/* Automatically generated file. Do not edit. * Format: ANSI C source code * Creator: McStas * Instrument: Laue_camera.instr (Laue_camera) * Date: Thu Apr 9 06:29:36 2026 * File: ./Laue_camera.c * CFLAGS= -DFUNNEL */ #ifndef WIN32 # ifndef OPENACC # define _GNU_SOURCE # endif # define _POSIX_C_SOURCE 200809L #endif /* In case of cl.exe on Windows, supppress warnings about #pragma acc */ #ifdef _MSC_EXTENSIONS #pragma warning(disable: 4068) #endif #define MCCODE_STRING " 3.99.99, git" #define FLAVOR "mcstas" #define FLAVOR_UPPER "MCSTAS" #define MC_USE_DEFAULT_MAIN #define MC_TRACE_ENABLED #include #include typedef double MCNUM; typedef struct {MCNUM x, y, z;} Coords; typedef MCNUM Rotation[3][3]; #define MCCODE_BASE_TYPES /* available random number generators */ #define _RNG_ALG_MT 1 #define _RNG_ALG_KISS 2 /* selection of random number generator */ #ifndef RNG_ALG # define RNG_ALG _RNG_ALG_KISS #endif #if RNG_ALG == _RNG_ALG_MT // MT #define randstate_t uint32_t #elif RNG_ALG == _RNG_ALG_KISS // KISS #define randstate_t uint64_t #endif #ifndef MC_NUSERVAR #define MC_NUSERVAR 10 #endif /* Particle JUMP control logic */ struct particle_logic_struct { int dummy; }; struct _struct_particle { double x,y,z; /* position [m] */ double vx,vy,vz; /* velocity [m/s] */ double sx,sy,sz; /* spin [0-1] */ int mcgravitation; /* gravity-state */ void *mcMagnet; /* precession-state */ int allow_backprop; /* allow backprop */ /* Generic Temporaries: */ /* May be used internally by components e.g. for special */ /* return-values from functions used in trace, thusreturned via */ /* particle struct. (Example: Wolter Conics from McStas, silicon slabs.) */ double _mctmp_a; /* temp a */ double _mctmp_b; /* temp b */ double _mctmp_c; /* temp c */ randstate_t randstate[7]; double t, p; /* time, event weight */ long long _uid; /* Unique event ID */ long _index; /* component index where to send this event */ long _absorbed; /* flag set to TRUE when this event is to be removed/ignored */ long _scattered; /* flag set to TRUE when this event has interacted with the last component instance */ long _restore; /* set to true if neutron event must be restored */ long flag_nocoordschange; /* set to true if particle is jumping */ struct particle_logic_struct _logic; // user variables and comp-injections: int scattered_flag_instr; }; typedef struct _struct_particle _class_particle; _class_particle _particle_global_randnbuse_var; _class_particle* _particle = &_particle_global_randnbuse_var; #pragma acc routine _class_particle mcgenstate(void); #pragma acc routine _class_particle mcsetstate(double x, double y, double z, double vx, double vy, double vz, double t, double sx, double sy, double sz, double p, int mcgravitation, void *mcMagnet, int mcallowbackprop); #pragma acc routine _class_particle mcgetstate(_class_particle mcneutron, double *x, double *y, double *z, double *vx, double *vy, double *vz, double *t, double *sx, double *sy, double *sz, double *p); extern int mcgravitation; /* flag to enable gravitation */ #pragma acc declare create ( mcgravitation ) _class_particle mcgenstate(void) { _class_particle particle = mcsetstate(0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, mcgravitation, NULL, 0); return(particle); } /*Generated user variable handlers:*/ #pragma acc routine double particle_getvar(_class_particle *p, char *name, int *suc); #ifdef OPENACC #pragma acc routine int str_comp(char *str1, char *str2); #endif double particle_getvar(_class_particle *p, char *name, int *suc){ #ifndef OPENACC #define str_comp strcmp #endif int s=1; double rval=0; if(!str_comp("x",name)){rval=p->x;s=0;} if(!str_comp("y",name)){rval=p->y;s=0;} if(!str_comp("z",name)){rval=p->z;s=0;} if(!str_comp("vx",name)){rval=p->vx;s=0;} if(!str_comp("vy",name)){rval=p->vy;s=0;} if(!str_comp("vz",name)){rval=p->vz;s=0;} if(!str_comp("sx",name)){rval=p->sx;s=0;} if(!str_comp("sy",name)){rval=p->sy;s=0;} if(!str_comp("sz",name)){rval=p->sz;s=0;} if(!str_comp("t",name)){rval=p->t;s=0;} if(!str_comp("p",name)){rval=p->p;s=0;} if(!str_comp("_mctmp_a",name)){rval=p->_mctmp_a;s=0;} if(!str_comp("_mctmp_b",name)){rval=p->_mctmp_b;s=0;} if(!str_comp("_mctmp_c",name)){rval=p->_mctmp_c;s=0;} if(!str_comp("scattered_flag_instr",name)){rval=*( (double *)(&(p->scattered_flag_instr)) );s=0;} if (suc!=0x0) {*suc=s;} return rval; } #pragma acc routine void* particle_getvar_void(_class_particle *p, char *name, int *suc); #ifdef OPENACC #pragma acc routine int str_comp(char *str1, char *str2); #endif void* particle_getvar_void(_class_particle *p, char *name, int *suc){ #ifndef OPENACC #define str_comp strcmp #endif int s=1; void* rval=0; if(!str_comp("x",name)) {rval=(void*)&(p->x); s=0;} if(!str_comp("y",name)) {rval=(void*)&(p->y); s=0;} if(!str_comp("z",name)) {rval=(void*)&(p->z); s=0;} if(!str_comp("vx",name)){rval=(void*)&(p->vx);s=0;} if(!str_comp("vy",name)){rval=(void*)&(p->vy);s=0;} if(!str_comp("vz",name)){rval=(void*)&(p->vz);s=0;} if(!str_comp("sx",name)){rval=(void*)&(p->sx);s=0;} if(!str_comp("sy",name)){rval=(void*)&(p->sy);s=0;} if(!str_comp("sz",name)){rval=(void*)&(p->sz);s=0;} if(!str_comp("t",name)) {rval=(void*)&(p->t); s=0;} if(!str_comp("p",name)) {rval=(void*)&(p->p); s=0;} if(!str_comp("scattered_flag_instr",name)){rval=(void*)&(p->scattered_flag_instr);s=0;} if (suc!=0x0) {*suc=s;} return rval; } #pragma acc routine int particle_setvar_void(_class_particle *, char *, void*); int particle_setvar_void(_class_particle *p, char *name, void* value){ #ifndef OPENACC #define str_comp strcmp #endif int rval=1; if(!str_comp("x",name)) {memcpy(&(p->x), value, sizeof(double)); rval=0;} if(!str_comp("y",name)) {memcpy(&(p->y), value, sizeof(double)); rval=0;} if(!str_comp("z",name)) {memcpy(&(p->z), value, sizeof(double)); rval=0;} if(!str_comp("vx",name)){memcpy(&(p->vx), value, sizeof(double)); rval=0;} if(!str_comp("vy",name)){memcpy(&(p->vy), value, sizeof(double)); rval=0;} if(!str_comp("vz",name)){memcpy(&(p->vz), value, sizeof(double)); rval=0;} if(!str_comp("sx",name)){memcpy(&(p->sx), value, sizeof(double)); rval=0;} if(!str_comp("sy",name)){memcpy(&(p->sy), value, sizeof(double)); rval=0;} if(!str_comp("sz",name)){memcpy(&(p->sz), value, sizeof(double)); rval=0;} if(!str_comp("p",name)) {memcpy(&(p->p), value, sizeof(double)); rval=0;} if(!str_comp("t",name)) {memcpy(&(p->t), value, sizeof(double)); rval=0;} if(!str_comp("scattered_flag_instr",name)){memcpy(&(p->scattered_flag_instr), value, sizeof(int )); rval=0;} return rval; } #pragma acc routine int particle_setvar_void_array(_class_particle *, char *, void*, int); int particle_setvar_void_array(_class_particle *p, char *name, void* value, int elements){ #ifndef OPENACC #define str_comp strcmp #endif int rval=1; return rval; } #pragma acc routine void particle_restore(_class_particle *p, _class_particle *p0); void particle_restore(_class_particle *p, _class_particle *p0) { p->x = p0->x; p->y = p0->y; p->z = p0->z; p->vx = p0->vx; p->vy = p0->vy; p->vz = p0->vz; p->sx = p0->sx; p->sy = p0->sy; p->sz = p0->sz; p->t = p0->t; p->p = p0->p; p->_absorbed=0; p->_restore=0; } #pragma acc routine double particle_getuservar_byid(_class_particle *p, int id, int *suc){ int s=1; double rval=0; switch(id){ case 0: { rval=*( (double *)(&(p->scattered_flag_instr)) );s=0;break;} } if (suc!=0x0) {*suc=s;} return rval; } #pragma acc routine void particle_uservar_init(_class_particle *p){ p->scattered_flag_instr=0; } #define MC_EMBEDDED_RUNTIME /* embedding file "mccode-r.h" */ /******************************************************************************* * * McCode, neutron/xray ray-tracing package * Copyright (C) 1997-2009, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Runtime: share/mccode-r.h * * %Identification * Written by: KN * Date: Aug 29, 1997 * Release: mcstas 3.99.99 * Version: $Revision$ * * Runtime system header for McStas/McXtrace. * * In order to use this library as an external library, the following variables * and macros must be declared (see details in the code) * * struct mcinputtable_struct mcinputtable[]; * int numipar; * metadata_table_t metadata_table[]; * int num_metadata; * char instrument_name[], instrument_source[]; * int traceenabled, defaultmain; * extern MCNUM mccomp_storein[]; * extern MCNUM mcAbsorbProp[]; * extern MCNUM mcScattered; * #define MCCODE_STRING "the McStas/McXtrace version" * * Usage: Automatically embbeded in the c code. * * $Id$ * *******************************************************************************/ #ifndef MCCODE_R_H #define MCCODE_R_H "$Revision$" #include #include #include #include #include #include #include #ifndef _MSC_EXTENSIONS #include #endif #include #include #include #ifdef OPENACC #include #ifndef GCCOFFLOAD #include #else #include #endif #pragma acc routine int noprintf(); #pragma acc routine size_t str_len(const char *s); #else #include #endif /* In case of gcc / clang, ensure to use the built-in isnan/isinf functions */ #if defined(__GNUC__) || defined(__clang__) # ifdef isnan # undef isnan # endif # ifdef isinf # undef isinf # endif # define isnan(x) __builtin_isnan(x) # define isinf(x) __builtin_isinf(x) #endif #ifdef _MSC_EXTENSIONS #ifndef _TIMES_H #define _TIMES_H #if defined(WIN32) || defined(_WIN32) #include #include #include int gettimeofday(struct timeval* t,void* timezone); #define __need_clock_t #include /* Structure describing CPU time used by a process and its children. */ struct tms { clock_t tms_utime; /* User CPU time. */ clock_t tms_stime; /* System CPU time. */ clock_t tms_cutime; /* User CPU time of dead children. */ clock_t tms_cstime; /* System CPU time of dead children. */ }; /* Store the CPU time used by this process and all its dead children (and their dead children) in BUFFER. Return the elapsed real time, or (clock_t) -1 for errors. All times are in CLK_TCKths of a second. */ clock_t times (struct tms *__buffer); typedef long long suseconds_t ; int gettimeofday(struct timeval* t,void* timezone) { struct _timeb timebuffer; _ftime( &timebuffer ); t->tv_sec=timebuffer.time; t->tv_usec=1000*timebuffer.millitm; return 0; } clock_t times (struct tms *__buffer) { __buffer->tms_utime = clock(); __buffer->tms_stime = 0; __buffer->tms_cstime = 0; __buffer->tms_cutime = 0; return __buffer->tms_utime; } #endif #endif #endif /* If the runtime is embedded in the simulation program, some definitions can be made static. */ #ifdef MC_EMBEDDED_RUNTIME # define mcstatic #else # define mcstatic #endif #ifdef __dest_os # if (__dest_os == __mac_os) # define MAC # endif #endif #ifdef __FreeBSD__ # define NEED_STAT_H #endif #if defined(__APPLE__) && defined(__GNUC__) # define NEED_STAT_H #endif #if defined(WIN32) || defined(_WIN32) # define NEED_STAT_H # define NEED_TYPES_H #endif #ifdef NEED_STAT_H # include #endif #ifdef NEED_TYPES_H # include #endif #ifndef MC_PATHSEP_C #if defined(WIN32) || defined(_WIN32) # define MC_PATHSEP_C '\\' # define MC_PATHSEP_S "\\" # else /* !WIN32 */ # define MC_PATHSEP_C '/' # define MC_PATHSEP_S "/" # endif /* !WIN32 */ #endif /* MC_PATHSEP_C */ #if defined(WIN32) || defined(_WIN32) #if defined _MSC_VER #include #elif defined __GNUC__ #include #include #include #endif #define mkdir(a,b) mkdir(a) #define getpid() _getpid() #endif /* the version string is replaced when building distribution with mkdist */ #ifndef MCCODE_STRING # define MCCODE_STRING " 3.99.99, git" #endif #ifndef MCCODE_DATE # define MCCODE_DATE "git" #endif #ifndef MCCODE_VERSION # define MCCODE_VERSION "3.99.99" #endif #ifndef __MCCODE_VERSION__ #define __MCCODE_VERSION__ 399099L #endif #ifndef MCCODE_NAME # define MCCODE_NAME "mcstas" #endif #ifndef MCCODE_PARTICLE # define MCCODE_PARTICLE "neutron" #endif #ifndef MCCODE_PARTICLE_CODE # define MCCODE_PARTICLE_CODE 2112 #endif #ifndef MCCODE_LIBENV # define MCCODE_LIBENV "MCSTAS" #endif #ifndef FLAVOR_UPPER # define FLAVOR_UPPER MCCODE_NAME #endif #ifdef MC_PORTABLE # ifndef NOSIGNALS # define NOSIGNALS 1 # endif #endif #ifdef MAC # ifndef NOSIGNALS # define NOSIGNALS 1 # endif #endif #if (USE_MPI == 0) # undef USE_MPI #endif #ifdef USE_MPI /* default is to disable signals with MPI, as MPICH uses them to communicate */ # ifndef NOSIGNALS # define NOSIGNALS 1 # endif #endif #ifdef OPENACC /* default is to disable signals with PGI/OpenACC */ # ifndef NOSIGNALS # define NOSIGNALS 1 # endif #endif #ifndef OPENACC # ifndef USE_OFF /* default is to enable OFF when not using PGI/OpenACC */ # define USE_OFF # endif # ifndef CPUFUNNEL /* allow to enable FUNNEL-mode on CPU */ # ifdef FUNNEL /* by default disable FUNNEL-mode when not using PGI/OpenACC */ # undef FUNNEL # endif # endif #endif #if (NOSIGNALS == 0) # undef NOSIGNALS #endif /** Header information for metadata-r.c ----------------------------------------------------------------------------- */ struct metadata_table_struct { /* stores metadata strings from components */ char * source; // component name which provided the metadata char * name; // the name of the metadata char * type; // the MIME type of the metadata (free form, valid identifier) char * value; // the metadata string contents }; typedef struct metadata_table_struct metadata_table_t; char * metadata_table_key_component(char* key); char * metadata_table_key_literal(char * key); int metadata_table_defined(int, metadata_table_t *, char *); char * metadata_table_name(int, metadata_table_t *, char *); char * metadata_table_type(int, metadata_table_t *, char *); char * metadata_table_literal(int, metadata_table_t *, char *); void metadata_table_print_all_keys(int no, metadata_table_t * tab); int metadata_table_print_all_components(int no, metadata_table_t * tab); int metadata_table_print_component_keys(int no, metadata_table_t * tab, char * key); /* -------------------------------------------------------------------------- Header information for metadata-r.c --- */ /* Note: the enum instr_formal_types definition MUST be kept synchronized with the one in mccode.h and with the instr_formal_type_names array in cogen.c. */ enum instr_formal_types { instr_type_int, instr_type_string, instr_type_char, instr_type_vector, instr_type_double }; struct mcinputtable_struct { /* defines instrument parameters */ char *name; /* name of parameter */ void *par; /* pointer to instrument parameter (variable) */ enum instr_formal_types type; char *val; /* default value */ char *unit; /* expected unit for parameter; informational only */ }; #ifndef MCCODE_BASE_TYPES typedef double MCNUM; typedef struct {MCNUM x, y, z;} Coords; typedef MCNUM Rotation[3][3]; #endif /* the following variables are defined in the McStas generated C code but should be defined externally in case of independent library usage */ #ifndef DANSE extern struct mcinputtable_struct mcinputtable[]; /* list of instrument parameters */ extern int numipar; /* number of instrument parameters */ extern metadata_table_t metadata_table[]; /* list of component-defined string metadata */ extern int num_metadata; /* number of component-defined string metadata */ extern char instrument_name[], instrument_source[]; /* instrument name and filename */ extern char *instrument_exe; /* executable path = argv[0] or NULL */ extern char instrument_code[]; /* contains the initial 'instr' file */ #ifndef MC_ANCIENT_COMPATIBILITY extern int traceenabled, defaultmain; #endif #endif /* Useful macros ============================================================ */ /* SECTION: Dynamic Arrays */ typedef int* IArray1d; IArray1d create_iarr1d(int n); void destroy_iarr1d(IArray1d a); typedef int** IArray2d; IArray2d create_iarr2d(int nx, int ny); void destroy_iarr2d(IArray2d a); typedef int*** IArray3d; IArray3d create_iarr3d(int nx, int ny, int nz); void destroy_iarr3d(IArray3d a); typedef double* DArray1d; DArray1d create_darr1d(int n); void destroy_darr1d(DArray1d a); typedef double** DArray2d; DArray2d create_darr2d(int nx, int ny); void destroy_darr2d(DArray2d a); typedef double*** DArray3d; DArray3d create_darr3d(int nx, int ny, int nz); void destroy_darr3d(DArray3d a); /* MPI stuff */ #ifdef USE_MPI #include "mpi.h" #ifdef OMPI_MPI_H /* openmpi does not use signals: we may install our sighandler */ #ifndef OPENACC /* ... but only if we are not also running on GPU */ #undef NOSIGNALS #endif #endif /* * MPI_MASTER(i): * execution of i only on master node */ #define MPI_MASTER(statement) { \ if(mpi_node_rank == mpi_node_root)\ { statement; } \ } #ifndef MPI_REDUCE_BLOCKSIZE #define MPI_REDUCE_BLOCKSIZE 100000 #endif int mc_MPI_Sum(double* buf, long count); int mc_MPI_Send(void *sbuf, long count, MPI_Datatype dtype, int dest); int mc_MPI_Recv(void *rbuf, long count, MPI_Datatype dtype, int source); /* MPI_Finalize exits gracefully and should be preferred to MPI_Abort */ #define exit(code) do { \ MPI_Finalize(); \ exit(code); \ } while(0) #else /* !USE_MPI */ #define MPI_MASTER(instr) instr #endif /* USE_MPI */ #ifdef USE_MPI static int mpi_node_count; #endif #ifdef USE_THREADS /* user want threads */ #error Threading (USE_THREADS) support has been removed for very poor efficiency. Use MPI/SSH grid instead. #endif void mcset_ncount(unsigned long long count); /* wrapper to get mcncount */ #pragma acc routine unsigned long long int mcget_ncount(void); /* wrapper to set mcncount */ unsigned long long mcget_run_num(void); /* wrapper to get mcrun_num=0:mcncount-1 */ /* Following part is only embedded when not redundant with mccode.h ========= */ #ifndef MCCODE_H #ifndef NOSIGNALS #include char *mcsig_message; #define SIG_MESSAGE(msg) mcsig_message=(char *)(msg); #else #define SIG_MESSAGE(...) #endif /* !NOSIGNALS */ /* Useful macros and constants ============================================== */ #ifndef FLT_MAX #define FLT_MAX 3.40282347E+38F /* max decimal value of a "float" */ #endif #ifndef MIN #define MIN(a, b) (((a) < (b)) ? (a) : (b)) #endif #ifndef MAX #define MAX(a, b) (((a) > (b)) ? (a) : (b)) #endif #ifndef SQR #define SQR(x) ( (x) * (x) ) #endif #ifndef SIGN #define SIGN(x) (((x)>0.0)?(1):(-1)) #endif # ifndef M_E # define M_E 2.71828182845904523536 // e # endif # ifndef M_LOG2E # define M_LOG2E 1.44269504088896340736 // log2(e) # endif # ifndef M_LOG10E # define M_LOG10E 0.434294481903251827651 // log10(e) # endif # ifndef M_LN2 # define M_LN2 0.693147180559945309417 // ln(2) # endif # ifndef M_LN10 # define M_LN10 2.30258509299404568402 // ln(10) # endif # ifndef M_PI # define M_PI 3.14159265358979323846 // pi # endif # ifndef PI # define PI M_PI // pi - also used in some places # endif # ifndef M_PI_2 # define M_PI_2 1.57079632679489661923 // pi/2 # endif # ifndef M_PI_4 # define M_PI_4 0.785398163397448309616 // pi/4 # endif # ifndef M_1_PI # define M_1_PI 0.318309886183790671538 // 1/pi # endif # ifndef M_2_PI # define M_2_PI 0.636619772367581343076 // 2/pi # endif # ifndef M_2_SQRTPI # define M_2_SQRTPI 1.12837916709551257390 // 2/sqrt(pi) # endif # ifndef M_SQRT2 # define M_SQRT2 1.41421356237309504880 // sqrt(2) # endif # ifndef M_SQRT1_2 # define M_SQRT1_2 0.707106781186547524401 // 1/sqrt(2) # endif #define RAD2MIN ((180*60)/PI) #define MIN2RAD (PI/(180*60)) #define DEG2RAD (PI/180) #define RAD2DEG (180/PI) #define FWHM2RMS 0.424660900144 /* Convert between full-width-half-max and */ #define RMS2FWHM 2.35482004503 /* root-mean-square (standard deviation) */ #define HBAR 1.05457168e-34 /* [Js] h bar Planck constant CODATA 2002 */ #define MNEUTRON 1.67492728e-27 /* [kg] mass of neutron CODATA 2002 */ #define GRAVITY 9.81 /* [m/s^2] gravitational acceleration */ #define NA 6.02214179e23 /* [#atoms/g .mole] Avogadro's number*/ #define UNSET nan("0x6E6F74736574") int nans_match(double, double); int is_unset(double); int is_valid(double); int is_set(double); int all_unset(int n, ...); int all_set(int n, ...); int any_unset(int n, ...); int any_set(int n, ...); /* wrapper to get absolute and relative position of comp */ /* mccomp_posa and mccomp_posr are defined in McStas generated C code */ #define POS_A_COMP_INDEX(index) (instrument->_position_absolute[index]) #define POS_R_COMP_INDEX(index) (instrument->_position_relative[index]) /* setting parameters based COMP_GETPAR (returned as pointer) */ /* compname must be given as a string, type and par are symbols. */ #define COMP_GETPAR3(type, compname, par) \ &( ((_class_ ## type ##_parameters *) _getvar_parameters(compname))->par ) /* the body of this function depends on component instances, and is cogen'd */ void* _getvar_parameters(char* compname); int _getcomp_index(char* compname); /* Note: The two-stage approach to COMP_GETPAR is NOT redundant; without it, * after #define C sample, COMP_GETPAR(C,x) would refer to component C, not to * component sample. Such are the joys of ANSI C. * Anyway the usage of COMP_GETPAR requires that we use sometimes bare names... * NOTE: This can ONLY be used in instrument descriptions, not components. */ #define COMP_GETPAR2(comp, par) (_ ## comp ## _var._parameters.par) #define COMP_GETPAR(comp, par) COMP_GETPAR2(comp,par) #define INSTRUMENT_GETPAR(par) (_instrument_var._parameters.par) /* Current component name, index, position and orientation */ /* These macros work because, using class-based functions, "comp" is usually * the local variable of the active/current component. */ #define INDEX_CURRENT_COMP (_comp->_index) #define NAME_CURRENT_COMP (_comp->_name) #define TYPE_CURRENT_COMP (_comp->_type) #define POS_A_CURRENT_COMP (_comp->_position_absolute) #define POS_R_CURRENT_COMP (_comp->_position_relative) #define ROT_A_CURRENT_COMP (_comp->_rotation_absolute) #define ROT_R_CURRENT_COMP (_comp->_rotation_relative) #define NAME_INSTRUMENT (instrument->_name) /* MCDISPLAY/trace and debugging message sent to stdout */ #ifdef MC_TRACE_ENABLED #define DEBUG #endif #ifdef DEBUG #define DEBUG_INSTR() if(!mcdotrace); else { printf("INSTRUMENT:\n"); printf("Instrument '%s' (%s)\n", instrument_name, instrument_source); } #define DEBUG_COMPONENT(name,c,t) if(!mcdotrace); else {\ printf("COMPONENT: \"%s\"\n" \ "POS: %g, %g, %g, %g, %g, %g, %g, %g, %g, %g, %g, %g\n", \ name, c.x, c.y, c.z, t[0][0], t[0][1], t[0][2], \ t[1][0], t[1][1], t[1][2], t[2][0], t[2][1], t[2][2]); \ printf("Component %30s AT (%g,%g,%g)\n", name, c.x, c.y, c.z); } #define DEBUG_INSTR_END() if(!mcdotrace); else printf("INSTRUMENT END:\n"); #define DEBUG_ENTER() if(!mcdotrace); else printf("ENTER:\n"); #define DEBUG_COMP(c) if(!mcdotrace); else printf("COMP: \"%s\"\n", c); #define DEBUG_LEAVE() if(!mcdotrace); else printf("LEAVE:\n"); #define DEBUG_ABSORB() if(!mcdotrace); else printf("ABSORB:\n"); #else #define DEBUG_INSTR() #define DEBUG_COMPONENT(name,c,t) #define DEBUG_INSTR_END() #define DEBUG_ENTER() #define DEBUG_COMP(c) #define DEBUG_LEAVE() #define DEBUG_ABSORB() #endif // mcDEBUG_STATE and mcDEBUG_SCATTER are defined by mcstas-r.h and mcxtrace-r.h #ifdef TEST #define test_printf printf #else #define test_printf while(0) printf #endif /* send MCDISPLAY message to stdout to show gemoetry */ void mcdis_magnify(char *what); void mcdis_line(double x1, double y1, double z1, double x2, double y2, double z2); void mcdis_dashed_line(double x1, double y1, double z1, double x2, double y2, double z2, int n); void mcdis_multiline(int count, ...); void mcdis_rectangle(char* plane, double x, double y, double z, double width, double height); void mcdis_box(double x, double y, double z, double width, double height, double length, double thickness, double nx, double ny, double nz); void mcdis_circle(char *plane, double x, double y, double z, double r); void mcdis_Circle(double x, double y, double z, double r, double nx, double ny, double nz); void mcdis_cylinder( double x, double y, double z, double r, double height, double thickness, double nx, double ny, double nz); void mcdis_cone( double x, double y, double z, double r, double height, double nx, double ny, double nz); void mcdis_sphere(double x, double y, double z, double r); /* random number generation. ================================================ */ #if RNG_ALG == _RNG_ALG_MT // MT (currently not functional for GPU) # define MC_RAND_MAX ((uint32_t)0xffffffffUL) # define RANDSTATE_LEN 1 # define srandom(seed) mt_srandom_empty() # define random() mt_random() # define _random() mt_random() #elif RNG_ALG == _RNG_ALG_KISS // KISS # ifndef UINT64_MAX # define UINT64_MAX ((uint64_t)0xffffffffffffffffULL) # endif # define MC_RAND_MAX UINT64_MAX # define RANDSTATE_LEN 7 # define srandom(seed) kiss_srandom(_particle->randstate, seed) # define random() kiss_random(_particle->randstate) # define _random() kiss_random(state) #endif #pragma acc routine double _randnorm2(randstate_t* state); // Component writer interface #define randnorm() _randnorm2(_particle->randstate) // NOTE: can't use _randnorm on GPU #define rand01() _rand01(_particle->randstate) #define randpm1() _randpm1(_particle->randstate) #define rand0max(p1) _rand0max(p1, _particle->randstate) #define randminmax(p1, p2) _randminmax(p1, p2, _particle->randstate) #define randtriangle() _randtriangle(_particle->randstate) // Mersenne Twister rng uint32_t mt_random(void); void mt_srandom (uint32_t x); void mt_srandom_empty(); // KISS rng #pragma acc routine uint64_t *kiss_srandom(uint64_t state[7], uint64_t seed); #pragma acc routine uint64_t kiss_random(uint64_t state[7]); // Scrambler / hash function #pragma acc routine seq randstate_t _hash(randstate_t x); // internal RNG (transforms) interface #pragma acc routine double _rand01(randstate_t* state); #pragma acc routine double _randpm1(randstate_t* state); #pragma acc routine double _rand0max(double max, randstate_t* state); #pragma acc routine double _randminmax(double min, double max, randstate_t* state); #pragma acc routine double _randtriangle(randstate_t* state); #ifdef USE_OPENCL #include "opencl-lib.h" #include "opencl-lib.c" #endif #ifndef DANSE int init(void); int raytrace(_class_particle*); int save(FILE *); int finally(void); int display(void); #endif /* GPU related algorithms =================================================== */ /* * Divide-and-conquer strategy for parallel sort absorbed last. */ #ifdef FUNNEL long sort_absorb_last(_class_particle* particles, _class_particle* pbuffer, long len, long buffer_len, long flag_split, long* multiplier); #endif long sort_absorb_last_serial(_class_particle* particles, long len); /* simple vector algebra ==================================================== */ #define vec_prod(x, y, z, x1, y1, z1, x2, y2, z2) \ vec_prod_func(&x, &y, &z, x1, y1, z1, x2, y2, z2) #pragma acc routine seq mcstatic void vec_prod_func(double *x, double *y, double *z, double x1, double y1, double z1, double x2, double y2, double z2); #pragma acc routine seq mcstatic double scalar_prod( double x1, double y1, double z1, double x2, double y2, double z2); #pragma acc routine seq mcstatic void norm_func(double *x, double *y, double *z); #define NORM(x,y,z) norm_func(&x, &y, &z) #pragma acc routine seq void normal_vec(double *nx, double *ny, double *nz, double x, double y, double z); /** * Rotate the vector vx,vy,vz psi radians around the vector ax,ay,az * and put the result in x,y,z. */ #define rotate(x, y, z, vx, vy, vz, phi, ax, ay, az) \ do { \ double mcrt_tmpx = (ax), mcrt_tmpy = (ay), mcrt_tmpz = (az); \ double mcrt_vp, mcrt_vpx, mcrt_vpy, mcrt_vpz; \ double mcrt_vnx, mcrt_vny, mcrt_vnz, mcrt_vn1x, mcrt_vn1y, mcrt_vn1z; \ double mcrt_bx, mcrt_by, mcrt_bz; \ double mcrt_cos, mcrt_sin; \ NORM(mcrt_tmpx, mcrt_tmpy, mcrt_tmpz); \ mcrt_vp = scalar_prod((vx), (vy), (vz), mcrt_tmpx, mcrt_tmpy, mcrt_tmpz); \ mcrt_vpx = mcrt_vp*mcrt_tmpx; \ mcrt_vpy = mcrt_vp*mcrt_tmpy; \ mcrt_vpz = mcrt_vp*mcrt_tmpz; \ mcrt_vnx = (vx) - mcrt_vpx; \ mcrt_vny = (vy) - mcrt_vpy; \ mcrt_vnz = (vz) - mcrt_vpz; \ vec_prod(mcrt_bx, mcrt_by, mcrt_bz, \ mcrt_tmpx, mcrt_tmpy, mcrt_tmpz, mcrt_vnx, mcrt_vny, mcrt_vnz); \ mcrt_cos = cos((phi)); mcrt_sin = sin((phi)); \ mcrt_vn1x = mcrt_vnx*mcrt_cos + mcrt_bx*mcrt_sin; \ mcrt_vn1y = mcrt_vny*mcrt_cos + mcrt_by*mcrt_sin; \ mcrt_vn1z = mcrt_vnz*mcrt_cos + mcrt_bz*mcrt_sin; \ (x) = mcrt_vpx + mcrt_vn1x; \ (y) = mcrt_vpy + mcrt_vn1y; \ (z) = mcrt_vpz + mcrt_vn1z; \ } while(0) /** * Mirror (xyz) in the plane given by the point (rx,ry,rz) and normal (nx,ny,nz) * * TODO: This define is seemingly never used... */ #define mirror(x,y,z,rx,ry,rz,nx,ny,nz) \ do { \ double mcrt_tmpx= (nx), mcrt_tmpy = (ny), mcrt_tmpz = (nz); \ double mcrt_tmpt; \ NORM(mcrt_tmpx, mcrt_tmpy, mcrt_tmpz); \ mcrt_tmpt=scalar_prod((rx),(ry),(rz),mcrt_tmpx,mcrt_tmpy,mcrt_tmpz); \ (x) = rx -2 * mcrt_tmpt*mcrt_rmpx; \ (y) = ry -2 * mcrt_tmpt*mcrt_rmpy; \ (z) = rz -2 * mcrt_tmpt*mcrt_rmpz; \ } while (0) #pragma acc routine Coords coords_set(MCNUM x, MCNUM y, MCNUM z); #pragma acc routine Coords coords_get(Coords a, MCNUM *x, MCNUM *y, MCNUM *z); #pragma acc routine Coords coords_add(Coords a, Coords b); #pragma acc routine Coords coords_sub(Coords a, Coords b); #pragma acc routine Coords coords_neg(Coords a); #pragma acc routine Coords coords_scale(Coords b, double scale); #pragma acc routine double coords_sp(Coords a, Coords b); #pragma acc routine Coords coords_xp(Coords b, Coords c); #pragma acc routine double coords_len(Coords a); #pragma acc routine seq void coords_print(Coords a); #pragma acc routine seq mcstatic void coords_norm(Coords* c); #pragma acc routine seq void rot_set_rotation(Rotation t, double phx, double phy, double phz); #pragma acc routine seq int rot_test_identity(Rotation t); #pragma acc routine seq void rot_mul(Rotation t1, Rotation t2, Rotation t3); #pragma acc routine seq void rot_copy(Rotation dest, Rotation src); #pragma acc routine seq void rot_transpose(Rotation src, Rotation dst); #pragma acc routine seq Coords rot_apply(Rotation t, Coords a); #pragma acc routine seq void mccoordschange(Coords a, Rotation t, _class_particle *particle); #pragma acc routine seq void mccoordschange_polarisation(Rotation t, double *sx, double *sy, double *sz); double mcestimate_error(double N, double p1, double p2); void mcreadparams(void); /* this is now in mcstas-r.h and mcxtrace-r.h as the number of state parameters is no longer equal */ _class_particle mcgenstate(void); // trajectory/shape intersection routines #pragma acc routine seq int inside_rectangle(double, double, double, double); #pragma acc routine seq int box_intersect(double *dt_in, double *dt_out, double x, double y, double z, double vx, double vy, double vz, double dx, double dy, double dz); #pragma acc routine seq int cylinder_intersect(double *t0, double *t1, double x, double y, double z, double vx, double vy, double vz, double r, double h); #pragma acc routine seq int sphere_intersect(double *t0, double *t1, double x, double y, double z, double vx, double vy, double vz, double r); // second order equation roots #pragma acc routine seq int solve_2nd_order(double *t1, double *t2, double A, double B, double C); // random vector generation to shape // defines silently introducing _particle as the last argument #define randvec_target_circle(xo, yo, zo, solid_angle, xi, yi, zi, radius) \ _randvec_target_circle(xo, yo, zo, solid_angle, xi, yi, zi, radius, _particle) #define randvec_target_rect_angular(xo, yo, zo, solid_angle, xi, yi, zi, height, width, A) \ _randvec_target_rect_angular(xo, yo, zo, solid_angle, xi, yi, zi, height, width, A, _particle) #define randvec_target_rect_real(xo, yo, zo, solid_angle, xi, yi, zi, height, width, A, lx, ly, lz, order) \ _randvec_target_rect_real(xo, yo, zo, solid_angle, xi, yi, zi, height, width, A, lx, ly, lz, order, _particle) // defines forwarding to "inner" functions #define randvec_target_sphere randvec_target_circle #define randvec_target_rect(p0,p1,p2,p3,p4,p5,p6,p7,p8,p9) \ randvec_target_rect_real(p0,p1,p2,p3,p4,p5,p6,p7,p8,p9,0,0,0,1) // headers for randvec #pragma acc routine seq void _randvec_target_circle(double *xo, double *yo, double *zo, double *solid_angle, double xi, double yi, double zi, double radius, _class_particle* _particle); #pragma acc routine seq void _randvec_target_rect_angular(double *xo, double *yo, double *zo, double *solid_angle, double xi, double yi, double zi, double height, double width, Rotation A, _class_particle* _particle); #pragma acc routine seq void _randvec_target_rect_real(double *xo, double *yo, double *zo, double *solid_angle, double xi, double yi, double zi, double height, double width, Rotation A, double lx, double ly, double lz, int order, _class_particle* _particle); // this is the main() int mccode_main(int argc, char *argv[]); #endif /* !MCCODE_H */ #ifndef MCCODE_R_IO_H #define MCCODE_R_IO_H "$Revision$" #if (USE_NEXUS == 0) #undef USE_NEXUS #endif #ifndef CHAR_BUF_LENGTH #define CHAR_BUF_LENGTH 1024 #endif /* I/O section part ========================================================= */ /* ========================================================================== */ /* MCCODE_R_IO_C */ /* ========================================================================== */ /* main DETECTOR structure which stores most information to write to data files */ struct mcdetector_struct { char filename[CHAR_BUF_LENGTH]; /* file name of monitor */ double Position[3]; /* position of detector component*/ char position[CHAR_BUF_LENGTH]; /* position of detector component (string)*/ Rotation Rotation; /* position of detector component*/ char options[CHAR_BUF_LENGTH]; /* Monitor_nD style list-mode'options' (string)*/ char component[CHAR_BUF_LENGTH]; /* component instance name */ char nexuscomp[CHAR_BUF_LENGTH]; /* component naming in NeXus/HDF case */ char instrument[CHAR_BUF_LENGTH]; /* instrument name */ char type[CHAR_BUF_LENGTH]; /* data type, e.g. 0d, 1d, 2d, 3d */ char user[CHAR_BUF_LENGTH]; /* user name, e.g. HOME */ char date[CHAR_BUF_LENGTH]; /* date of simulation end/write time */ char title[CHAR_BUF_LENGTH]; /* title of detector */ char xlabel[CHAR_BUF_LENGTH]; /* X axis label */ char ylabel[CHAR_BUF_LENGTH]; /* Y axis label */ char zlabel[CHAR_BUF_LENGTH]; /* Z axis label */ char xvar[CHAR_BUF_LENGTH]; /* X variable name */ char yvar[CHAR_BUF_LENGTH]; /* Y variable name */ char zvar[CHAR_BUF_LENGTH]; /* Z variable name */ char ncount[CHAR_BUF_LENGTH]; /* number of events initially generated */ char limits[CHAR_BUF_LENGTH]; /* X Y Z limits, e.g. [xmin xmax ymin ymax zmin zmax] */ char variables[CHAR_BUF_LENGTH]; /* variables written into data block */ char statistics[CHAR_BUF_LENGTH]; /* center, mean and half width along axis */ char signal[CHAR_BUF_LENGTH]; /* min max and mean of signal (data block) */ char values[CHAR_BUF_LENGTH]; /* integrated values e.g. [I I_err N] */ double xmin,xmax; /* min max of axes */ double ymin,ymax; double zmin,zmax; double intensity; /* integrated values for data block */ double error; double events; double min; /* statistics for data block */ double max; double mean; double centerX; /* statistics for axes */ double halfwidthX; double centerY; double halfwidthY; int rank; /* dimensionaly of monitor, e.g. 0 1 2 3 */ char istransposed; /* flag to transpose matrix for some formats */ long m,n,p; /* dimensions of data block and along axes */ long date_l; /* same as date, but in sec since 1970 */ double *p0, *p1, *p2; /* pointers to saved data, NULL when freed */ char format[CHAR_BUF_LENGTH]; /* format for file generation */ }; typedef struct mcdetector_struct MCDETECTOR; static char *dirname = NULL; /* name of output directory */ static char *siminfo_name = "mccode"; /* default output sim file name */ char *mcformat = NULL; /* NULL (default) or a specific format */ /* file I/O definitions and function prototypes */ #ifndef MC_EMBEDDED_RUNTIME /* the mcstatic variables (from mccode-r.c) */ extern FILE * siminfo_file; /* handle to the output siminfo file */ extern int mcgravitation; /* flag to enable gravitation */ extern int mcdotrace; /* flag to print MCDISPLAY messages */ #else mcstatic FILE *siminfo_file = NULL; #endif /* I/O function prototypes ================================================== */ // from msysgit: https://code.google.com/p/msysgit/source/browse/compat/strcasestr.c char *strcasestr(const char *haystack, const char *needle); /* output functions */ MCDETECTOR mcdetector_out_0D(char *t, double p0, double p1, double p2, char *c, Coords pos, Rotation rot, int index); MCDETECTOR mcdetector_out_1D(char *t, char *xl, char *yl, char *xvar, double x1, double x2, long n, double *p0, double *p1, double *p2, char *f, char *c, Coords pos, Rotation rot, int index); MCDETECTOR mcdetector_out_2D(char *t, char *xl, char *yl, double x1, double x2, double y1, double y2, long m, long n, double *p0, double *p1, double *p2, char *f, char *c, Coords pos, Rotation rot, int index); MCDETECTOR mcdetector_out_list(char *t, char *xl, char *yl, long m, long n, double *p1, char *f, char *c, Coords posa, Rotation rot,char* options, int index); /* wrappers to output functions, that automatically set NAME and POSITION */ #define DETECTOR_OUT(p0,p1,p2) mcdetector_out_0D(NAME_CURRENT_COMP,p0,p1,p2,NAME_CURRENT_COMP,POS_A_CURRENT_COMP,ROT_A_CURRENT_COMP,INDEX_CURRENT_COMP) #define DETECTOR_OUT_0D(t,p0,p1,p2) mcdetector_out_0D(t,p0,p1,p2,NAME_CURRENT_COMP,POS_A_CURRENT_COMP,ROT_A_CURRENT_COMP,INDEX_CURRENT_COMP) #define DETECTOR_OUT_1D(t,xl,yl,xvar,x1,x2,n,p0,p1,p2,f) \ mcdetector_out_1D(t,xl,yl,xvar,x1,x2,n,p0,p1,p2,f,NAME_CURRENT_COMP,POS_A_CURRENT_COMP,ROT_A_CURRENT_COMP,INDEX_CURRENT_COMP) #define DETECTOR_OUT_2D(t,xl,yl,x1,x2,y1,y2,m,n,p0,p1,p2,f) \ mcdetector_out_2D(t,xl,yl,x1,x2,y1,y2,m,n,p0,p1,p2,f,NAME_CURRENT_COMP,POS_A_CURRENT_COMP,ROT_A_CURRENT_COMP,INDEX_CURRENT_COMP) #ifdef USE_NEXUS #include "napi.h" NXhandle nxhandle; #endif #endif /* ndef MCCODE_R_IO_H */ #endif /* MCCODE_R_H */ /* End of file "mccode-r.h". */ /* embedding file "mcstas-r.h" */ /******************************************************************************* * * McStas, neutron ray-tracing package * Copyright (C) 1997-2009, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Runtime: share/mcstas-r.h * * %Identification * Written by: KN * Date: Aug 29, 1997 * Release: McStas X.Y * Version: $Revision$ * * Runtime system header for McStas. * * In order to use this library as an external library, the following variables * and macros must be declared (see details in the code) * * struct mcinputtable_struct mcinputtable[]; * int mcnumipar; * char instrument_name[], instrument_source[]; * int traceenabled, defaultmain; * extern MCNUM mccomp_storein[]; * extern MCNUM instrument.counter_AbsorbProp[]; * extern MCNUM mcScattered; * #define MCCODE_STRING "the McStas version" * * Usage: Automatically embbeded in the c code. * * $Id$ * *******************************************************************************/ #ifndef MCSTAS_R_H #define MCSTAS_R_H "$Revision$" /* Following part is only embedded when not redundent with mcstas.h */ #ifndef MCCODE_H #define AA2MS 629.622368 /* Convert k[1/AA] to v[m/s] */ #define MS2AA 1.58825361e-3 /* Convert v[m/s] to k[1/AA] */ #define K2V AA2MS #define V2K MS2AA #define Q2V AA2MS #define V2Q MS2AA #define SE2V 437.393377 /* Convert sqrt(E)[meV] to v[m/s] */ #define VS2E 5.22703725e-6 /* Convert (v[m/s])**2 to E[meV] */ #define SCATTER0 do {DEBUG_SCATTER(); SCATTERED++;} while(0) #define SCATTER SCATTER0 #define JUMPTOCOMP(comp) mcneutron->_index = INDEX_COMP(comp); #define MAGNET_ON \ do { \ mcMagnet = 1; \ } while(0) #define MAGNET_OFF \ do { \ mcMagnet = 0; \ } while(0) #define ALLOW_BACKPROP \ do { \ allow_backprop = 1; \ } while(0) #define DISALLOW_BACKPROP \ do { \ allow_backprop = 0; \ } while(0) #define PROP_MAGNET(dt) \ do { \ } while (0) /* change coordinates from local system to magnet system */ /* Rotation rotLM, rotTemp; \ Coords posLM = coords_sub(POS_A_CURRENT_COMP, mcMagnetPos); \ rot_transpose(ROT_A_CURRENT_COMP, rotTemp); \ rot_mul(rotTemp, mcMagnetRot, rotLM); \ mcMagnetPrecession(x, y, z, t, vx, vy, vz, \ &sx, &sy, &sz, dt, posLM, rotLM); \ } while(0) */ #define mcPROP_DT(dt) \ do { \ if (mcMagnet && dt > 0) PROP_MAGNET(dt);\ x += vx*(dt); \ y += vy*(dt); \ z += vz*(dt); \ t += (dt); \ if (isnan(p) || isinf(p)) { ABSORB; }\ } while(0) /* ADD: E. Farhi, Aug 6th, 2001 PROP_GRAV_DT propagation with acceleration */ #define PROP_GRAV_DT(dt, Ax, Ay, Az) \ do { \ if(dt < 0 && allow_backprop == 0) { ABSORB; }\ if (mcMagnet) /*printf("Spin precession gravity\n")*/; \ x += vx*(dt) + (Ax)*(dt)*(dt)/2; \ y += vy*(dt) + (Ay)*(dt)*(dt)/2; \ z += vz*(dt) + (Az)*(dt)*(dt)/2; \ vx += (Ax)*(dt); \ vy += (Ay)*(dt); \ vz += (Az)*(dt); \ t += (dt); \ DISALLOW_BACKPROP;\ } while(0) #define PROP_DT(dt) \ do { \ if(dt < 0 && allow_backprop == 0) { RESTORE=1; ABSORB; }; \ if (mcgravitation) { Coords mcLocG; double mc_gx, mc_gy, mc_gz; \ mcLocG = rot_apply(ROT_A_CURRENT_COMP, coords_set(0,-GRAVITY,0)); \ coords_get(mcLocG, &mc_gx, &mc_gy, &mc_gz); \ PROP_GRAV_DT(dt, mc_gx, mc_gy, mc_gz); } \ else mcPROP_DT(dt); \ DISALLOW_BACKPROP;\ } while(0) #define PROP_Z0 \ do { \ if (mcgravitation) { Coords mcLocG; int mc_ret; \ double mc_dt, mc_gx, mc_gy, mc_gz; \ mcLocG = rot_apply(ROT_A_CURRENT_COMP, coords_set(0,-GRAVITY,0)); \ coords_get(mcLocG, &mc_gx, &mc_gy, &mc_gz); \ mc_ret = solve_2nd_order(&mc_dt, NULL, -mc_gz/2, -vz, -z); \ if (mc_ret) {PROP_GRAV_DT(mc_dt, mc_gx, mc_gy, mc_gz); z=0;}\ else if (allow_backprop == 0 && mc_dt < 0) { ABSORB; }; } \ else mcPROP_Z0; \ DISALLOW_BACKPROP;\ } while(0) #define mcPROP_Z0 \ do { \ double mc_dt; \ if(vz == 0) { ABSORB; }; \ mc_dt = -z/vz; \ if(mc_dt < 0 && allow_backprop == 0) { ABSORB; }; \ mcPROP_DT(mc_dt); \ z = 0; \ DISALLOW_BACKPROP;\ } while(0) #define PROP_X0 \ do { \ if (mcgravitation) { Coords mcLocG; int mc_ret; \ double mc_dt, mc_gx, mc_gy, mc_gz; \ mcLocG = rot_apply(ROT_A_CURRENT_COMP, coords_set(0,-GRAVITY,0)); \ coords_get(mcLocG, &mc_gx, &mc_gy, &mc_gz); \ mc_ret = solve_2nd_order(&mc_dt, NULL, -mc_gx/2, -vx, -x); \ if (mc_ret) {PROP_GRAV_DT(mc_dt, mc_gx, mc_gy, mc_gz); x=0;}\ else if (allow_backprop == 0 && mc_dt < 0) { ABSORB; }; } \ else mcPROP_X0; \ DISALLOW_BACKPROP;\ } while(0) #define mcPROP_X0 \ do { \ double mc_dt; \ if(vx == 0) { ABSORB; }; \ mc_dt = -x/vx; \ if(mc_dt < 0 && allow_backprop == 0) { ABSORB; }; \ mcPROP_DT(mc_dt); \ x = 0; \ DISALLOW_BACKPROP;\ } while(0) #define PROP_Y0 \ do { \ if (mcgravitation) { Coords mcLocG; int mc_ret; \ double mc_dt, mc_gx, mc_gy, mc_gz; \ mcLocG = rot_apply(ROT_A_CURRENT_COMP, coords_set(0,-GRAVITY,0)); \ coords_get(mcLocG, &mc_gx, &mc_gy, &mc_gz); \ mc_ret = solve_2nd_order(&mc_dt, NULL, -mc_gy/2, -vy, -y); \ if (mc_ret) {PROP_GRAV_DT(mc_dt, mc_gx, mc_gy, mc_gz); y=0;}\ else if (allow_backprop == 0 && mc_dt < 0) { ABSORB; }; } \ else mcPROP_Y0; \ DISALLOW_BACKPROP;\ } while(0) #define mcPROP_Y0 \ do { \ double mc_dt; \ if(vy == 0) { ABSORB; }; \ mc_dt = -y/vy; \ if(mc_dt < 0 && allow_backprop == 0) { ABSORB; }; \ mcPROP_DT(mc_dt); \ y = 0; \ DISALLOW_BACKPROP; \ } while(0) #ifdef DEBUG #define DEBUG_STATE() if(!mcdotrace); else \ printf("STATE: %g, %g, %g, %g, %g, %g, %g, %g, %g, %g, %g\n", \ x,y,z,vx,vy,vz,t,sx,sy,sz,p); #define DEBUG_SCATTER() if(!mcdotrace); else \ printf("SCATTER: %g, %g, %g, %g, %g, %g, %g, %g, %g, %g, %g\n", \ x,y,z,vx,vy,vz,t,sx,sy,sz,p); #else #define DEBUG_STATE() #define DEBUG_SCATTER() #endif #endif /* !MCCODE_H */ #endif /* MCSTAS_R_H */ /* End of file "mcstas-r.h". */ /* embedding file "mccode-r.c" */ /******************************************************************************* * * McCode, neutron/xray ray-tracing package * Copyright (C) 1997-2009, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Runtime: share/mccode-r.c * * %Identification * Written by: KN * Date: Aug 29, 1997 * Release: McStas X.Y/McXtrace X.Y * Version: $Revision$ * * Runtime system for McStas and McXtrace. * Embedded within instrument in runtime mode. * Contains SECTIONS: * MPI handling (sum, send, recv) * format definitions * I/O * mcdisplay support * random numbers * coordinates handling * vectors math (solve 2nd order, normals, randvec...) * parameter handling * signal and main handlers * * Usage: Automatically embbeded in the c code whenever required. * * $Id$ * *******************************************************************************/ /******************************************************************************* * The I/O format definitions and functions *******************************************************************************/ /** Include header files to avoid implicit declarations (not allowed on LLVM) */ #include #include #include #include // UNIX specific headers (non-Windows) #if defined(__unix__) || defined(__APPLE__) #include #include #endif #ifndef DANSE #ifdef MC_ANCIENT_COMPATIBILITY int traceenabled = 0; int defaultmain = 0; #endif /* else defined directly in the McCode generated C code */ static long mcseed = 0; /* seed for random generator */ #pragma acc declare create ( mcseed ) static long mcstartdate = 0; /* start simulation time */ static int mcdisable_output_files = 0; /* --no-output-files */ mcstatic int mcgravitation = 0; /* use gravitation flag, for PROP macros */ mcstatic int mcusedefaults = 0; /* assume default value for all parameters */ mcstatic int mcappend = 0; /* flag to allow append mode on datasets/directories */ mcstatic int mcdotrace = 0; /* flag for --trace and messages for DISPLAY */ mcstatic int mcnexus_embed_idf = 0; /* flag to embed xml-formatted IDF file for Mantid */ #pragma acc declare create ( mcdotrace ) int mcallowbackprop = 0; /* flag to enable negative/backprop */ /* OpenACC-related segmentation parameters: */ int vecsize = 128; int numgangs = 7813; long gpu_innerloop = 2147483647; /* Monitor_nD list/buffer-size default */ /* Starting value may be defined using -DND_BUFFER=N */ /* Can further be controlled dynamically using --bufsiz input */ long MONND_BUFSIZ = 10000000; #ifdef ND_BUFFER MONND_BUFSIZ = ND_BUFFER; #endif /* Number of particle histories to simulate. */ #ifdef NEUTRONICS mcstatic unsigned long long int mcncount = 1; mcstatic unsigned long long int mcrun_num = 0; #else #ifdef MCDEFAULT_NCOUNT mcstatic unsigned long long int mcncount = MCDEFAULT_NCOUNT; #else mcstatic unsigned long long int mcncount = 1000000; #endif #pragma acc declare create ( mcncount ) mcstatic unsigned long long int mcrun_num = 0; #pragma acc declare create ( mcrun_num ) #endif /* NEUTRONICS */ #else #include "mcstas-globals.h" #endif /* !DANSE */ #ifndef NX_COMPRESSION #define NX_COMPRESSION NX_COMP_NONE #endif /* String nullification on GPU and other replacements */ #ifdef OPENACC int noprintf() { return 0; } int str_comp(char *str1, char *str2) { while (*str1 && *str1 == *str2) { str1++; str2++; } return (*str1 - *str2); } size_t str_len(const char *s) { size_t len = 0; if(s != NULL) { while(*s != '\0') { ++len; ++s; } } return len; } #endif /* SECTION: Predefine (component) parameters ================================= */ int nans_match(double a, double b){ return (*(uint64_t*)&a == *(uint64_t*)&b); } int is_unset(double x){ return nans_match(x, UNSET); } int is_set(double x){ return !nans_match(x, UNSET); } int is_valid(double x){ return !isnan(x)||is_unset(x); } int all_unset(int n, ...){ va_list ptr; va_start(ptr, n); int ret=1; for (int i=0; i count-1) length=count-offset; else length=MPI_REDUCE_BLOCKSIZE; if (MPI_Allreduce((double*)(sbuf+offset), (double*)(rbuf+offset), length, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD) != MPI_SUCCESS) return MPI_ERR_COUNT; offset += length; } for (i=0; i count-1) length=count-offset; else length=MPI_REDUCE_BLOCKSIZE; if (MPI_Send((void*)((char*)sbuf+offset*dsize), length, dtype, dest, tag++, MPI_COMM_WORLD) != MPI_SUCCESS) return MPI_ERR_COUNT; offset += length; } return MPI_SUCCESS; } /* mc_MPI_Send */ /******************************************************************************* * mc_MPI_Recv: Receives arrays from MPI nodes by blocks to avoid buffer limit * the buffer must have been allocated previously. *******************************************************************************/ int mc_MPI_Recv(void *sbuf, long count, MPI_Datatype dtype, int source) { int dsize; long offset=0; int tag=1; int length=MPI_REDUCE_BLOCKSIZE; /* defined in mccode-r.h */ if (!sbuf || count <= 0) return(MPI_SUCCESS); /* nothing to recv */ MPI_Type_size(dtype, &dsize); while (offset < count) { if (offset+length > count-1) length=count-offset; else length=MPI_REDUCE_BLOCKSIZE; if (MPI_Recv((void*)((char*)sbuf+offset*dsize), length, dtype, source, tag++, MPI_COMM_WORLD, MPI_STATUS_IGNORE) != MPI_SUCCESS) return MPI_ERR_COUNT; offset += length; } return MPI_SUCCESS; } /* mc_MPI_Recv */ #endif /* USE_MPI */ /* SECTION: parameters handling ============================================= */ /* Instrument input parameter type handling. */ /******************************************************************************* * mcparm_double: extract double value from 's' into 'vptr' *******************************************************************************/ static int mcparm_double(char *s, void *vptr) { char *p; double *v = (double *)vptr; if (!s) { *v = 0; return(1); } *v = strtod(s, &p); if(*s == '\0' || (p != NULL && *p != '\0') || errno == ERANGE) return 0; /* Failed */ else return 1; /* Success */ } /******************************************************************************* * mcparminfo_double: display parameter type double *******************************************************************************/ static char * mcparminfo_double(char *parmname) { return "double"; } /******************************************************************************* * mcparmerror_double: display error message when failed extract double *******************************************************************************/ static void mcparmerror_double(char *parm, char *val) { fprintf(stderr, "Error: Invalid value '%s' for floating point parameter %s (mcparmerror_double)\n", val, parm); } /******************************************************************************* * mcparmprinter_double: convert double to string *******************************************************************************/ static void mcparmprinter_double(char *f, void *vptr) { double *v = (double *)vptr; sprintf(f, "%g", *v); } /******************************************************************************* * mcparm_int: extract int value from 's' into 'vptr' *******************************************************************************/ static int mcparm_int(char *s, void *vptr) { char *p; int *v = (int *)vptr; long x; if (!s) { *v = 0; return(1); } *v = 0; x = strtol(s, &p, 10); if(x < INT_MIN || x > INT_MAX) return 0; /* Under/overflow */ *v = x; if(*s == '\0' || (p != NULL && *p != '\0') || errno == ERANGE) return 0; /* Failed */ else return 1; /* Success */ } /******************************************************************************* * mcparminfo_int: display parameter type int *******************************************************************************/ static char * mcparminfo_int(char *parmname) { return "int"; } /******************************************************************************* * mcparmerror_int: display error message when failed extract int *******************************************************************************/ static void mcparmerror_int(char *parm, char *val) { fprintf(stderr, "Error: Invalid value '%s' for integer parameter %s (mcparmerror_int)\n", val, parm); } /******************************************************************************* * mcparmprinter_int: convert int to string *******************************************************************************/ static void mcparmprinter_int(char *f, void *vptr) { int *v = (int *)vptr; sprintf(f, "%d", *v); } /******************************************************************************* * mcparm_string: extract char* value from 's' into 'vptr' (copy) *******************************************************************************/ static int mcparm_string(char *s, void *vptr) { char **v = (char **)vptr; if (!s) { *v = NULL; return(1); } *v = (char *)malloc(strlen(s) + 1); if(*v == NULL) { exit(-fprintf(stderr, "Error: Out of memory %li (mcparm_string).\n", (long)strlen(s) + 1)); } strcpy(*v, s); return 1; /* Success */ } /******************************************************************************* * mcparminfo_string: display parameter type string *******************************************************************************/ static char * mcparminfo_string(char *parmname) { return "string"; } /******************************************************************************* * mcparmerror_string: display error message when failed extract string *******************************************************************************/ static void mcparmerror_string(char *parm, char *val) { fprintf(stderr, "Error: Invalid value '%s' for string parameter %s (mcparmerror_string)\n", val, parm); } /******************************************************************************* * mcparmprinter_string: convert string to string (including esc chars) *******************************************************************************/ static void mcparmprinter_string(char *f, void *vptr) { char **v = (char **)vptr; char *p; if (!*v) { *f='\0'; return; } strcpy(f, ""); for(p = *v; *p != '\0'; p++) { switch(*p) { case '\n': strcat(f, "\\n"); break; case '\r': strcat(f, "\\r"); break; case '"': strcat(f, "\\\""); break; case '\\': strcat(f, "\\\\"); break; default: strncat(f, p, 1); } } /* strcat(f, "\""); */ } /* mcparmprinter_string */ /* now we may define the parameter structure, using previous functions */ static struct { int (*getparm)(char *, void *); char * (*parminfo)(char *); void (*error)(char *, char *); void (*printer)(char *, void *); } mcinputtypes[] = { { mcparm_int, mcparminfo_int, mcparmerror_int, mcparmprinter_int }, { mcparm_string, mcparminfo_string, mcparmerror_string, mcparmprinter_string }, { mcparm_string, mcparminfo_string, mcparmerror_string, mcparmprinter_string }, { mcparm_double, mcparminfo_double, mcparmerror_double, mcparmprinter_double }, { mcparm_double, mcparminfo_double, mcparmerror_double, mcparmprinter_double } }; /******************************************************************************* * mcestimate_error: compute sigma from N,p,p2 in Gaussian large numbers approx *******************************************************************************/ double mcestimate_error(double N, double p1, double p2) { double pmean, n1; if(N <= 1) return p1; pmean = p1 / N; n1 = N - 1; /* Note: underflow may cause p2 to become zero; the fabs() below guards against this. */ return sqrt((N/n1)*fabs(p2 - pmean*pmean)); } double (*mcestimate_error_p) (double V2, double psum, double p2sum)=mcestimate_error; /* ========================================================================== */ /* MCCODE_R_IO_C */ /* ========================================================================== */ #ifndef MCCODE_R_IO_C #define MCCODE_R_IO_C "$Revision$" /* SECTION: file i/o handling ================================================ */ #ifndef HAVE_STRCASESTR // from msysgit: https://code.google.com/p/msysgit/source/browse/compat/strcasestr.c char *strcasestr(const char *haystack, const char *needle) { int nlen = strlen(needle); int hlen = strlen(haystack) - nlen + 1; int i; for (i = 0; i < hlen; i++) { int j; for (j = 0; j < nlen; j++) { unsigned char c1 = haystack[i+j]; unsigned char c2 = needle[j]; if (toupper(c1) != toupper(c2)) goto next; } return (char *) haystack + i; next: ; } return NULL; } #endif #ifndef HAVE_STRCASECMP int strcasecmp( const char *s1, const char *s2 ) { int c1, c2; do { c1 = tolower( (unsigned char) *s1++ ); c2 = tolower( (unsigned char) *s2++ ); } while (c1 == c2 && c1 != 0); return c2 > c1 ? -1 : c1 > c2; } #endif #ifndef STRACPY /* this is a replacement to strncpy, but ensures that the copy ends with NULL */ /* http://stracpy.blogspot.fr/2011/04/stracpy-strncpy-replacement.html */ #define STRACPY char *stracpy(char *destination, const char *source, size_t amount) { if (!destination || !source || !amount) return(NULL); while(amount--) if((*destination++ = *source++) == '\0') break; *destination = '\0'; return destination; } #endif /******************************************************************************* * mcfull_file: allocates a full file name=dirname+file. Catenate extension if missing. *******************************************************************************/ char *mcfull_file(char *name, char *ext) { int dirlen=0; char *mem =NULL; dirlen = dirname ? strlen(dirname) : 0; mem = (char*)malloc(dirlen + strlen(name) + CHAR_BUF_LENGTH); if(!mem) { exit(-fprintf(stderr, "Error: Out of memory %li (mcfull_file)\n", (long)(dirlen + strlen(name) + 256))); } strcpy(mem, ""); /* prepend directory name to path if name does not contain a path */ if (dirlen > 0 && !strchr(name, MC_PATHSEP_C)) { strcat(mem, dirname); strcat(mem, MC_PATHSEP_S); } /* dirlen */ strcat(mem, name); if (!strchr(name, '.') && ext && strlen(ext)) { /* add extension if not in file name already */ strcat(mem, "."); strcat(mem, ext); } return(mem); } /* mcfull_file */ /******************************************************************************* * mcnew_file: opens a new file within dirname if non NULL * the file is opened in "a" (append, create if does not exist) * the extension 'ext' is added if the file name does not include one. * the last argument is set to 0 if file did not exist, else to 1. *******************************************************************************/ FILE *mcnew_file(char *name, char *ext, int *exists) { char *mem; FILE *file=NULL; if (!name || strlen(name) == 0 || mcdisable_output_files) return(NULL); mem = mcfull_file(name, ext); /* create dirname/name.ext */ /* check for existence */ file = fopen(mem, "r"); /* for reading -> fails if does not exist */ if (file) { fclose(file); *exists=1; } else *exists=0; /* open the file for writing/appending */ #ifdef USE_NEXUS if (mcformat && strcasestr(mcformat, "NeXus")) { /* NXhandle nxhandle is defined in the .h with USE_NEXUS */ NXaccess mode = (*exists ? NXACC_CREATE5 | NXACC_RDWR : NXACC_CREATE5); if (NXopen(mem, mode, &nxhandle) != NX_OK) file = NULL; else file = (FILE*)&nxhandle; /* to make it non NULL */ } else #endif file = fopen(mem, "a+"); if(!file) fprintf(stderr, "Warning: could not open output file '%s' for %s (mcnew_file)\n", mem, *exists ? "append" : "create"); free(mem); return file; } /* mcnew_file */ /******************************************************************************* * mcdetector_statistics: compute detector statistics, error bars, [x I I_err N] 1D * RETURN: updated detector structure * Used by: detector_import *******************************************************************************/ MCDETECTOR mcdetector_statistics( MCDETECTOR detector) { if (!detector.p1 || !detector.m) return(detector); /* compute statistics and update MCDETECTOR structure ===================== */ double sum_z = 0, min_z = 0, max_z = 0; double fmon_x =0, smon_x = 0, fmon_y =0, smon_y=0, mean_z=0; double Nsum=0, P2sum=0; double sum_xz = 0, sum_yz = 0, sum_x = 0, sum_y = 0, sum_x2z = 0, sum_y2z = 0; int i,j; char hasnan=0, hasinf=0; char israw = ((char*)strcasestr(detector.format,"raw") != NULL); double *this_p1=NULL; /* new 1D McCode array [x I E N]. Freed after writing data */ /* if McCode/PGPLOT and rank==1 we create a new m*4 data block=[x I E N] */ if (detector.rank == 1 && strcasestr(detector.format,"McCode")) { this_p1 = (double *)calloc(detector.m*detector.n*detector.p*4, sizeof(double)); if (!this_p1) exit(-fprintf(stderr, "Error: Out of memory creating %zi 1D " MCCODE_STRING " data set for file '%s' (detector_import)\n", detector.m*detector.n*detector.p*4*sizeof(double*), detector.filename)); } max_z = min_z = detector.p1[0]; /* compute sum and moments (not for lists) */ if (!strcasestr(detector.format,"list") && detector.m) for(j = 0; j < detector.n*detector.p; j++) { for(i = 0; i < detector.m; i++) { double x,y,z; double N, E; long index= !detector.istransposed ? i*detector.n*detector.p + j : i+j*detector.m; char hasnaninf=0; if (detector.m) x = detector.xmin + (i + 0.5)/detector.m*(detector.xmax - detector.xmin); else x = 0; if (detector.n && detector.p) y = detector.ymin + (j + 0.5)/detector.n/detector.p*(detector.ymax - detector.ymin); else y = 0; z = detector.p1[index]; N = detector.p0 ? detector.p0[index] : 1; E = detector.p2 ? detector.p2[index] : 0; if (detector.p2 && !israw) detector.p2[index] = (*mcestimate_error_p)(detector.p0[index],detector.p1[index],detector.p2[index]); /* set sigma */ if (detector.rank == 1 && this_p1 && strcasestr(detector.format,"McCode")) { /* fill-in 1D McCode array [x I E N] */ this_p1[index*4] = x; this_p1[index*4+1] = z; this_p1[index*4+2] = detector.p2 ? detector.p2[index] : 0; this_p1[index*4+3] = N; } if (isnan(z) || isnan(E) || isnan(N)) hasnaninf=hasnan=1; if (isinf(z) || isinf(E) || isinf(N)) hasnaninf=hasinf=1; /* compute stats integrals */ if (!hasnaninf) { sum_xz += x*z; sum_yz += y*z; sum_x += x; sum_y += y; sum_z += z; sum_x2z += x*x*z; sum_y2z += y*y*z; if (z > max_z) max_z = z; if (z < min_z) min_z = z; Nsum += N; P2sum += E; } } } /* for j */ /* compute 1st and 2nd moments. For lists, sum_z=0 so this is skipped. */ if (sum_z && detector.n*detector.m*detector.p) { fmon_x = sum_xz/sum_z; fmon_y = sum_yz/sum_z; smon_x = sum_x2z/sum_z-fmon_x*fmon_x; smon_x = smon_x > 0 ? sqrt(smon_x) : 0; smon_y = sum_y2z/sum_z-fmon_y*fmon_y; smon_y = smon_y > 0 ? sqrt(smon_y) : 0; mean_z = sum_z/detector.n/detector.m/detector.p; } /* store statistics into detector */ detector.intensity = sum_z; detector.error = Nsum ? (*mcestimate_error_p)(Nsum, sum_z, P2sum) : 0; detector.events = Nsum; detector.min = min_z; detector.max = max_z; detector.mean = mean_z; detector.centerX = fmon_x; detector.halfwidthX= smon_x; detector.centerY = fmon_y; detector.halfwidthY= smon_y; /* if McCode/PGPLOT and rank==1 replace p1 with new m*4 1D McCode and clear others */ if (detector.rank == 1 && this_p1 && strcasestr(detector.format,"McCode")) { detector.p1 = this_p1; detector.n = detector.m; detector.m = 4; detector.p0 = detector.p2 = NULL; detector.istransposed = 1; } if (detector.n*detector.m*detector.p > 1) snprintf(detector.signal, CHAR_BUF_LENGTH, "Min=%g; Max=%g; Mean=%g;", detector.min, detector.max, detector.mean); else strcpy(detector.signal, "None"); snprintf(detector.values, CHAR_BUF_LENGTH, "%g %g %g", detector.intensity, detector.error, detector.events); switch (detector.rank) { case 1: snprintf(detector.statistics, CHAR_BUF_LENGTH, "X0=%g; dX=%g;", detector.centerX, detector.halfwidthX); break; case 2: case 3: snprintf(detector.statistics, CHAR_BUF_LENGTH, "X0=%g; dX=%g; Y0=%g; dY=%g;", detector.centerX, detector.halfwidthX, detector.centerY, detector.halfwidthY); break; default: strcpy(detector.statistics, "None"); } if (hasnan) printf("WARNING: Nan detected in component/file %s %s\n", detector.component, strlen(detector.filename) ? detector.filename : ""); if (hasinf) printf("WARNING: Inf detected in component/file %s %s\n", detector.component, strlen(detector.filename) ? detector.filename : ""); return(detector); } /* mcdetector_statistics */ /******************************************************************************* * detector_import: build detector structure, merge non-lists from MPI * compute basic stat, write "Detector:" line * RETURN: detector structure. Invalid data if detector.p1 == NULL * Invalid detector sets m=0 and filename="" * Simulation data sets m=0 and filename=siminfo_name * This function is equivalent to the old 'mcdetector_out', returning a structure *******************************************************************************/ MCDETECTOR detector_import( char *format, char *component, char *title, long m, long n, long p, char *xlabel, char *ylabel, char *zlabel, char *xvar, char *yvar, char *zvar, double x1, double x2, double y1, double y2, double z1, double z2, char *filename, double *p0, double *p1, double *p2, Coords position, Rotation rotation, int index) { time_t t; /* for detector.date */ long date_l; /* date as a long number */ char istransposed=0; char c[CHAR_BUF_LENGTH]; /* temp var for signal label */ MCDETECTOR detector; /* build MCDETECTOR structure ============================================= */ /* make sure we do not have NULL for char fields */ /* these also apply to simfile */ strncpy (detector.filename, filename ? filename : "", CHAR_BUF_LENGTH); strncpy (detector.format, format ? format : "McCode" , CHAR_BUF_LENGTH); /* add extension if missing */ if (strlen(detector.filename) && !strchr(detector.filename, '.')) { /* add extension if not in file name already */ strcat(detector.filename, ".dat"); } strncpy (detector.component, component ? component : MCCODE_STRING " component", CHAR_BUF_LENGTH); #ifdef USE_NEXUS char pref[5]; if (index-1 < 10) { sprintf(pref,"000"); } else if (index-1 < 100) { sprintf(pref,"00"); } else if (index-1 < 1000) { sprintf(pref,"0"); } else if (index-1 < 10000) { sprintf(pref,""); } else { fprintf(stderr,"Error, no support for > 10000 comps at the moment!\n"); exit(-1); } sprintf(detector.nexuscomp,"%s%d_%s",pref,index-1,detector.component); #endif snprintf(detector.instrument, CHAR_BUF_LENGTH, "%s (%s)", instrument_name, instrument_source); snprintf(detector.user, CHAR_BUF_LENGTH, "%s on %s", getenv("USER") ? getenv("USER") : MCCODE_NAME, getenv("HOST") ? getenv("HOST") : "localhost"); time(&t); /* get current write time */ date_l = (long)t; /* same but as a long */ snprintf(detector.date, CHAR_BUF_LENGTH, "%s", ctime(&t)); if (strlen(detector.date)) detector.date[strlen(detector.date)-1] = '\0'; /* remove last \n in date */ detector.date_l = date_l; if (!mcget_run_num() || mcget_run_num() >= mcget_ncount()) snprintf(detector.ncount, CHAR_BUF_LENGTH, "%llu", mcget_ncount() #ifdef USE_MPI *mpi_node_count #endif ); else snprintf(detector.ncount, CHAR_BUF_LENGTH, "%g/%g", (double)mcget_run_num(), (double)mcget_ncount()); detector.p0 = p0; detector.p1 = p1; detector.p2 = p2; /* handle transposition (not for NeXus) */ if (!strcasestr(detector.format, "NeXus")) { if (m<0 || n<0 || p<0) istransposed = !istransposed; if (strcasestr(detector.format, "transpose")) istransposed = !istransposed; if (istransposed) { /* do the swap once for all */ long i=m; m=n; n=i; } } m=labs(m); n=labs(n); p=labs(p); /* make sure dimensions are positive */ detector.istransposed = istransposed; /* determine detector rank (dimensionality) */ if (!m || !n || !p || !p1) detector.rank = 4; /* invalid: exit with m=0 filename="" */ else if (m*n*p == 1) detector.rank = 0; /* 0D */ else if (n == 1 || m == 1) detector.rank = 1; /* 1D */ else if (p == 1) detector.rank = 2; /* 2D */ else detector.rank = 3; /* 3D */ /* from rank, set type */ switch (detector.rank) { case 0: strcpy(detector.type, "array_0d"); m=n=p=1; break; case 1: snprintf(detector.type, CHAR_BUF_LENGTH, "array_1d(%ld)", m*n*p); m *= n*p; n=p=1; break; case 2: snprintf(detector.type, CHAR_BUF_LENGTH, "array_2d(%ld, %ld)", m, n*p); n *= p; p=1; break; case 3: snprintf(detector.type, CHAR_BUF_LENGTH, "array_3d(%ld, %ld, %ld)", m, n, p); break; default: m=0; strcpy(detector.type, ""); strcpy(detector.filename, "");/* invalid */ } detector.m = m; detector.n = n; detector.p = p; /* these only apply to detector files ===================================== */ detector.Position[0]=position.x; detector.Position[1]=position.y; detector.Position[2]=position.z; rot_copy(detector.Rotation,rotation); snprintf(detector.position, CHAR_BUF_LENGTH, "%g %g %g", position.x, position.y, position.z); /* may also store actual detector orientation in the future */ strncpy(detector.title, title && strlen(title) ? title : component, CHAR_BUF_LENGTH); strncpy(detector.xlabel, xlabel && strlen(xlabel) ? xlabel : "X", CHAR_BUF_LENGTH); /* axis labels */ strncpy(detector.ylabel, ylabel && strlen(ylabel) ? ylabel : "Y", CHAR_BUF_LENGTH); strncpy(detector.zlabel, zlabel && strlen(zlabel) ? zlabel : "Z", CHAR_BUF_LENGTH); strncpy(detector.xvar, xvar && strlen(xvar) ? xvar : "x", CHAR_BUF_LENGTH); /* axis variables */ strncpy(detector.yvar, yvar && strlen(yvar) ? yvar : detector.xvar, CHAR_BUF_LENGTH); strncpy(detector.zvar, zvar && strlen(zvar) ? zvar : detector.yvar, CHAR_BUF_LENGTH); /* set "variables" as e.g. "I I_err N" */ strcpy(c, "I "); if (strlen(detector.zvar)) strncpy(c, detector.zvar,32); else if (strlen(detector.yvar)) strncpy(c, detector.yvar,32); else if (strlen(detector.xvar)) strncpy(c, detector.xvar,32); if (detector.rank == 1) snprintf(detector.variables, CHAR_BUF_LENGTH, "%s %s %s_err N", detector.xvar, c, c); else snprintf(detector.variables, CHAR_BUF_LENGTH, "%s %s_err N", c, c); /* limits */ detector.xmin = x1; detector.xmax = x2; detector.ymin = y1; detector.ymax = y2; detector.zmin = z1; detector.zmax = z2; if (abs(detector.rank) == 1) snprintf(detector.limits, CHAR_BUF_LENGTH, "%g %g", x1, x2); else if (detector.rank == 2) snprintf(detector.limits, CHAR_BUF_LENGTH, "%g %g %g %g", x1, x2, y1, y2); else snprintf(detector.limits, CHAR_BUF_LENGTH, "%g %g %g %g %g %g", x1, x2, y1, y2, z1, z2); /* if MPI and nodes_nb > 1: reduce data sets when using MPI =============== */ #ifdef USE_MPI if (!strcasestr(detector.format,"list") && mpi_node_count > 1 && m) { /* we save additive data: reduce everything into mpi_node_root */ if (p0) mc_MPI_Sum(p0, m*n*p); if (p1) mc_MPI_Sum(p1, m*n*p); if (p2) mc_MPI_Sum(p2, m*n*p); if (!p0) { /* additive signal must be then divided by the number of nodes */ int i; for (i=0; i CHAR_BUF_LENGTH) break; snprintf(ThisParam, CHAR_BUF_LENGTH, " %s(%s)", mcinputtable[i].name, (*mcinputtypes[mcinputtable[i].type].parminfo) (mcinputtable[i].name)); if (strlen(Parameters) + strlen(ThisParam) + 1 >= CHAR_BUF_LENGTH) break; strcat(Parameters, ThisParam); } /* output data ============================================================ */ if (f != stdout) fprintf(f, "%sFile: %s%c%s\n", pre, dirname, MC_PATHSEP_C, siminfo_name); else fprintf(f, "%sCreator: %s\n", pre, MCCODE_STRING); fprintf(f, "%sSource: %s\n", pre, instrument_source); fprintf(f, "%sParameters: %s\n", pre, Parameters); fprintf(f, "%sTrace_enabled: %s\n", pre, traceenabled ? "yes" : "no"); fprintf(f, "%sDefault_main: %s\n", pre, defaultmain ? "yes" : "no"); #ifdef MC_EMBEDDED_RUNTIME fprintf(f, "%sEmbedded_runtime: %s\n", pre, "yes"); #else fprintf(f, "%sEmbedded_runtime: %s\n", pre, "no"); #endif fflush(f); } /* mcinfo_out */ /******************************************************************************* * mcruninfo_out: output simulation tags/info (both in SIM and data files) * Used in: siminfo_init (ascii case), mcdetector_out_xD_ascii *******************************************************************************/ static void mcruninfo_out(char *pre, FILE *f) { int i; char Parameters[CHAR_BUF_LENGTH]; if (!f || mcdisable_output_files) return; fprintf(f, "%sFormat: %s%s\n", pre, mcformat && strlen(mcformat) ? mcformat : MCCODE_NAME, mcformat && strcasestr(mcformat,"McCode") ? " with text headers" : ""); fprintf(f, "%sURL: %s\n", pre, "http://www.mccode.org"); fprintf(f, "%sCreator: %s\n", pre, MCCODE_STRING); fprintf(f, "%sInstrument: %s\n", pre, instrument_source); fprintf(f, "%sNcount: %llu\n", pre, mcget_ncount()); fprintf(f, "%sTrace: %s\n", pre, mcdotrace ? "yes" : "no"); fprintf(f, "%sGravitation: %s\n", pre, mcgravitation ? "yes" : "no"); snprintf(Parameters, CHAR_BUF_LENGTH, "%ld", mcseed); fprintf(f, "%sSeed: %s\n", pre, Parameters); fprintf(f, "%sDirectory: %s\n", pre, dirname ? dirname : "."); #ifdef USE_MPI if (mpi_node_count > 1) fprintf(f, "%sNodes: %i\n", pre, mpi_node_count); #endif // TODO Consider replacing this by a a call to `mcparameterinfo_out(pre+"Param: ", f)` /* output parameter string ================================================ */ for(i = 0; i < numipar; i++) { if (mcinputtable[i].par){ /* Parameters with a default value */ if(mcinputtable[i].val && strlen(mcinputtable[i].val)){ (*mcinputtypes[mcinputtable[i].type].printer)(Parameters, mcinputtable[i].par); fprintf(f, "%sParam: %s=%s\n", pre, mcinputtable[i].name, Parameters); /* ... and those without */ }else{ fprintf(f, "%sParam: %s=NULL\n", pre, mcinputtable[i].name); } } } fflush(f); } /* mcruninfo_out */ /******************************************************************************* * @brief Print parameter information to the specified file * @param pre any beginning-of-line padding * @param f the output file */ static void mcparameterinfo_out(char * pre, FILE *f){ if (!f || mcdisable_output_files) return; unsigned int nchar = 4; for (int i=0; i < numipar; ++i){ if (mcinputtable[i].par && mcinputtable[i].val && strlen(mcinputtable[i].val) > nchar) nchar = strlen(mcinputtable[i].val); } char * buffer = calloc(nchar+1, sizeof(char)); if (!buffer) { exit(1); } for (int i=0; i < numipar; ++i) { if (mcinputtable[i].par) { char * name = mcinputtable[i].name; if (mcinputtable[i].val && strlen(mcinputtable[i].val)) { mcinputtypes[mcinputtable[i].type].printer(buffer, mcinputtable[i].par); } else { strcpy(buffer, "NULL"); } if (strlen(mcinputtable[i].unit)){ //fprintf(f, "%s%s %s (\"%s\") = %s\n", pre, mcinputtypes[mcinputtable[i].type].parminfo(name), name, mcinputtable[i].unit, buffer); fprintf(f, "%s%s %s/\"%s\" = %s\n", pre, mcinputtypes[mcinputtable[i].type].parminfo(name), name, mcinputtable[i].unit, buffer); } else { fprintf(f, "%s%s %s = %s\n", pre, mcinputtypes[mcinputtable[i].type].parminfo(name), name, buffer); } } } free(buffer); } /******************************************************************************* * siminfo_out: wrapper to fprintf(siminfo_file) *******************************************************************************/ void siminfo_out(char *format, ...) { va_list ap; if(siminfo_file && !mcdisable_output_files) { va_start(ap, format); vfprintf(siminfo_file, format, ap); va_end(ap); } } /* siminfo_out */ /******************************************************************************* * mcdatainfo_out: output detector header * mcdatainfo_out(prefix, file_handle, detector) writes info to data file *******************************************************************************/ static void mcdatainfo_out(char *pre, FILE *f, MCDETECTOR detector) { if (!f || !detector.m || mcdisable_output_files) return; /* output data ============================================================ */ fprintf(f, "%sDate: %s (%li)\n", pre, detector.date, detector.date_l); fprintf(f, "%stype: %s\n", pre, detector.type); fprintf(f, "%sSource: %s\n", pre, detector.instrument); fprintf(f, "%scomponent: %s\n", pre, detector.component); fprintf(f, "%sposition: %s\n", pre, detector.position); fprintf(f, "%stitle: %s\n", pre, detector.title); fprintf(f, !mcget_run_num() || mcget_run_num() >= mcget_ncount() ? "%sNcount: %s\n" : "%sratio: %s\n", pre, detector.ncount); if (strlen(detector.filename)) { fprintf(f, "%sfilename: %s\n", pre, detector.filename); } fprintf(f, "%sstatistics: %s\n", pre, detector.statistics); fprintf(f, "%ssignal: %s\n", pre, detector.signal); fprintf(f, "%svalues: %s\n", pre, detector.values); if (detector.rank >= 1) { fprintf(f, "%sxvar: %s\n", pre, detector.xvar); fprintf(f, "%syvar: %s\n", pre, detector.yvar); fprintf(f, "%sxlabel: %s\n", pre, detector.xlabel); fprintf(f, "%sylabel: %s\n", pre, detector.ylabel); if (detector.rank > 1) { fprintf(f, "%szvar: %s\n", pre, detector.zvar); fprintf(f, "%szlabel: %s\n", pre, detector.zlabel); } } fprintf(f, abs(detector.rank)==1 ? "%sxlimits: %s\n" : "%sxylimits: %s\n", pre, detector.limits); fprintf(f, "%svariables: %s\n", pre, strcasestr(detector.format, "list") ? detector.ylabel : detector.variables); fflush(f); } /* mcdatainfo_out */ /* mcdetector_out_array_ascii: output a single array to a file * m: columns * n: rows * p: array * f: file handle (already opened) */ static void mcdetector_out_array_ascii(long m, long n, double *p, FILE *f, char istransposed) { if(f) { int i,j; for(j = 0; j < n; j++) { for(i = 0; i < m; i++) { fprintf(f, "%.10g ", p[!istransposed ? i*n + j : j*m+i]); } fprintf(f,"\n"); } } } /* mcdetector_out_array_ascii */ /******************************************************************************* * mcdetector_out_0D_ascii: called by mcdetector_out_0D for ascii output *******************************************************************************/ MCDETECTOR mcdetector_out_0D_ascii(MCDETECTOR detector) { int exists=0; FILE *outfile = NULL; /* Write data set information to simulation description file. */ MPI_MASTER( siminfo_out("\nbegin data\n"); // detector.component mcdatainfo_out(" ", siminfo_file, detector); siminfo_out("end data\n"); /* Don't write if filename is NULL: mcnew_file handles this (return NULL) */ outfile = mcnew_file(detector.component, "dat", &exists); if(outfile) { /* write data file header and entry in simulation description file */ mcruninfo_out( "# ", outfile); mcdatainfo_out("# ", outfile, detector); /* write I I_err N */ fprintf(outfile, "%g %g %g\n", detector.intensity, detector.error, detector.events); fclose(outfile); } ); /* MPI_MASTER */ return(detector); } /* mcdetector_out_0D_ascii */ /******************************************************************************* * mcdetector_out_1D_ascii: called by mcdetector_out_1D for ascii output *******************************************************************************/ MCDETECTOR mcdetector_out_1D_ascii(MCDETECTOR detector) { int exists=0; FILE *outfile = NULL; MPI_MASTER( /* Write data set information to simulation description file. */ siminfo_out("\nbegin data\n"); // detector.filename mcdatainfo_out(" ", siminfo_file, detector); siminfo_out("end data\n"); /* Loop over array elements, writing to file. */ /* Don't write if filename is NULL: mcnew_file handles this (return NULL) */ outfile = mcnew_file(detector.filename, "dat", &exists); if(outfile) { /* write data file header and entry in simulation description file */ mcruninfo_out( "# ", outfile); mcdatainfo_out("# ", outfile, detector); /* output the 1D array columns */ mcdetector_out_array_ascii(detector.m, detector.n, detector.p1, outfile, detector.istransposed); fclose(outfile); } ); /* MPI_MASTER */ return(detector); } /* mcdetector_out_1D_ascii */ /******************************************************************************* * mcdetector_out_2D_ascii: called by mcdetector_out_2D for ascii output *******************************************************************************/ MCDETECTOR mcdetector_out_2D_ascii(MCDETECTOR detector) { int exists=0; FILE *outfile = NULL; MPI_MASTER( /* Loop over array elements, writing to file. */ /* Don't write if filename is NULL: mcnew_file handles this (return NULL) */ outfile = mcnew_file(detector.filename, "dat", &exists); if(outfile) { /* write header only if file has just been created (not appending) */ if (!exists) { /* Write data set information to simulation description file. */ siminfo_out("\nbegin data\n"); // detector.filename mcdatainfo_out(" ", siminfo_file, detector); siminfo_out("end data\n"); mcruninfo_out( "# ", outfile); mcdatainfo_out("# ", outfile, detector); } /* Add # Data entry for any write to the file (e.g. via -USR2, see GitHub issue #2174 ) */ fprintf(outfile, "# Data [%s/%s] %s:\n", detector.component, detector.filename, detector.zvar); mcdetector_out_array_ascii(detector.m, detector.n*detector.p, detector.p1, outfile, detector.istransposed); if (detector.p2) { fprintf(outfile, "# Errors [%s/%s] %s_err:\n", detector.component, detector.filename, detector.zvar); mcdetector_out_array_ascii(detector.m, detector.n*detector.p, detector.p2, outfile, detector.istransposed); } if (detector.p0) { fprintf(outfile, "# Events [%s/%s] N:\n", detector.component, detector.filename); mcdetector_out_array_ascii(detector.m, detector.n*detector.p, detector.p0, outfile, detector.istransposed); } fclose(outfile); if (!exists) { if (strcasestr(detector.format, "list")) printf("Events: \"%s\"\n", strlen(detector.filename) ? detector.filename : detector.component); } } /* if outfile */ ); /* MPI_MASTER */ #ifdef USE_MPI if (strcasestr(detector.format, "list") && mpi_node_count > 1) { int node_i=0; /* loop along MPI nodes to write sequentially */ for(node_i=0; node_i strlen(original)) n = strlen(original); else original += strlen(original)-n; strncpy(valid, original, n); for (i=0; i < n; i++) { if ( (valid[i] > 122) || (valid[i] < 32) || (strchr("!\"#$%&'()*+,-.:;<=>?@[\\]^`/ \n\r\t", valid[i]) != NULL) ) { if (i) valid[i] = '_'; else valid[i] = 'm'; } } valid[i] = '\0'; return(valid); } /* strcpy_valid */ /* end ascii output section ================================================= */ #ifdef USE_NEXUS /* ========================================================================== */ /* NeXus output */ /* ========================================================================== */ #define nxprintf(...) nxstr('d', __VA_ARGS__) #define nxprintattr(...) nxstr('a', __VA_ARGS__) /******************************************************************************* * nxstr: output a tag=value data set (char) in NeXus/current group * when 'format' is larger that 1024 chars it is used as value for the 'tag' * else the value is assembled with format and following arguments. * type='d' -> data set * 'a' -> attribute for current data set *******************************************************************************/ static int nxstr(char type, NXhandle *f, char *tag, char *format, ...) { va_list ap; char value[CHAR_BUF_LENGTH]; int i; int ret=NX_OK; if (!tag || !format || !strlen(tag) || !strlen(format)) return(NX_OK); /* assemble the value string */ if (strlen(format) < CHAR_BUF_LENGTH) { va_start(ap, format); ret = vsnprintf(value, CHAR_BUF_LENGTH, format, ap); va_end(ap); i = strlen(value); } else { i = strlen(format); } if (type == 'd') { /* open/put/close data set */ if (NXmakedata (f, tag, NX_CHAR, 1, &i) != NX_OK) return(NX_ERROR); NXopendata (f, tag); if (strlen(format) < CHAR_BUF_LENGTH) ret = NXputdata (f, value); else ret = NXputdata (f, format); NXclosedata(f); } else { if (strlen(format) < CHAR_BUF_LENGTH) ret = NXputattr (f, tag, value, strlen(value), NX_CHAR); else ret = NXputattr (f, tag, format, strlen(format), NX_CHAR); } return(ret); } /* nxstr */ /******************************************************************************* * mcinfo_readfile: read a full file into a string buffer which is allocated * Think to free the buffer after use. * Used in: mcinfo_out_nexus (nexus) *******************************************************************************/ char *mcinfo_readfile(char *filename) { FILE *f = fopen(filename, "rb"); if (!f) return(NULL); fseek(f, 0, SEEK_END); long fsize = ftell(f); rewind(f); char *string = malloc(fsize + 1); if (string) { int n = fread(string, fsize, 1, f); fclose(f); string[fsize] = 0; } return(string); } /******************************************************************************* * mcinfo_out: output instrument/simulation groups in NeXus file * Used in: siminfo_init (nexus) *******************************************************************************/ static void mcinfo_out_nexus(NXhandle f) { FILE *fid; /* for intrument source code/C/IDF */ char *buffer=NULL; time_t t =time(NULL); /* for date */ char entry0[CHAR_BUF_LENGTH]; int count=0; char name[CHAR_BUF_LENGTH]; char class[CHAR_BUF_LENGTH]; if (!f || mcdisable_output_files) return; /* write NeXus NXroot attributes */ /* automatically added: file_name, HDF5_Version, file_time, NeXus_version */ nxprintattr(f, "creator", "%s generated with " MCCODE_STRING, instrument_name); /* count the number of existing NXentry and create the next one */ NXgetgroupinfo(f, &count, name, class); sprintf(entry0, "entry%i", count+1); /* create the main NXentry (mandatory in NeXus) */ if (NXmakegroup(f, entry0, "NXentry") == NX_OK) if (NXopengroup(f, entry0, "NXentry") == NX_OK) { nxprintf(nxhandle, "program_name", MCCODE_STRING); nxprintf(f, "start_time", ctime(&t)); nxprintf(f, "title", "%s%s%s simulation generated by instrument %s", dirname && strlen(dirname) ? dirname : ".", MC_PATHSEP_S, siminfo_name, instrument_name); nxprintattr(f, "program_name", MCCODE_STRING); nxprintattr(f, "instrument", instrument_name); nxprintattr(f, "simulation", "%s%s%s", dirname && strlen(dirname) ? dirname : ".", MC_PATHSEP_S, siminfo_name); /* write NeXus instrument group */ if (NXmakegroup(f, "instrument", "NXinstrument") == NX_OK) if (NXopengroup(f, "instrument", "NXinstrument") == NX_OK) { int i; char *string=NULL; /* write NeXus parameters(types) data =================================== */ string = (char*)malloc(CHAR_BUF_LENGTH); if (string) { strcpy(string, ""); for(i = 0; i < numipar; i++) { char ThisParam[CHAR_BUF_LENGTH]; snprintf(ThisParam, CHAR_BUF_LENGTH, " %s(%s)", mcinputtable[i].name, (*mcinputtypes[mcinputtable[i].type].parminfo) (mcinputtable[i].name)); if (strlen(string) + strlen(ThisParam) < CHAR_BUF_LENGTH) strcat(string, ThisParam); } nxprintattr(f, "Parameters", string); free(string); } nxprintattr(f, "name", instrument_name); nxprintf (f, "name", instrument_name); nxprintattr(f, "Source", instrument_source); nxprintattr(f, "Trace_enabled", traceenabled ? "yes" : "no"); nxprintattr(f, "Default_main", defaultmain ? "yes" : "no"); #ifdef MC_EMBEDDED_RUNTIME nxprintattr(f, "Embedded_runtime", "yes"); #else nxprintattr(f, "Embedded_runtime", "no"); #endif /* add instrument source code when available */ buffer = mcinfo_readfile(instrument_source); if (buffer && strlen(buffer)) { long length=strlen(buffer); nxprintf (f, "description", buffer); NXopendata(f,"description"); nxprintattr(f, "file_name", instrument_source); nxprintattr(f, "file_size", "%li", length); nxprintattr(f, "MCCODE_STRING", MCCODE_STRING); NXclosedata(f); nxprintf (f,"instrument_source", "%s " MCCODE_NAME " " MCCODE_PARTICLE " Monte Carlo simulation", instrument_name); free(buffer); } else nxprintf (f, "description", "File %s not found (instrument description %s is missing)", instrument_source, instrument_name); if (mcnexus_embed_idf) { /* add Mantid/IDF.xml when available */ char *IDFfile=NULL; IDFfile = (char*)malloc(CHAR_BUF_LENGTH); sprintf(IDFfile,"%s%s",instrument_source,".xml"); buffer = mcinfo_readfile(IDFfile); if (buffer && strlen(buffer)) { NXmakegroup (nxhandle, "instrument_xml", "NXnote"); NXopengroup (nxhandle, "instrument_xml", "NXnote"); nxprintf(f, "data", buffer); nxprintf(f, "description", "IDF.xml file found with instrument %s", instrument_source); nxprintf(f, "type", "text/xml"); NXclosegroup(f); /* instrument_xml */ free(buffer); } free(IDFfile); } /* Add "components" entry */ if (NXmakegroup(f, "components", "NXdata") == NX_OK) { NXopengroup(f, "components", "NXdata"); nxprintattr(f, "description", "Component list for instrument %s", instrument_name); NXclosegroup(f); /* components */ } else { printf("Failed to create NeXus component hierarchy\n"); } NXclosegroup(f); /* instrument */ } /* NXinstrument */ /* write NeXus simulation group */ if (NXmakegroup(f, "simulation", "NXnote") == NX_OK) if (NXopengroup(f, "simulation", "NXnote") == NX_OK) { nxprintattr(f, "name", "%s%s%s", dirname && strlen(dirname) ? dirname : ".", MC_PATHSEP_S, siminfo_name); nxprintf (f, "name", "%s", siminfo_name); nxprintattr(f, "Format", mcformat && strlen(mcformat) ? mcformat : MCCODE_NAME); nxprintattr(f, "URL", "http://www.mccode.org"); nxprintattr(f, "program", MCCODE_STRING); nxprintattr(f, "Instrument",instrument_source); nxprintattr(f, "Trace", mcdotrace ? "yes" : "no"); nxprintattr(f, "Gravitation",mcgravitation ? "yes" : "no"); nxprintattr(f, "Seed", "%li", mcseed); nxprintattr(f, "Directory", dirname); #ifdef USE_MPI if (mpi_node_count > 1) nxprintf(f, "Nodes", "%i", mpi_node_count); #endif /* output parameter string ================================================ */ if (NXmakegroup(f, "Param", "NXparameters") == NX_OK) { NXopengroup(f,"Param", "NXparameters"); int i; char string[CHAR_BUF_LENGTH]; for(i = 0; i < numipar; i++) { if (mcget_run_num() || (mcinputtable[i].val && strlen(mcinputtable[i].val))) { if (mcinputtable[i].par == NULL) strncpy(string, (mcinputtable[i].val ? mcinputtable[i].val : ""), CHAR_BUF_LENGTH); else (*mcinputtypes[mcinputtable[i].type].printer)(string, mcinputtable[i].par); nxprintf(f, mcinputtable[i].name, "%s", string); nxprintattr(f, mcinputtable[i].name, string); } } NXclosegroup(f); /* Param */ } /* NXparameters */ NXclosegroup(f); /* simulation */ } /* NXsimulation */ /* create a group to hold all links for all monitors */ NXmakegroup(f, "data", "NXdetector"); /* leave the NXentry opened (closed at exit) */ } /* NXentry */ } /* mcinfo_out_nexus */ /******************************************************************************* * mccomp_placement_type_nexus: * Places * - absolute (3x1) position * - absolute (3x3) rotation * - type / class of component instance into attributes under * entry/instrument/compname * requires: NXentry to be opened *******************************************************************************/ static void mccomp_placement_type_nexus(NXhandle nxhandle, char* component, Coords position, Rotation rotation, char* comptype) { /* open NeXus instrument group */ #ifdef USE_NEXUS if(nxhandle) { if (NXopengroup(nxhandle, "instrument", "NXinstrument") == NX_OK) { if (NXopengroup(nxhandle, "components", "NXdata") == NX_OK) { if (NXmakegroup(nxhandle, component, "NXdata") == NX_OK) { if (NXopengroup(nxhandle, component, "NXdata") == NX_OK) { int64_t pdims[3]; pdims[0]=3; pdims[1]=0; pdims[2]=0; if (NXcompmakedata64(nxhandle, "Position", NX_FLOAT64, 1, pdims, NX_COMPRESSION, pdims) == NX_OK) { if (NXopendata(nxhandle, "Position") == NX_OK) { double pos[3]; coords_get(position, &pos[0], &pos[1], &pos[2]); if (NXputdata (nxhandle, pos) == NX_OK) { NXclosedata(nxhandle); } else { fprintf(stderr, "COULD NOT PUT Position field for component %s\n",component); } } else { fprintf(stderr, "Warning: could not open Position field for component %s\n",component); } } int64_t rdims[3]; rdims[0]=3; rdims[1]=3; rdims[2]=0; if (NXcompmakedata64(nxhandle, "Rotation", NX_FLOAT64, 2, rdims, NX_COMPRESSION, rdims) == NX_OK) { if (NXopendata(nxhandle, "Rotation") == NX_OK) { if (NXputdata (nxhandle, rotation) == NX_OK) { NXclosedata(nxhandle); } else { fprintf(stderr, "COULD NOT PUT Rotation field for component %s\n",component); } } else { fprintf(stderr, "Warning: could not open Rotation field for component %s\n",component); } } nxprintf(nxhandle, "Component_type", comptype); NXclosegroup(nxhandle); // component } else { printf("FAILED to open comp data group %s\n",component); } } else { printf("FAILED to create comp data group %s\n",component); } NXclosegroup(nxhandle); // components } else { printf("Failed to open NeXus component hierarchy\n"); } NXclosegroup(nxhandle); // instrument } else { printf("Failed to open NeXus instrument hierarchy\n"); } } else { fprintf(stderr,"NO NEXUS FILE\n"); } #endif } /* mccomp_placement_nexus */ /******************************************************************************* * mccomp_param_nexus: * Output parameter/value pair for component instance into * the attribute * entry/instrument/compname/parameter * requires: NXentry to be opened *******************************************************************************/ static void mccomp_param_nexus(NXhandle nxhandle, char* component, char* parameter, char* defval, char* value, char* type) { /* open NeXus instrument group */ #ifdef USE_NEXUS if(nxhandle) { if (NXopengroup(nxhandle, "instrument", "NXinstrument") == NX_OK) { if (NXopengroup(nxhandle, "components", "NXdata") == NX_OK) { if (NXopengroup(nxhandle, component, "NXdata") == NX_OK) { NXMDisableErrorReporting(); /* inactivate NeXus error messages, as creation may fail */ NXmakegroup(nxhandle, "parameters", "NXdata"); NXMEnableErrorReporting(); /* re-enable NeXus error messages */ if (NXopengroup(nxhandle, "parameters", "NXdata") == NX_OK) { NXmakegroup(nxhandle, parameter, "NXnote"); if (NXopengroup(nxhandle, parameter, "NXnote") == NX_OK) { nxprintattr(nxhandle, "type", type); nxprintattr(nxhandle, "default", defval); nxprintattr(nxhandle, "value", value); NXclosegroup(nxhandle); // parameter } else { printf("FAILED to open parameters %s data group \n",parameter); } NXclosegroup(nxhandle); // "parameters" } else { printf("FAILED to open comp/parameters data group \n"); } NXclosegroup(nxhandle); // component } else { printf("FAILED to open comp data group %s\n",component); } NXclosegroup(nxhandle); // components } else { printf("Failed to open NeXus component hierarchy\n"); } NXclosegroup(nxhandle); // instrument } else { printf("Failed to open NeXus instrument hierarchy\n"); } } else { fprintf(stderr,"NO NEXUS FILE\n"); } #endif } /* mccomp_param_nexus */ /******************************************************************************* * mcdatainfo_out_nexus: output detector header * mcdatainfo_out_nexus(detector) create group and write info to NeXus data file * open data:NXdetector then filename:NXdata and write headers/attributes * requires: NXentry to be opened *******************************************************************************/ static void mcdatainfo_out_nexus(NXhandle f, MCDETECTOR detector) { char data_name[CHAR_BUF_LENGTH]; if (!f || !detector.m || mcdisable_output_files) return; strcpy_valid(data_name, strlen(detector.filename) ? detector.filename : detector.component); /* the NXdetector group has been created in mcinfo_out_nexus (siminfo_init) */ if (NXopengroup(f, "instrument", "NXinstrument") == NX_OK) { if (NXopengroup(f, "components", "NXdata") == NX_OK) { NXMDisableErrorReporting(); /* inactivate NeXus error messages, as creation may fail */ NXmakegroup(f, detector.nexuscomp, "NXdata"); if (NXopengroup(f, detector.nexuscomp, "NXdata") == NX_OK) { NXmakegroup(f, "output", "NXdetector"); if (NXopengroup(f, "output", "NXdetector") == NX_OK) { if (NXmakegroup(f, data_name, "NXdata") == NX_OK) { if (NXopengroup(f, data_name, "NXdata") == NX_OK) { /* output metadata (as attributes) ======================================== */ nxprintattr(f, "Date", detector.date); nxprintattr(f, "type", detector.type); nxprintattr(f, "Source", detector.instrument); nxprintattr(f, "component", detector.component); nxprintattr(f, "position", detector.position); nxprintattr(f, "title", detector.title); nxprintattr(f, !mcget_run_num() || mcget_run_num() >= mcget_ncount() ? "Ncount" : "ratio", detector.ncount); if (strlen(detector.filename)) { nxprintattr(f, "filename", detector.filename); } nxprintattr(f, "statistics", detector.statistics); nxprintattr(f, "signal", detector.signal); nxprintattr(f, "values", detector.values); if (detector.rank >= 1) { nxprintattr(f, "xvar", detector.xvar); nxprintattr(f, "yvar", detector.yvar); nxprintattr(f, "xlabel", detector.xlabel); nxprintattr(f, "ylabel", detector.ylabel); if (detector.rank > 1) { nxprintattr(f, "zvar", detector.zvar); nxprintattr(f, "zlabel", detector.zlabel); } } nxprintattr(f, abs(detector.rank)==1 ? "xlimits" : "xylimits", detector.limits); nxprintattr(f, "variables", strcasestr(detector.format, "list") ? detector.ylabel : detector.variables); NXclosegroup(f); // data_name } } } NXclosegroup(f); // output NXclosegroup(f); // detector.nexuscomp } NXclosegroup(f); // components } NXMEnableErrorReporting(); /* re-enable NeXus error messages */ NXclosegroup(f); // instrument } /* NXdetector (instrument) */ } /* mcdatainfo_out_nexus */ /******************************************************************************* * mcdetector_out_axis_nexus: write detector axis into current NXdata * requires: NXdata to be opened *******************************************************************************/ int mcdetector_out_axis_nexus(NXhandle f, char *label, char *var, int rank, long length, double min, double max) { if (!f || length <= 1 || mcdisable_output_files || max == min) return(NX_OK); else { double *axis; axis=malloc(sizeof(double)*length); if (!axis ) { printf("Fatal memory error allocating NeXus axis of length %li, exiting!\n", length); return(NX_ERROR); } char *valid; valid=malloc(sizeof(char)*CHAR_BUF_LENGTH); if (!valid ) { printf("Fatal memory error allocating label axis of length %li, exiting!\n", CHAR_BUF_LENGTH); free(axis); return(NX_ERROR); } int dim=(int)length; int i; int nprimary=1; /* create an axis from [min:max] */ for(i = 0; i < length; i++) axis[i] = min+(max-min)*(i+0.5)/length; /* create the data set */ strcpy_valid(valid, label); NXcompmakedata(f, valid, NX_FLOAT64, 1, &dim, NX_COMPRESSION, &dim); /* open it */ if (NXopendata(f, valid) != NX_OK) { fprintf(stderr, "Warning: could not open axis rank %i '%s' (NeXus)\n", rank, valid); free(axis); free(valid); return(NX_ERROR); } /* put the axis and its attributes */ NXputdata (f, axis); nxprintattr(f, "long_name", label); nxprintattr(f, "short_name", var); NXputattr (f, "axis", &rank, 1, NX_INT32); nxprintattr(f, "units", var); NXputattr (f, "primary", &nprimary, 1, NX_INT32); NXclosedata(f); free(axis); free(valid); return(NX_OK); } } /* mcdetector_out_axis_nexus */ /******************************************************************************* * mcdetector_out_array_nexus: write detector array into current NXdata (1D,2D) * requires: NXdata to be opened *******************************************************************************/ int mcdetector_out_array_nexus(NXhandle f, char *part, double *data, MCDETECTOR detector) { int64_t dims[3]={detector.m,detector.n,detector.p}; /* number of elements to write */ int64_t fulldims[3]={detector.m,detector.n,detector.p}; int signal=1; int exists=0; int64_t current_dims[3]={0,0,0}; int ret=NX_OK; if (!f || !data || !detector.m || mcdisable_output_files) return(NX_OK); /* when this is a list, we set 1st dimension to NX_UNLIMITED for creation */ if (strcasestr(detector.format, "list")) fulldims[0] = NX_UNLIMITED; /* create the data set in NXdata group */ NXMDisableErrorReporting(); /* inactivate NeXus error messages, as creation may fail */ ret = NXcompmakedata64(f, part, NX_FLOAT64, detector.rank, fulldims, NX_COMPRESSION, dims); if (ret != NX_OK) { /* failed: data set already exists */ int datatype=0; int rank=0; exists=1; /* inquire current size of data set (nb of events stored) */ NXopendata(f, part); NXgetinfo64(f, &rank, current_dims, &datatype); NXclosedata(f); } NXMEnableErrorReporting(); /* re-enable NeXus error messages */ /* open the data set */ if (NXopendata(f, part) == NX_ERROR) { fprintf(stderr, "Warning: could not open DataSet %s '%s' (NeXus)\n", part, detector.title); return(NX_ERROR); } if (strcasestr(detector.format, "list")) { current_dims[1] = current_dims[2] = 0; /* set starting location for writing slab */ NXputslab64(f, data, current_dims, dims); if (!exists) printf("Events: \"%s\"\n", strlen(detector.filename) ? detector.filename : detector.component); else printf("Append: \"%s\"\n", strlen(detector.filename) ? detector.filename : detector.component); } else { NXputdata (f, data); } if (strstr(part,"data") || strstr(part, "events")) { NXputattr(f, "signal", &signal, 1, NX_INT32); nxprintattr(f, "short_name", strlen(detector.filename) ? detector.filename : detector.component); } nxprintattr(f, "long_name", "%s '%s'", part, detector.title); NXclosedata(f); return(NX_OK); } /* mcdetector_out_array_nexus */ /******************************************************************************* * mcdetector_out_data_nexus: write detector axes+data into current NXdata * The data:NXdetector is opened, then filename:NXdata * requires: NXentry to be opened *******************************************************************************/ int mcdetector_out_data_nexus(NXhandle f, MCDETECTOR detector) { char data_name[CHAR_BUF_LENGTH]; if (!f || !detector.m || mcdisable_output_files) return(NX_OK); strcpy_valid(data_name, strlen(detector.filename) ? detector.filename : detector.component); NXlink pLink; /* the NXdetector group has been created in mcinfo_out_nexus (siminfo_init) */ if (NXopengroup(f, "instrument", "NXinstrument") == NX_OK) { if (NXopengroup(f, "components", "NXdata") == NX_OK) { if (NXopengroup(f, detector.nexuscomp, "NXdata") == NX_OK) { if (NXopengroup(f, "output", "NXdetector") == NX_OK) { /* the NXdata group has been created in mcdatainfo_out_nexus */ if (NXopengroup(f, data_name, "NXdata") == NX_OK) { MPI_MASTER( nxprintattr(f, "options", strlen(detector.options) ? detector.options : "None"); ); /* write axes, for histogram data sets, not for lists */ if (!strcasestr(detector.format, "list")) { mcdetector_out_axis_nexus(f, detector.xlabel, detector.xvar, 1, detector.m, detector.xmin, detector.xmax); mcdetector_out_axis_nexus(f, detector.ylabel, detector.yvar, 2, detector.n, detector.ymin, detector.ymax); mcdetector_out_axis_nexus(f, detector.zlabel, detector.zvar, 3, detector.p, detector.zmin, detector.zmax); } else { MPI_MASTER( nxprintattr(f, "dataset columns", strlen(detector.ylabel) ? detector.ylabel : "None"); ); } /* write the actual data (appended if already exists) */ if (!strcasestr(detector.format, "list") && !strcasestr(detector.format, "pixels")) { mcdetector_out_array_nexus(f, "data", detector.p1, detector); mcdetector_out_array_nexus(f, "errors", detector.p2, detector); mcdetector_out_array_nexus(f, "ncount", detector.p0, detector); } else if (strcasestr(detector.format, "pixels")) { mcdetector_out_array_nexus( f, "pixels", detector.p1, detector); } else { mcdetector_out_array_nexus( f, "events", detector.p1, detector); } NXclosegroup(f); NXopengroup(f, data_name, "NXdata"); NXgetgroupID(nxhandle, &pLink); NXclosegroup(f); } /* NXdata data_name*/ NXclosegroup(f); } /* NXdetector output */ NXclosegroup(f); } /* NXdata detector.nexuscomp */ NXclosegroup(f); } /* NXdata components */ NXclosegroup(f); } /* NXdata instrument */ if (!strcasestr(detector.format, "pixels")) { if (NXopengroup(f, "data", "NXdetector") == NX_OK) { NXmakelink(nxhandle, &pLink); NXclosegroup(f); } } return(NX_OK); } /* mcdetector_out_array_nexus */ #ifdef USE_MPI /******************************************************************************* * mcdetector_out_list_slaves: slaves send their list data to master which writes * requires: NXentry to be opened * WARNING: this method has a flaw: it requires all nodes to flush the lists * the same number of times. In case one node is just below the buffer size * when finishing (e.g. monitor_nd), it may not trigger save but others may. * Then the number of recv/send is not constant along nodes, and simulation stalls. *******************************************************************************/ MCDETECTOR mcdetector_out_list_slaves(MCDETECTOR detector) { int node_i=0; MPI_MASTER( printf("\n** MPI master gathering slave node list data ** \n"); ); if (mpi_node_rank != mpi_node_root) { /* MPI slave: slaves send their data to master: 2 MPI_Send calls */ /* m, n, p must be sent first, since all slaves do not have the same number of events */ int mnp[3]={detector.m,detector.n,detector.p}; if (mc_MPI_Send(mnp, 3, MPI_INT, mpi_node_root)!= MPI_SUCCESS) fprintf(stderr, "Warning: proc %i to master: MPI_Send mnp list error (mcdetector_out_list_slaves)\n", mpi_node_rank); if (!detector.p1 || mc_MPI_Send(detector.p1, mnp[0]*mnp[1]*mnp[2], MPI_DOUBLE, mpi_node_root) != MPI_SUCCESS) fprintf(stderr, "Warning: proc %i to master: MPI_Send p1 list error: mnp=%i (mcdetector_out_list_slaves)\n", mpi_node_rank, abs(mnp[0]*mnp[1]*mnp[2])); /* slaves are done: sent mnp and p1 */ } /* end slaves */ /* MPI master: receive data from slaves sequentially: 2 MPI_Recv calls */ if (mpi_node_rank == mpi_node_root) { for(node_i=0; node_i 1) { mcdetector_out_list_slaves(detector); } #endif /* USE_MPI */ return(detector); } /* mcdetector_out_2D_nexus */ MCDETECTOR mcdetector_out_3D_nexus(MCDETECTOR detector) { printf("Received detector from %s\n",detector.component); MPI_MASTER( mcdatainfo_out_nexus(nxhandle, detector); mcdetector_out_data_nexus(nxhandle, detector); ); return(detector); } /* mcdetector_out_3D_nexus */ #endif /* USE_NEXUS*/ /* ========================================================================== */ /* Main input functions */ /* DETECTOR_OUT_xD function calls -> ascii or NeXus */ /* ========================================================================== */ /******************************************************************************* * siminfo_init: open SIM and write header *******************************************************************************/ FILE *siminfo_init(FILE *f) { int exists=0; /* check format */ if (!mcformat || !strlen(mcformat) || !strcasecmp(mcformat, "MCSTAS") || !strcasecmp(mcformat, "MCXTRACE") || !strcasecmp(mcformat, "PGPLOT") || !strcasecmp(mcformat, "GNUPLOT") || !strcasecmp(mcformat, "MCCODE") || !strcasecmp(mcformat, "MATLAB")) { mcformat="McCode"; #ifdef USE_NEXUS } else if (strcasestr(mcformat, "NeXus")) { /* Do nothing */ #endif } else { fprintf(stderr, "Warning: You have requested the output format %s which is unsupported by this binary. Resetting to standard %s format.\n",mcformat ,"McCode"); mcformat="McCode"; } /* open the SIM file if not defined yet */ if (siminfo_file || mcdisable_output_files) return (siminfo_file); #ifdef USE_NEXUS /* only master writes NeXus header: calls NXopen(nxhandle) */ if (mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( siminfo_file = mcnew_file(siminfo_name, "h5", &exists); if(!siminfo_file) fprintf(stderr, "Warning: could not open simulation description file '%s'\n", siminfo_name); else mcinfo_out_nexus(nxhandle); ); return(siminfo_file); /* points to nxhandle */ } #endif /* write main description file (only MASTER) */ MPI_MASTER( siminfo_file = mcnew_file(siminfo_name, "sim", &exists); if(!siminfo_file) fprintf(stderr, "Warning: could not open simulation description file '%s'\n", siminfo_name); else { /* write SIM header */ time_t t=time(NULL); siminfo_out("%s simulation description file for %s.\n", MCCODE_NAME, instrument_name); siminfo_out("Date: %s", ctime(&t)); /* includes \n */ siminfo_out("Program: %s\n\n", MCCODE_STRING); siminfo_out("begin instrument: %s\n", instrument_name); mcinfo_out( " ", siminfo_file); siminfo_out("end instrument\n"); siminfo_out("\nbegin simulation: %s\n", dirname); mcruninfo_out(" ", siminfo_file); siminfo_out("end simulation\n"); } ); /* MPI_MASTER */ return (siminfo_file); } /* siminfo_init */ /******************************************************************************* * siminfo_close: close SIM *******************************************************************************/ void siminfo_close() { #ifdef USE_MPI if(mpi_node_rank == mpi_node_root) { #endif if(siminfo_file && !mcdisable_output_files) { #ifdef USE_NEXUS if (mcformat && strcasestr(mcformat, "NeXus")) { time_t t=time(NULL); nxprintf(nxhandle, "end_time", ctime(&t)); nxprintf(nxhandle, "duration", "%li", (long)t-mcstartdate); NXclosegroup(nxhandle); /* NXentry */ NXclose(&nxhandle); } else { #endif fclose(siminfo_file); #ifdef USE_NEXUS } #endif #ifdef USE_MPI } #endif siminfo_file = NULL; } } /* siminfo_close */ /******************************************************************************* * mcdetector_out_0D: wrapper for 0D (single value). * Output single detector/monitor data (p0, p1, p2). * Title is t, component name is c. *******************************************************************************/ MCDETECTOR mcdetector_out_0D(char *t, double p0, double p1, double p2, char *c, Coords posa, Rotation rota, int index) { /* import and perform basic detector analysis (and handle MPI reduce) */ MCDETECTOR detector = detector_import(mcformat, c, (t ? t : MCCODE_STRING " data"), 1, 1, 1, "I", "", "", "I", "", "", 0, 0, 0, 0, 0, 0, c, &p0, &p1, &p2, posa, rota, index); /* write Detector: line */ #ifdef USE_NEXUS if (strcasestr(detector.format, "NeXus")) return(mcdetector_out_0D_nexus(detector)); else #endif return(mcdetector_out_0D_ascii(detector)); } /* mcdetector_out_0D */ /******************************************************************************* * mcdetector_out_1D: wrapper for 1D. * Output 1d detector data (p0, p1, p2) for n bins linearly * distributed across the range x1..x2 (x1 is lower limit of first * bin, x2 is upper limit of last bin). Title is t, axis labels are xl * and yl. File name is f, component name is c. * * t: title * xl: x-label * yl: y-label * xvar: measured variable length * x1: x axus min * x2: x axis max * n: 1d data vector lenght * p0: pntr to start of data block#0 * p1: pntr to start of data block#1 * p2: pntr to start of data block#2 * f: filename * * Not included in the macro, and here forwarded to detector_import: * c: ? * posa: ? *******************************************************************************/ MCDETECTOR mcdetector_out_1D(char *t, char *xl, char *yl, char *xvar, double x1, double x2, long n, double *p0, double *p1, double *p2, char *f, char *c, Coords posa, Rotation rota, int index) { /* import and perform basic detector analysis (and handle MPI_Reduce) */ // detector_import calls mcdetector_statistics, which will return different // MCDETECTOR versions for 1-D data based on the value of mcformat. // MCDETECTOR detector = detector_import(mcformat, c, (t ? t : MCCODE_STRING " 1D data"), n, 1, 1, xl, yl, (n > 1 ? "Signal per bin" : " Signal"), xvar, "(I,I_err)", "I", x1, x2, 0, 0, 0, 0, f, p0, p1, p2, posa, rota, index); /* write Detector: line */ if (!detector.p1 || !detector.m) return(detector); #ifdef USE_NEXUS if (strcasestr(detector.format, "NeXus")) detector = mcdetector_out_1D_nexus(detector); else #endif detector = mcdetector_out_1D_ascii(detector); if (detector.p1 != p1 && detector.p1) { // mcdetector_statistics allocated memory but it hasn't been freed. free(detector.p1); // plus undo the other damage done there: detector.p0 = p0; // was set to NULL detector.p1 = p1; // was set to this_p1 detector.p2 = p2; // was set to NULL detector.m = detector.n; // (e.g., labs(n)) detector.n = 1; // not (n x n) detector.istransposed = n < 0 ? 1 : 0; } return detector; } /* mcdetector_out_1D */ /******************************************************************************* * mcdetector_out_2D: wrapper for 2D. * Special case for list: master creates file first, then slaves append their * blocks without header- * * t: title * xl: x-label * yl: y-label * x1: x axus min * x2: x axis max * y1: y axis min * y2: y axis max * m: dim 1 (x) size * n: dim 2 (y) size * p0: pntr to start of data block#0 * p1: pntr to start of data block#1 * p2: pntr to start of data block#2 * f: filename * * Not included in the macro, and here forwarded to detector_import: * c: ? * posa: ? * rota: ? *******************************************************************************/ MCDETECTOR mcdetector_out_2D(char *t, char *xl, char *yl, double x1, double x2, double y1, double y2, long m, long n, double *p0, double *p1, double *p2, char *f, char *c, Coords posa, Rotation rota, int index) { char xvar[CHAR_BUF_LENGTH]; char yvar[CHAR_BUF_LENGTH]; /* create short axes labels */ if (xl && strlen(xl)) { strncpy(xvar, xl, CHAR_BUF_LENGTH); xvar[2]='\0'; } else strcpy(xvar, "x"); if (yl && strlen(yl)) { strncpy(yvar, yl, CHAR_BUF_LENGTH); yvar[2]='\0'; } else strcpy(yvar, "y"); MCDETECTOR detector; /* import and perform basic detector analysis (and handle MPI_Reduce) */ if (labs(m) == 1) {/* n>1 on Y, m==1 on X: 1D, no X axis*/ detector = detector_import(mcformat, c, (t ? t : MCCODE_STRING " 1D data"), n, 1, 1, yl, "", "Signal per bin", yvar, "(I,Ierr)", "I", y1, y2, x1, x2, 0, 0, f, p0, p1, p2, posa, rota, index); /* write Detector: line */ } else if (labs(n)==1) {/* m>1 on X, n==1 on Y: 1D, no Y axis*/ detector = detector_import(mcformat, c, (t ? t : MCCODE_STRING " 1D data"), m, 1, 1, xl, "", "Signal per bin", xvar, "(I,Ierr)", "I", x1, x2, y1, y2, 0, 0, f, p0, p1, p2, posa, rota, index); /* write Detector: line */ }else { detector = detector_import(mcformat, c, (t ? t : MCCODE_STRING " 2D data"), m, n, 1, xl, yl, "Signal per bin", xvar, yvar, "I", x1, x2, y1, y2, 0, 0, f, p0, p1, p2, posa, rota, index); /* write Detector: line */ } if (!detector.p1 || !detector.m) return(detector); #ifdef USE_NEXUS if (strcasestr(detector.format, "NeXus")) return(mcdetector_out_2D_nexus(detector)); else #endif return(mcdetector_out_2D_ascii(detector)); } /* mcdetector_out_2D */ /******************************************************************************* * mcdetector_out_2D_list: List mode 2D including forwarding "options" from * Monitor_nD * * Special case for list: master creates file first, then slaves append their * blocks without header- * * t: title * xl: x-label * yl: y-label * x1: x axus min * x2: x axis max * y1: y axis min * y2: y axis max * m: dim 1 (x) size * n: dim 2 (y) size * p0: pntr to start of data block#0 * p1: pntr to start of data block#1 * p2: pntr to start of data block#2 * f: filename * * Not included in the macro, and here forwarded to detector_import: * c: ? * posa: ? * rota: ? *******************************************************************************/ MCDETECTOR mcdetector_out_2D_list(char *t, char *xl, char *yl, double x1, double x2, double y1, double y2, long m, long n, double *p0, double *p1, double *p2, char *f, char *c, Coords posa, Rotation rota, char* options, int index) { char xvar[CHAR_BUF_LENGTH]; char yvar[CHAR_BUF_LENGTH]; /* create short axes labels */ if (xl && strlen(xl)) { strncpy(xvar, xl, CHAR_BUF_LENGTH); xvar[2]='\0'; } else strcpy(xvar, "x"); if (yl && strlen(yl)) { strncpy(yvar, yl, CHAR_BUF_LENGTH); yvar[2]='\0'; } else strcpy(yvar, "y"); MCDETECTOR detector; /* import and perform basic detector analysis (and handle MPI_Reduce) */ if (labs(m) == 1) {/* n>1 on Y, m==1 on X: 1D, no X axis*/ detector = detector_import(mcformat, c, (t ? t : MCCODE_STRING " 1D data"), n, 1, 1, yl, "", "Signal per bin", yvar, "(I,Ierr)", "I", y1, y2, x1, x2, 0, 0, f, p0, p1, p2, posa, rota, index); /* write Detector: line */ } else if (labs(n)==1) {/* m>1 on X, n==1 on Y: 1D, no Y axis*/ detector = detector_import(mcformat, c, (t ? t : MCCODE_STRING " 1D data"), m, 1, 1, xl, "", "Signal per bin", xvar, "(I,Ierr)", "I", x1, x2, y1, y2, 0, 0, f, p0, p1, p2, posa, rota, index); /* write Detector: line */ }else { detector = detector_import(mcformat, c, (t ? t : MCCODE_STRING " 2D data"), m, n, 1, xl, yl, "Signal per bin", xvar, yvar, "I", x1, x2, y1, y2, 0, 0, f, p0, p1, p2, posa, rota, index); /* write Detector: line */ } MPI_MASTER( if (strlen(options)) { strcpy(detector.options,options); } else { strcpy(detector.options,"None"); } ); if (!detector.p1 || !detector.m) return(detector); #ifdef USE_NEXUS if (strcasestr(detector.format, "NeXus")) return(mcdetector_out_2D_nexus(detector)); else #endif return(mcdetector_out_2D_ascii(detector)); } /* mcdetector_out_2D_list */ /******************************************************************************* * mcdetector_out_list: wrapper for list output (calls out_2D with mcformat+"list"). * m=number of events, n=size of each event *******************************************************************************/ MCDETECTOR mcdetector_out_list(char *t, char *xl, char *yl, long m, long n, double *p1, char *f, char *c, Coords posa, Rotation rota, char* options, int index) { char format_new[CHAR_BUF_LENGTH]; char *format_org; MCDETECTOR detector; format_org = mcformat; strcpy(format_new, mcformat); strcat(format_new, " list"); mcformat = format_new; detector = mcdetector_out_2D_list(t, xl, yl, 1,labs(m),1,labs(n), m,n, NULL, p1, NULL, f, c, posa,rota,options, index); mcformat = format_org; return(detector); } /******************************************************************************* * mcuse_dir: set data/sim storage directory and create it, * or exit with error if exists ******************************************************************************/ static void mcuse_dir(char *dir) { if (!dir || !strlen(dir)) return; #ifdef MC_PORTABLE fprintf(stderr, "Error: " "Directory output cannot be used with portable simulation (mcuse_dir)\n"); exit(1); #else /* !MC_PORTABLE */ /* handle file://directory URL type */ if (strncmp(dir, "file://", strlen("file://"))) dirname = dir; else dirname = dir+strlen("file://"); #ifdef USE_MPI if(mpi_node_rank == mpi_node_root) { #endif int exists=0; DIR* handle = opendir(dirname); if (handle) { /* Directory exists. */ closedir(handle); exists=1; } if(mkdir(dirname, 0777)) { #ifndef DANSE if(!mcappend) { fprintf(stderr, "Error: unable to create directory '%s' (mcuse_dir)\n", dir); fprintf(stderr, "(Maybe the directory already exists?)\n"); #endif #ifdef USE_MPI MPI_Abort(MPI_COMM_WORLD, -1); #endif exit(-1); } } #ifdef USE_MPI } #endif /* remove trailing PATHSEP (if any) */ while (strlen(dirname) && dirname[strlen(dirname) - 1] == MC_PATHSEP_C) dirname[strlen(dirname) - 1]='\0'; #endif /* !MC_PORTABLE */ } /* mcuse_dir */ /******************************************************************************* * mcinfo: display instrument simulation info to stdout and exit *******************************************************************************/ static void mcinfo(void) { fprintf(stdout, "begin instrument: %s\n", instrument_name); mcinfo_out(" ", stdout); fprintf(stdout, "end instrument\n"); fprintf(stdout, "begin simulation: %s\n", dirname ? dirname : "."); mcruninfo_out(" ", stdout); fprintf(stdout, "end simulation\n"); exit(0); /* includes MPI_Finalize in MPI mode */ } /* mcinfo */ /******************************************************************************* * mcparameterinfo: display instrument parameter info to stdout and exit *******************************************************************************/ static void mcparameterinfo(void) { mcparameterinfo_out(" ", stdout); exit(0); /* includes MPI_Finalize in MPI mode */ } /* mcparameterinfo */ #endif /* ndef MCCODE_R_IO_C */ /* end of the I/O section =================================================== */ /******************************************************************************* * mcset_ncount: set total number of rays to generate *******************************************************************************/ void mcset_ncount(unsigned long long int count) { mcncount = count; } /* mcget_ncount: get total number of rays to generate */ unsigned long long int mcget_ncount(void) { return mcncount; } /* mcget_run_num: get curent number of rays */ /* Within the TRACE scope we are now using _particle->uid directly */ unsigned long long int mcget_run_num() // shuld be (_class_particle* _particle) somehow { /* This function only remains for the few cases outside TRACE where we need to know the number of simulated particles */ return mcrun_num; } /* mcsetn_arg: get ncount from a string argument */ static void mcsetn_arg(char *arg) { mcset_ncount((long long int) strtod(arg, NULL)); } /* mcsetseed: set the random generator seed from a string argument */ static void mcsetseed(char *arg) { mcseed = atol(arg); if(!mcseed) { // srandom(mcseed); //} else { fprintf(stderr, "Error: seed must not be zero (mcsetseed)\n"); exit(1); } } /* Following part is only embedded when not redundent with mccode-r.h ========= */ #ifndef MCCODE_H /* SECTION: MCDISPLAY support. =============================================== */ /******************************************************************************* * Just output MCDISPLAY keywords to be caught by an external plotter client. *******************************************************************************/ void mcdis_magnify(char *what){ // Do nothing here, better use interactive zoom from the tools } void mcdis_line(double x1, double y1, double z1, double x2, double y2, double z2){ printf("MCDISPLAY: multiline(2,%g,%g,%g,%g,%g,%g)\n", x1,y1,z1,x2,y2,z2); } void mcdis_dashed_line(double x1, double y1, double z1, double x2, double y2, double z2, int n){ int i; const double dx = (x2-x1)/(2*n+1); const double dy = (y2-y1)/(2*n+1); const double dz = (z2-z1)/(2*n+1); for(i = 0; i < n+1; i++) mcdis_line(x1 + 2*i*dx, y1 + 2*i*dy, z1 + 2*i*dz, x1 + (2*i+1)*dx, y1 + (2*i+1)*dy, z1 + (2*i+1)*dz); } void mcdis_multiline(int count, ...){ va_list ap; double x,y,z; printf("MCDISPLAY: multiline(%d", count); va_start(ap, count); while(count--) { x = va_arg(ap, double); y = va_arg(ap, double); z = va_arg(ap, double); printf(",%g,%g,%g", x, y, z); } va_end(ap); printf(")\n"); } void mcdis_rectangle(char* plane, double x, double y, double z, double width, double height){ /* draws a rectangle in the plane */ /* x is ALWAYS width and y is ALWAYS height */ if (strcmp("xy", plane)==0) { mcdis_multiline(5, x - width/2, y - height/2, z, x + width/2, y - height/2, z, x + width/2, y + height/2, z, x - width/2, y + height/2, z, x - width/2, y - height/2, z); } else if (strcmp("xz", plane)==0) { mcdis_multiline(5, x - width/2, y, z - height/2, x + width/2, y, z - height/2, x + width/2, y, z + height/2, x - width/2, y, z + height/2, x - width/2, y, z - height/2); } else if (strcmp("yz", plane)==0) { mcdis_multiline(5, x, y - height/2, z - width/2, x, y - height/2, z + width/2, x, y + height/2, z + width/2, x, y + height/2, z - width/2, x, y - height/2, z - width/2); } else { fprintf(stderr, "Error: Definition of plane %s unknown\n", plane); exit(1); } } void mcdis_circle(char *plane, double x, double y, double z, double r){ printf("MCDISPLAY: circle('%s',%g,%g,%g,%g)\n", plane, x, y, z, r); } void mcdis_new_circle(double x, double y, double z, double r, double nx, double ny, double nz){ printf("MCDISPLAY: new_circle(%g,%g,%g,%g,%g,%g,%g)\n", x, y, z, r, nx, ny, nz); } /* Draws a circle with center (x,y,z), radius (r), and in the plane * with normal (nx,ny,nz)*/ void mcdis_Circle(double x, double y, double z, double r, double nx, double ny, double nz){ int i; if(nx==0 && ny && nz==0){ for (i=0;i<24; i++){ mcdis_line(x+r*sin(i*2*PI/24),y,z+r*cos(i*2*PI/24), x+r*sin((i+1)*2*PI/24),y,z+r*cos((i+1)*2*PI/24)); } }else{ double mx,my,mz; /*generate perpendicular vector using (nx,ny,nz) and (0,1,0)*/ vec_prod(mx,my,mz, 0,1,0, nx,ny,nz); NORM(mx,my,mz); /*draw circle*/ for (i=0;i<24; i++){ double ux,uy,uz; double wx,wy,wz; rotate(ux,uy,uz, mx,my,mz, i*2*PI/24, nx,ny,nz); rotate(wx,wy,wz, mx,my,mz, (i+1)*2*PI/24, nx,ny,nz); mcdis_line(x+ux*r,y+uy*r,z+uz*r, x+wx*r,y+wy*r,z+wz*r); } } } /* OLD IMPLEMENTATION draws a box with center at (x, y, z) and width (deltax), height (deltay), length (deltaz) */ void mcdis_legacy_box(double x, double y, double z, double width, double height, double length){ mcdis_rectangle("xy", x, y, z-length/2, width, height); mcdis_rectangle("xy", x, y, z+length/2, width, height); mcdis_line(x-width/2, y-height/2, z-length/2, x-width/2, y-height/2, z+length/2); mcdis_line(x-width/2, y+height/2, z-length/2, x-width/2, y+height/2, z+length/2); mcdis_line(x+width/2, y-height/2, z-length/2, x+width/2, y-height/2, z+length/2); mcdis_line(x+width/2, y+height/2, z-length/2, x+width/2, y+height/2, z+length/2); } /* NEW 3D IMPLEMENTATION OF BOX SUPPORTS HOLLOW ALSO draws a box with center at (x, y, z) and width (deltax), height (deltay), length (deltaz) */ void mcdis_box(double x, double y, double z, double width, double height, double length, double thickness, double nx, double ny, double nz){ if (mcdotrace==2) { printf("MCDISPLAY: box(%g,%g,%g,%g,%g,%g,%g,%g,%g,%g)\n", x, y, z, width, height, length, thickness, nx, ny, nz); } else { mcdis_legacy_box(x, y, z, width, height, length); if (thickness) mcdis_legacy_box(x, y, z, width-thickness, height-thickness, length); } } /* OLD IMPLEMENTATION Draws a cylinder with center at (x,y,z) with extent (r,height). * The cylinder axis is along the vector nx,ny,nz. */ void mcdis_legacy_cylinder( double x, double y, double z, double r, double height, int N, double nx, double ny, double nz){ int i; /*no lines make little sense - so trigger the default*/ if(N<=0) N=5; NORM(nx,ny,nz); double h_2=height/2.0; mcdis_Circle(x+nx*h_2,y+ny*h_2,z+nz*h_2,r,nx,ny,nz); mcdis_Circle(x-nx*h_2,y-ny*h_2,z-nz*h_2,r,nx,ny,nz); double mx,my,mz; /*generate perpendicular vector using (nx,ny,nz) and (0,1,0)*/ if(nx==0 && ny && nz==0){ mx=my=0;mz=1; }else{ vec_prod(mx,my,mz, 0,1,0, nx,ny,nz); NORM(mx,my,mz); } /*draw circle*/ for (i=0; i<24; i++){ double ux,uy,uz; rotate(ux,uy,uz, mx,my,mz, i*2*PI/24, nx,ny,nz); mcdis_line(x+nx*h_2+ux*r, y+ny*h_2+uy*r, z+nz*h_2+uz*r, x-nx*h_2+ux*r, y-ny*h_2+uy*r, z-nz*h_2+uz*r); } } /* NEW 3D IMPLEMENTATION ALSO SUPPORTING HOLLOW Draws a cylinder with center at (x,y,z) with extent (r,height). * The cylinder axis is along the vector nx,ny,nz.*/ void mcdis_cylinder( double x, double y, double z, double r, double height, double thickness, double nx, double ny, double nz){ if (mcdotrace==2) { printf("MCDISPLAY: cylinder(%g, %g, %g, %g, %g, %g, %g, %g, %g)\n", x, y, z, r, height, thickness, nx, ny, nz); } else { mcdis_legacy_cylinder(x, y, z, r, height, 12, nx, ny, nz); } } /* Draws a cone with center at (x,y,z) with extent (r,height). * The cone axis is along the vector nx,ny,nz.*/ void mcdis_cone( double x, double y, double z, double r, double height, double nx, double ny, double nz){ if (mcdotrace==2) { printf("MCDISPLAY: cone(%g, %g, %g, %g, %g, %g, %g, %g)\n", x, y, z, r, height, nx, ny, nz); } else { mcdis_Circle(x, y, z, r, nx, ny, nz); mcdis_Circle(x+0.25*height*nx, y+0.25*height*ny, z+0.25*height*nz, 0.75*r, nx, ny, nz); mcdis_Circle(x+0.5*height*nx, y+0.5*height*ny, z+0.5*height*nz, 0.5*r, nx, ny, nz); mcdis_Circle(x+0.75*height*nx, y+0.75*height*ny, z+0.75*height*nz, 0.25*r, nx, ny, nz); mcdis_line(x, y, z, x+height*nx, y+height*ny, z+height*nz); } } /* Draws a disc with center at (x,y,z) with extent (r). * The disc axis is along the vector nx,ny,nz.*/ void mcdis_disc( double x, double y, double z, double r, double nx, double ny, double nz){ printf("MCDISPLAY: disc(%g, %g, %g, %g, %g, %g, %g)\n", x, y, z, r, nx, ny, nz); } /* Draws a annulus with center at (x,y,z) with extent (outer_radius) and remove inner_radius. * The annulus axis is along the vector nx,ny,nz.*/ void mcdis_annulus( double x, double y, double z, double outer_radius, double inner_radius, double nx, double ny, double nz){ printf("MCDISPLAY: annulus(%g, %g, %g, %g, %g, %g, %g, %g)\n", x, y, z, outer_radius, inner_radius, nx, ny, nz); } /* draws a sphere with center at (x,y,z) with extent (r)*/ void mcdis_sphere(double x, double y, double z, double r){ if (mcdotrace==2) { printf("MCDISPLAY: sphere(%g,%g,%g,%g)\n", x, y, z, r); } else { double nx,ny,nz; int i; int N=12; nx=0;ny=0;nz=1; mcdis_Circle(x,y,z,r,nx,ny,nz); for (i=1;i 3) { /* Split in triangles - as many as polygon rank */ faceSize=count; vtxSize=count+1; } else { faceSize=1; vtxSize=count; } for (int i = 0; i < faceSize;) { int num_indices = 3; estimated_size += FACE_OVERHEAD_BASE + num_indices * FACE_INDEX_OVERHEAD; i += num_indices + 1; } char *json_string = malloc(estimated_size); if (json_string == NULL) { fprintf(stderr, "Memory allocation failed.\n"); return; } char *ptr = json_string; ptr += sprintf(ptr, "{ \"vertices\": ["); if (count==3) { // Single, basic triangle ptr += sprintf(ptr, "[%g, %g, %g], [%g, %g, %g], [%g, %g, %g]", x[0], y[0], z[0], x[1], y[1], z[1], x[2], y[2], z[2]); } else { for (int i = 0; i < vtxSize-1; i++) { ptr += sprintf(ptr, "[%g, %g, %g]", x[i], y[i], z[i]); if (i < vtxSize - 2) { ptr += sprintf(ptr, ", "); } else { ptr += sprintf(ptr, ", [%g, %g, %g]", x0, y0, z0); } } } ptr += sprintf(ptr, "], \"faces\": ["); if (count==3) { // Single, basic triangle, 1 face... ptr += sprintf(ptr, "{ \"face\": ["); ptr += sprintf(ptr, "0, 1, 2"); ptr += sprintf(ptr, "]}"); } else { for (int i = 0; i < faceSize; i++) { int num = 3; ptr += sprintf(ptr, "{ \"face\": ["); if (i < faceSize - 1) { ptr += sprintf(ptr, "%d, %d, %d",i,i+1,count); } else { ptr += sprintf(ptr, "%d, %d, %d",i,count,0); } ptr += sprintf(ptr, "]}"); if (i < faceSize-1) { ptr += sprintf(ptr, ", "); } } } ptr += sprintf(ptr, "]}"); mcdis_polyhedron(json_string); free(json_string); } free(x);free(y);free(z); } /* END NEW POLYGON IMPLEMENTATION*/ /* void mcdis_polygon(double x1, double y1, double z1, double x2, double y2, double z2){ printf("MCDISPLAY: polygon(2,%g,%g,%g,%g,%g,%g)\n", x1,y1,z1,x2,y2,z2); } */ /* SECTION: coordinates handling ============================================ */ /******************************************************************************* * Since we use a lot of geometric calculations using Cartesian coordinates, * we collect some useful routines here. However, it is also permissible to * work directly on the underlying struct coords whenever that is most * convenient (that is, the type Coords is not abstract). * * Coordinates are also used to store rotation angles around x/y/z axis. * * Since coordinates are used much like a basic type (such as double), the * structure itself is passed and returned, rather than a pointer. * * At compile-time, the values of the coordinates may be unknown (for example * a motor position). Hence coordinates are general expressions and not simple * numbers. For this we used the type Coords_exp which has three CExp * fields. For runtime (or calculations possible at compile time), we use * Coords which contains three double fields. *******************************************************************************/ /* coords_set: Assign coordinates. */ Coords coords_set(MCNUM x, MCNUM y, MCNUM z) { Coords a; a.x = x; a.y = y; a.z = z; return a; } /* coords_get: get coordinates. Required when 'x','y','z' are #defined as ray pars */ Coords coords_get(Coords a, MCNUM *x, MCNUM *y, MCNUM *z) { *x = a.x; *y = a.y; *z = a.z; return a; } /* coords_add: Add two coordinates. */ Coords coords_add(Coords a, Coords b) { Coords c; c.x = a.x + b.x; c.y = a.y + b.y; c.z = a.z + b.z; if (fabs(c.z) < 1e-14) c.z=0.0; return c; } /* coords_sub: Subtract two coordinates. */ Coords coords_sub(Coords a, Coords b) { Coords c; c.x = a.x - b.x; c.y = a.y - b.y; c.z = a.z - b.z; if (fabs(c.z) < 1e-14) c.z=0.0; return c; } /* coords_neg: Negate coordinates. */ Coords coords_neg(Coords a) { Coords b; b.x = -a.x; b.y = -a.y; b.z = -a.z; return b; } /* coords_scale: Scale a vector. */ Coords coords_scale(Coords b, double scale) { Coords a; a.x = b.x*scale; a.y = b.y*scale; a.z = b.z*scale; return a; } /* coords_sp: Scalar product: a . b */ double coords_sp(Coords a, Coords b) { double value; value = a.x*b.x + a.y*b.y + a.z*b.z; return value; } /* coords_xp: Cross product: a = b x c. */ Coords coords_xp(Coords b, Coords c) { Coords a; a.x = b.y*c.z - c.y*b.z; a.y = b.z*c.x - c.z*b.x; a.z = b.x*c.y - c.x*b.y; return a; } /* coords_len: Gives length of coords set. */ double coords_len(Coords a) { return sqrt(a.x*a.x + a.y*a.y + a.z*a.z); } /* coords_mirror: Mirror a in plane (through the origin) defined by normal n*/ Coords coords_mirror(Coords a, Coords n) { double t = scalar_prod(n.x, n.y, n.z, n.x, n.y, n.z); Coords b; if (t!=1) { t = sqrt(t); n.x /= t; n.y /= t; n.z /= t; } t=scalar_prod(a.x, a.y, a.z, n.x, n.y, n.z); b.x = a.x-2*t*n.x; b.y = a.y-2*t*n.y; b.z = a.z-2*t*n.z; return b; } /* coords_print: Print out vector values. */ void coords_print(Coords a) { #ifndef OPENACC fprintf(stdout, "(%f, %f, %f)\n", a.x, a.y, a.z); #endif return; } mcstatic void coords_norm(Coords* c) { double temp = coords_sp(*c,*c); // Skip if we will end dividing by zero if (temp == 0) return; temp = sqrt(temp); c->x /= temp; c->y /= temp; c->z /= temp; } /* coords_test_zero: check if zero vector*/ int coords_test_zero(Coords a){ return ( a.x==0 && a.y==0 && a.z==0 ); } /******************************************************************************* * The Rotation type implements a rotation transformation of a coordinate * system in the form of a double[3][3] matrix. * * Contrary to the Coords type in coords.c, rotations are passed by * reference. Functions that yield new rotations do so by writing to an * explicit result parameter; rotations are not returned from functions. The * reason for this is that arrays cannot by returned from functions (though * structures can; thus an alternative would have been to wrap the * double[3][3] array up in a struct). Such are the ways of C programming. * * A rotation represents the tranformation of the coordinates of a vector when * changing between coordinate systems that are rotated with respect to each * other. For example, suppose that coordinate system Q is rotated 45 degrees * around the Z axis with respect to coordinate system P. Let T be the * rotation transformation representing a 45 degree rotation around Z. Then to * get the coordinates of a vector r in system Q, apply T to the coordinates * of r in P. If r=(1,0,0) in P, it will be (sqrt(1/2),-sqrt(1/2),0) in * Q. Thus we should be careful when interpreting the sign of rotation angles: * they represent the rotation of the coordinate systems, not of the * coordinates (which has opposite sign). *******************************************************************************/ /******************************************************************************* * rot_set_rotation: Get transformation for rotation first phx around x axis, * then phy around y, then phz around z. *******************************************************************************/ void rot_set_rotation(Rotation t, double phx, double phy, double phz) { if ((phx == 0) && (phy == 0) && (phz == 0)) { t[0][0] = 1.0; t[0][1] = 0.0; t[0][2] = 0.0; t[1][0] = 0.0; t[1][1] = 1.0; t[1][2] = 0.0; t[2][0] = 0.0; t[2][1] = 0.0; t[2][2] = 1.0; } else { double cx = cos(phx); double sx = sin(phx); double cy = cos(phy); double sy = sin(phy); double cz = cos(phz); double sz = sin(phz); t[0][0] = cy*cz; t[0][1] = sx*sy*cz + cx*sz; t[0][2] = sx*sz - cx*sy*cz; t[1][0] = -cy*sz; t[1][1] = cx*cz - sx*sy*sz; t[1][2] = sx*cz + cx*sy*sz; t[2][0] = sy; t[2][1] = -sx*cy; t[2][2] = cx*cy; } } /******************************************************************************* * rot_test_identity: Test if rotation is identity *******************************************************************************/ int rot_test_identity(Rotation t) { return (t[0][0] + t[1][1] + t[2][2] == 3); } /******************************************************************************* * rot_mul: Matrix multiplication of transformations (this corresponds to * combining transformations). After rot_mul(T1, T2, T3), doing T3 is * equal to doing first T2, then T1. * Note that T3 must not alias (use the same array as) T1 or T2. *******************************************************************************/ void rot_mul(Rotation t1, Rotation t2, Rotation t3) { if (rot_test_identity(t1)) { rot_copy(t3, t2); } else if (rot_test_identity(t2)) { rot_copy(t3, t1); } else { int i,j; for(i = 0; i < 3; i++) for(j = 0; j < 3; j++) t3[i][j] = t1[i][0]*t2[0][j] + t1[i][1]*t2[1][j] + t1[i][2]*t2[2][j]; } } /******************************************************************************* * rot_copy: Copy a rotation transformation (arrays cannot be assigned in C). *******************************************************************************/ void rot_copy(Rotation dest, Rotation src) { int i,j; for(i = 0; i < 3; i++) for(j = 0; j < 3; j++) dest[i][j] = src[i][j]; } /******************************************************************************* * rot_transpose: Matrix transposition, which is inversion for Rotation matrices *******************************************************************************/ void rot_transpose(Rotation src, Rotation dst) { dst[0][0] = src[0][0]; dst[0][1] = src[1][0]; dst[0][2] = src[2][0]; dst[1][0] = src[0][1]; dst[1][1] = src[1][1]; dst[1][2] = src[2][1]; dst[2][0] = src[0][2]; dst[2][1] = src[1][2]; dst[2][2] = src[2][2]; } /******************************************************************************* * rot_apply: returns t*a *******************************************************************************/ Coords rot_apply(Rotation t, Coords a) { Coords b; if (rot_test_identity(t)) { return a; } else { b.x = t[0][0]*a.x + t[0][1]*a.y + t[0][2]*a.z; b.y = t[1][0]*a.x + t[1][1]*a.y + t[1][2]*a.z; b.z = t[2][0]*a.x + t[2][1]*a.y + t[2][2]*a.z; return b; } } /** * Pretty-printing of rotation matrices. */ void rot_print(Rotation rot) { printf("[ %4.2f %4.2f %4.2f ]\n", rot[0][0], rot[0][1], rot[0][2]); printf("[ %4.2f %4.2f %4.2f ]\n", rot[1][0], rot[1][1], rot[1][2]); printf("[ %4.2f %4.2f %4.2f ]\n\n", rot[2][0], rot[2][1], rot[2][2]); } /** * Vector product: used by vec_prod (mccode-r.h). Use coords_xp for Coords. */ void vec_prod_func(double *x, double *y, double *z, double x1, double y1, double z1, double x2, double y2, double z2) { *x = (y1)*(z2) - (y2)*(z1); *y = (z1)*(x2) - (z2)*(x1); *z = (x1)*(y2) - (x2)*(y1); } /** * Scalar product: use coords_sp for Coords. */ double scalar_prod( double x1, double y1, double z1, double x2, double y2, double z2) { return ((x1 * x2) + (y1 * y2) + (z1 * z2)); } mcstatic void norm_func(double *x, double *y, double *z) { double temp = (*x * *x) + (*y * *y) + (*z * *z); if (temp != 0) { temp = sqrt(temp); *x /= temp; *y /= temp; *z /= temp; } } /* SECTION: GPU algorithms ================================================== */ /* * Divide-and-conquer strategy for parallelizing this task: Sort absorbed * particles last. * * particles: the particle array, required to checking _absorbed * pbuffer: same-size particle buffer array required for parallel sort * len: sorting area-of-interest size (e.g. from previous calls) * buffer_len: total array size * flag_split: if set, multiply live particles into absorbed slots, up to buffer_len * multiplier: output arg, becomes the SPLIT multiplier if flag_split is set */ #ifdef FUNNEL long sort_absorb_last(_class_particle* particles, _class_particle* pbuffer, long len, long buffer_len, long flag_split, long* multiplier) { #define SAL_THREADS 1024 // num parallel sections if (len_absorbed)); // return (no SPLIT) if (flag_split != 1) return accumlen; // SPLIT - repeat the non-absorbed block N-1 times, where len % accumlen = N + R int mult = buffer_len / accumlen; // TODO: possibly use a new arg, bufferlen, rather than len // not enough space for full-block split, return if (mult <= 1) return accumlen; // copy non-absorbed block #pragma acc parallel loop present(particles[0:buffer_len]) for (long tidx = 0; tidx < accumlen; tidx++) { // tidx: thread index randstate_t randstate[7]; _class_particle sourcebuffer; _class_particle targetbuffer; // assign reduced weight to all particles particles[tidx].p=particles[tidx].p/mult; #pragma acc loop seq for (long bidx = 1; bidx < mult; bidx++) { // bidx: block index // preserve absorbed particle (for randstate) sourcebuffer = particles[bidx*accumlen + tidx]; // buffer full particle struct targetbuffer = particles[tidx]; // reassign previous randstate targetbuffer.randstate[0] = sourcebuffer.randstate[0]; targetbuffer.randstate[1] = sourcebuffer.randstate[1]; targetbuffer.randstate[2] = sourcebuffer.randstate[2]; targetbuffer.randstate[3] = sourcebuffer.randstate[3]; targetbuffer.randstate[4] = sourcebuffer.randstate[4]; targetbuffer.randstate[5] = sourcebuffer.randstate[5]; targetbuffer.randstate[6] = sourcebuffer.randstate[6]; // apply particles[bidx*accumlen + tidx] = targetbuffer; } } // set out split multiplier value *multiplier = mult; // return expanded array size return accumlen * mult; } #endif /* * Fallback serial version of the one above. */ long sort_absorb_last_serial(_class_particle* particles, long len) { long i = 0; long j = len - 1; _class_particle pbuffer; // bubble while (i < j) { while (!particles[i]._absorbed && ix; b.y = particle->y; b.z = particle->z; c = rot_apply(t, b); b = coords_add(c, a); particle->x = b.x; particle->y = b.y; particle->z = b.z; #if MCCODE_PARTICLE_CODE == 2112 if (particle->vz != 0.0 || particle->vx != 0.0 || particle->vy != 0.0) mccoordschange_polarisation(t, &(particle->vx), &(particle->vy), &(particle->vz)); if (particle->sz != 0.0 || particle->sx != 0.0 || particle->sy != 0.0) mccoordschange_polarisation(t, &(particle->sx), &(particle->sy), &(particle->sz)); #elif MCCODE_PARTICLE_CODE == 22 if (particle->kz != 0.0 || particle->kx != 0.0 || particle->ky != 0.0) mccoordschange_polarisation(t, &(particle->kx), &(particle->ky), &(particle->kz)); if (particle->Ez != 0.0 || particle->Ex != 0.0 || particle->Ey != 0.0) mccoordschange_polarisation(t, &(particle->Ex), &(particle->Ey), &(particle->Ez)); #endif } /******************************************************************************* * mccoordschange_polarisation: applies rotation to vector (sx sy sz) *******************************************************************************/ void mccoordschange_polarisation(Rotation t, double *sx, double *sy, double *sz) { Coords b, c; b.x = *sx; b.y = *sy; b.z = *sz; c = rot_apply(t, b); *sx = c.x; *sy = c.y; *sz = c.z; } /* SECTION: vector math ==================================================== */ /* normal_vec_func: Compute normal vector to (x,y,z). */ void normal_vec(double *nx, double *ny, double *nz, double x, double y, double z) { double ax = fabs(x); double ay = fabs(y); double az = fabs(z); double l; if(x == 0 && y == 0 && z == 0) { *nx = 0; *ny = 0; *nz = 0; return; } if(ax < ay) { if(ax < az) { /* Use X axis */ l = sqrt(z*z + y*y); *nx = 0; *ny = z/l; *nz = -y/l; return; } } else { if(ay < az) { /* Use Y axis */ l = sqrt(z*z + x*x); *nx = z/l; *ny = 0; *nz = -x/l; return; } } /* Use Z axis */ l = sqrt(y*y + x*x); *nx = y/l; *ny = -x/l; *nz = 0; } /* normal_vec */ /******************************************************************************* * solve_2nd_order: second order equation solve: A*t^2 + B*t + C = 0 * solve_2nd_order(&t1, NULL, A,B,C) * returns 0 if no solution was found, or set 't1' to the smallest positive * solution. * solve_2nd_order(&t1, &t2, A,B,C) * same as with &t2=NULL, but also returns the second solution. * EXAMPLE usage for intersection of a trajectory with a plane in gravitation * field (gx,gy,gz): * The neutron starts at point r=(x,y,z) with velocityv=(vx vy vz). The plane * has a normal vector n=(nx,ny,nz) and contains the point W=(wx,wy,wz). * The problem consists in solving the 2nd order equation: * 1/2.n.g.t^2 + n.v.t + n.(r-W) = 0 * so that A = 0.5 n.g; B = n.v; C = n.(r-W); * Without acceleration, t=-n.(r-W)/n.v ******************************************************************************/ int solve_2nd_order_old(double *t1, double *t2, double A, double B, double C) { int ret=0; if (!t1) return 0; *t1 = 0; if (t2) *t2=0; if (fabs(A) < 1E-10) /* approximate to linear equation: A ~ 0 */ { if (B) { *t1 = -C/B; ret=1; if (t2) *t2=*t1; } /* else no intersection: A=B=0 ret=0 */ } else { double D; D = B*B - 4*A*C; if (D >= 0) /* Delta > 0: two solutions */ { double sD, dt1, dt2; sD = sqrt(D); dt1 = (-B + sD)/2/A; dt2 = (-B - sD)/2/A; /* we identify very small values with zero */ if (fabs(dt1) < 1e-10) dt1=0.0; if (fabs(dt2) < 1e-10) dt2=0.0; /* now we choose the smallest positive solution */ if (dt1<=0.0 && dt2>0.0) ret=2; /* dt2 positive */ else if (dt2<=0.0 && dt1>0.0) ret=1; /* dt1 positive */ else if (dt1> 0.0 && dt2>0.0) { if (dt1 < dt2) ret=1; else ret=2; } /* all positive: min(dt1,dt2) */ /* else two solutions are negative. ret=-1 */ if (ret==1) { *t1 = dt1; if (t2) *t2=dt2; } else { *t1 = dt2; if (t2) *t2=dt1; } ret=2; /* found 2 solutions and t1 is the positive one */ } /* else Delta <0: no intersection. ret=0 */ } return(ret); } /* solve_2nd_order */ int solve_2nd_order(double *t0, double *t1, double A, double B, double C){ int retval=0; double sign=copysign(1.0,B); double dt0,dt1; dt0=0; dt1=0; if(t1){ *t1=0;} /*protect against rounding errors by locally equating DBL_EPSILON with 0*/ if (fabs(A)=0){ dt0=(-B - sign*sqrt(B*B-4*A*C))/(2*A); dt1=C/(A*dt0); retval=2; }else{ /*no real roots*/ retval=0; } } /*sort the solutions*/ if (retval==1){ /*put both solutions in t0 and t1*/ *t0=dt0; if(t1) *t1=dt1; }else{ /*we have two solutions*/ /*swap if both are positive and t1 smaller than t0 or t1 the only positive*/ int swap=0; if(dt1>0 && ( dt1) * * If height or width is zero, choose random direction in full 4PI, no target. * * Traditionally, this routine had the name randvec_target_rect - this is now a * a define (see mcstas-r.h) pointing here. If you use the old rouine, you are NOT * taking the local emmission coordinate into account. *******************************************************************************/ void _randvec_target_rect_real(double *xo, double *yo, double *zo, double *solid_angle, double xi, double yi, double zi, double width, double height, Rotation A, double lx, double ly, double lz, int order, _class_particle* _particle) { double dx, dy, dist, dist_p, nx, ny, nz, mx, my, mz, n_norm, m_norm; double cos_theta; Coords tmp; Rotation Ainverse; rot_transpose(A, Ainverse); if(height == 0.0 || width == 0.0) { randvec_target_circle(xo, yo, zo, solid_angle, xi, yi, zi, 0); return; } else { /* Now choose point uniformly on rectangle within width x height */ dx = width*randpm1()/2.0; dy = height*randpm1()/2.0; /* Determine distance to target plane*/ dist = sqrt(xi*xi + yi*yi + zi*zi); /* Go to global coordinate system */ tmp = coords_set(xi, yi, zi); tmp = rot_apply(Ainverse, tmp); coords_get(tmp, &xi, &yi, &zi); /* Determine vector normal to trajectory axis (z) and gravity [0 1 0] */ vec_prod(nx, ny, nz, xi, yi, zi, 0, 1, 0); /* This now defines the x-axis, normalize: */ n_norm=sqrt(nx*nx + ny*ny + nz*nz); nx = nx/n_norm; ny = ny/n_norm; nz = nz/n_norm; /* Now, determine our y-axis (vertical in many cases...) */ vec_prod(mx, my, mz, xi, yi, zi, nx, ny, nz); m_norm=sqrt(mx*mx + my*my + mz*mz); mx = mx/m_norm; my = my/m_norm; mz = mz/m_norm; /* Our output, random vector can now be defined by linear combination: */ *xo = xi + dx * nx + dy * mx; *yo = yi + dx * ny + dy * my; *zo = zi + dx * nz + dy * mz; /* Go back to local coordinate system */ tmp = coords_set(*xo, *yo, *zo); tmp = rot_apply(A, tmp); coords_get(tmp, &*xo, &*yo, &*zo); /* Go back to local coordinate system */ tmp = coords_set(xi, yi, zi); tmp = rot_apply(A, tmp); coords_get(tmp, &xi, &yi, &zi); if (solid_angle) { /* Calculate vector from local point to remote random point */ lx = *xo - lx; ly = *yo - ly; lz = *zo - lz; dist_p = sqrt(lx*lx + ly*ly + lz*lz); /* Adjust the 'solid angle' */ /* 1/r^2 to the chosen point times cos(\theta) between the normal */ /* vector of the target rectangle and direction vector of the chosen point. */ cos_theta = (xi * lx + yi * ly + zi * lz) / (dist * dist_p); *solid_angle = width * height / (dist_p * dist_p); int counter; for (counter = 0; counter < order; counter++) { *solid_angle = *solid_angle * cos_theta; } } } } /* randvec_target_rect_real */ /* SECTION: random numbers ================================================== How to add a new RNG: - Use an rng with a manegable state vector, e.g. of lengt 4 or 7. The state will sit on the particle struct as a "randstate_t state[RANDSTATE_LEN]" - If the rng has a long state (as MT), set an empty "srandom" and initialize it explicitly using the appropriate define (RNG_ALG) - Add a seed and a random function (the transforms will be reused) - Write the proper defines in mccode-r.h, e.g. randstate_t and RANDSTATE_LEN, srandom and random. - Compile using -DRNG_ALG= ============================================================================= */ /* "Mersenne Twister", by Makoto Matsumoto and Takuji Nishimura. */ /* See http://www.math.keio.ac.jp/~matumoto/emt.html for original source. */ /* A C-program for MT19937, with initialization improved 2002/1/26. Coded by Takuji Nishimura and Makoto Matsumoto. Before using, initialize the state by using mt_srandom(seed) or init_by_array(init_key, key_length). Copyright (C) 1997 - 2002, Makoto Matsumoto and Takuji Nishimura, All rights reserved. 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Any feedback is very welcome. http://www.math.keio.ac.jp/matumoto/emt.html email: matumoto@math.keio.ac.jp */ #include #include // for uint32_t #include // for size_t /* Period parameters */ #define N 624 #define M 397 #define MATRIX_A 0x9908b0dfU /* constant vector a */ #define UPPER_MASK 0x80000000U /* most significant w-r bits */ #define LOWER_MASK 0x7fffffffU /* least significant r bits */ static uint32_t mt[N]; /* the array for the state vector */ static int mti = N + 1; /* mti==N+1 means mt[N] is not initialized */ // Required for compatibility with common RNG interface (e.g., kiss/mt polymorphism) void mt_srandom_empty(void) {} // Initializes mt[N] with a seed void mt_srandom(uint32_t seed) { mt[0] = seed; for (mti = 1; mti < N; mti++) { mt[mti] = 1812433253U * (mt[mti-1] ^ (mt[mti-1] >> 30)) + mti; /* See Knuth TAOCP Vol2. 3rd Ed. P.106 for multiplier. */ /* In the previous versions, MSBs of the seed affect */ /* only MSBs of the array mt[]. */ /* 2002/01/09 modified by Makoto Matsumoto */ mt[mti] &= 0xffffffffU; /* for >32 bit machines */ } } /* Initialize by an array with array-length. Init_key is the array for initializing keys. key_length is its length. */ void init_by_array(uint32_t init_key[], size_t key_length) { size_t i = 1, j = 0, k; mt_srandom(19650218U); k = (N > key_length ? N : key_length); for (; k; k--) { mt[i] = (mt[i] ^ ((mt[i-1] ^ (mt[i-1] >> 30)) * 1664525U)) + init_key[j] + (uint32_t)j; mt[i] &= 0xffffffffU; i++; j++; if (i >= N) { mt[0] = mt[N - 1]; i = 1; } if (j >= key_length) j = 0; } for (k = N - 1; k; k--) { mt[i] = (mt[i] ^ ((mt[i-1] ^ (mt[i-1] >> 30)) * 1566083941U)) - (uint32_t)i; mt[i] &= 0xffffffffU; i++; if (i >= N) { mt[0] = mt[N - 1]; i = 1; } } mt[0] = 0x80000000U; /* MSB is 1; ensuring non-zero initial array */ } // Generates a random number on [0, 0xffffffff]-interval uint32_t mt_random(void) { uint32_t y; static const uint32_t mag01[2] = { 0x0U, MATRIX_A }; /* mag01[x] = x * MATRIX_A for x=0,1 */ if (mti >= N) { /* generate N words at one time */ int kk; if (mti == N + 1) /* if mt_srandom() has not been called, */ mt_srandom(5489U); /* a default initial seed is used */ for (kk = 0; kk < N - M; kk++) { y = (mt[kk] & UPPER_MASK) | (mt[kk + 1] & LOWER_MASK); mt[kk] = mt[kk + M] ^ (y >> 1) ^ mag01[y & 0x1U]; } for (; kk < N - 1; kk++) { y = (mt[kk] & UPPER_MASK) | (mt[kk + 1] & LOWER_MASK); mt[kk] = mt[kk + (M - N)] ^ (y >> 1) ^ mag01[y & 0x1U]; } y = (mt[N - 1] & UPPER_MASK) | (mt[0] & LOWER_MASK); mt[N - 1] = mt[M - 1] ^ (y >> 1) ^ mag01[y & 0x1U]; mti = 0; } y = mt[mti++]; /* Tempering */ y ^= (y >> 11); y ^= (y << 7) & 0x9d2c5680U; y ^= (y << 15) & 0xefc60000U; y ^= (y >> 18); return y; } #undef N #undef M #undef MATRIX_A #undef UPPER_MASK #undef LOWER_MASK /* End of "Mersenne Twister". */ /* KISS From: http://www.helsbreth.org/random/rng_kiss.html Scott Nelson 1999 Based on Marsaglia's KISS or (KISS+SWB) KISS - Keep it Simple Stupid PRNG the idea is to use simple, fast, individually promising generators to get a composite that will be fast, easy to code have a very long period and pass all the tests put to it. The three components of KISS are x(n)=a*x(n-1)+1 mod 2^32 y(n)=y(n-1)(I+L^13)(I+R^17)(I+L^5), z(n)=2*z(n-1)+z(n-2) +carry mod 2^32 The y's are a shift register sequence on 32bit binary vectors period 2^32-1; The z's are a simple multiply-with-carry sequence with period 2^63+2^32-1. The period of KISS is thus 2^32*(2^32-1)*(2^63+2^32-1) > 2^127 In 2025 adapted for consistent 64-bit behavior across platforms. */ /* the KISS state is stored as a vector of 7 uint64_t */ /* 0 1 2 3 4 5 6 */ /* [ x, y, z, w, carry, k, m ] */ uint64_t *kiss_srandom(uint64_t state[7], uint64_t seed) { if (seed == 0) seed = 1ull; state[0] = seed | 1ull; // x state[1] = seed | 2ull; // y state[2] = seed | 4ull; // z state[3] = seed | 8ull; // w state[4] = 0ull; // carry state[5] = 0ull; // k state[6] = 0ull; // m return state; } uint64_t kiss_random(uint64_t state[7]) { // Linear congruential generator state[0] = state[0] * 69069ull + 1ull; // Xorshift state[1] ^= state[1] << 13ull; state[1] ^= state[1] >> 17ull; state[1] ^= state[1] << 5ull; // Multiply-with-carry state[5] = (state[2] >> 2ull) + (state[3] >> 3ull) + (state[4] >> 2ull); state[6] = state[3] + state[3] + state[2] + state[4]; state[2] = state[3]; state[3] = state[6]; state[4] = state[5] >> 62ull; // Top bit of carry (adjusted for 64-bit) return state[0] + state[1] + state[3]; } /* end of "KISS" rng */ /* FAST KISS in another implementation (Hundt) */ ////////////////////////////////////////////////////////////////////////////// // fast keep it simple stupid generator ////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////// // Thomas Mueller hash for initialization of rngs // http://stackoverflow.com/questions/664014/ // what-integer-hash-function-are-good-that-accepts-an-integer-hash-key ////////////////////////////////////////////////////////////////////////////// randstate_t _hash(randstate_t x) { x = ((x >> 16) ^ x) * (randstate_t)0x45d9f3b; x = ((x >> 16) ^ x) * (randstate_t)0x45d9f3b; x = ((x >> 16) ^ x); return x; } // SECTION: random number transforms ========================================== // generate a random number from normal law double _randnorm(randstate_t* state) { static double v1, v2, s; /* removing static breaks comparison with McStas <= 2.5 */ static int phase = 0; double X, u1, u2; if(phase == 0) { do { u1 = _rand01(state); u2 = _rand01(state); v1 = 2*u1 - 1; v2 = 2*u2 - 1; s = v1*v1 + v2*v2; } while(s >= 1 || s == 0); X = v1*sqrt(-2*log(s)/s); } else { X = v2*sqrt(-2*log(s)/s); } phase = 1 - phase; return X; } // another one double _randnorm2(randstate_t* state) { double x, y, r; do { x = 2.0 * _rand01(state) - 1.0; y = 2.0 * _rand01(state) - 1.0; r = x*x + y*y; } while (r == 0.0 || r >= 1.0); return x * sqrt((-2.0 * log(r)) / r); } // Generate a random number from -1 to 1 with triangle distribution double _randtriangle(randstate_t* state) { double randnum = _rand01(state); if (randnum>0.5) return(1-sqrt(2*(randnum-0.5))); else return(sqrt(2*randnum)-1); } double _rand01(randstate_t* state) { double randnum; randnum = (double) _random(); // TODO: can we mult instead of div? randnum /= (double) MC_RAND_MAX + 1; return randnum; } // Return a random number between 1 and -1 double _randpm1(randstate_t* state) { double randnum; randnum = (double) _random(); randnum /= ((double) MC_RAND_MAX + 1) / 2; randnum -= 1; return randnum; } // Return a random number between 0 and max. double _rand0max(double max, randstate_t* state) { double randnum; randnum = (double) _random(); randnum /= ((double) MC_RAND_MAX + 1) / max; return randnum; } // Return a random number between min and max. double _randminmax(double min, double max, randstate_t* state) { return _rand0max(max - min, state) + max; } /* SECTION: main and signal handlers ======================================== */ /******************************************************************************* * mchelp: displays instrument executable help with possible options *******************************************************************************/ static void mchelp(char *pgmname) { int i; fprintf(stderr, "%s (%s) instrument simulation, generated with " MCCODE_STRING " (" MCCODE_DATE ")\n", instrument_name, instrument_source); fprintf(stderr, "Usage: %s [options] [parm=value ...]\n", pgmname); fprintf(stderr, "Options are:\n" " -s SEED --seed=SEED Set random seed (must be != 0)\n" " -n COUNT --ncount=COUNT Set number of particles to simulate.\n" " -d DIR --dir=DIR Put all data files in directory DIR.\n" " -a --append Append data files to those in directory DIR.\n" " -t --trace Enable trace of " MCCODE_PARTICLE "s through instrument.\n" " (Use -t=2 or --trace=2 for modernised mcdisplay rendering)\n" " -g --gravitation Enable gravitation for all trajectories.\n" " --no-output-files Do not write any data files.\n" " -h --help Show this help message.\n" " -i --info Detailed instrument information.\n" " --list-parameters Print the instrument parameters to standard out\n" " -y --yes Assume default values for all parameters with a default\n" " --meta-list Print names of components which defined metadata\n" " --meta-defined COMP[:NAME] Print component defined metadata names, or (0,1) if NAME provided\n" " --meta-type COMP:NAME Print metadata format type specified in definition\n" " --meta-data COMP:NAME Print the metadata text\n" " --source Show the instrument code which was compiled.\n" #ifdef OPENACC "\n" " --vecsize OpenACC vector-size (default: 128)\n" " --numgangs Number of OpenACC gangs (default: 7813)\n" " --gpu_innerloop Maximum rays to process pr. OpenACC \n" " kernel run (default: 2147483647)\n" "\n" #endif "\n" " --bufsiz Monitor_nD list/buffer-size (default: 1000000)\n" " --format=FORMAT Output data files using FORMAT=" FLAVOR_UPPER #ifdef USE_NEXUS " NEXUS\n" " --IDF Embed an xml-formatted IDF instrument definition\n" " in the NeXus file (if existent in .)\n\n" #else "\n\n" #endif ); #ifdef USE_MPI fprintf(stderr, "This instrument has been compiled with MPI support.\n Use 'mpirun %s [options] [parm=value ...]'.\n", pgmname); #endif #ifdef OPENACC fprintf(stderr, "This instrument has been compiled with NVIDIA GPU support through OpenACC.\n Running on systems without such devices will lead to segfaults.\nFurter, fprintf, sprintf and printf have been removed from any component TRACE.\n"); #endif if(numipar > 0) { fprintf(stderr, "Instrument parameters are:\n"); for(i = 0; i < numipar; i++) if (mcinputtable[i].val && strlen(mcinputtable[i].val)) fprintf(stderr, " %-16s(%s) [default='%s']\n", mcinputtable[i].name, (*mcinputtypes[mcinputtable[i].type].parminfo)(mcinputtable[i].name), mcinputtable[i].val); else fprintf(stderr, " %-16s(%s)\n", mcinputtable[i].name, (*mcinputtypes[mcinputtable[i].type].parminfo)(mcinputtable[i].name)); } #ifndef NOSIGNALS fprintf(stderr, "Known signals are: " #ifdef SIGUSR1 "USR1 (status) " #endif #ifdef SIGUSR2 "USR2 (save) " #endif #ifdef SIGBREAK "BREAK (save) " #endif #ifdef SIGTERM "TERM (save and exit)" #endif "\n"); #endif /* !NOSIGNALS */ } /* mchelp */ /* mcshowhelp: show help and exit with 0 */ static void mcshowhelp(char *pgmname) { mchelp(pgmname); exit(0); } /* mcusage: display usage when error in input arguments and exit with 1 */ static void mcusage(char *pgmname) { fprintf(stderr, "Error: incorrect command line arguments\n"); mchelp(pgmname); exit(1); } /* mcenabletrace: enable trace/mcdisplay or error if requires recompile */ static void mcenabletrace(int mode) { if(traceenabled) { mcdotrace = mode; #pragma acc update device ( mcdotrace ) } else { if (mode>0) { fprintf(stderr, "Error: trace not enabled (mcenabletrace)\n" "Please re-run the " MCCODE_NAME " compiler " "with the --trace option, or rerun the\n" "C compiler with the MC_TRACE_ENABLED macro defined.\n"); exit(1); } } } /******************************************************************************* * mcreadparams: request parameters from the prompt (or use default) *******************************************************************************/ void mcreadparams(void) { int i,j,status; static char buf[CHAR_BUF_LENGTH]; char *p; int len; MPI_MASTER(printf("Instrument parameters for %s (%s)\n", instrument_name, instrument_source)); for(i = 0; mcinputtable[i].name != 0; i++) { do { MPI_MASTER( if (mcinputtable[i].val && strlen(mcinputtable[i].val)) printf("Set value of instrument parameter %s (%s) [default='%s']:\n", mcinputtable[i].name, (*mcinputtypes[mcinputtable[i].type].parminfo) (mcinputtable[i].name), mcinputtable[i].val); else printf("Set value of instrument parameter %s (%s):\n", mcinputtable[i].name, (*mcinputtypes[mcinputtable[i].type].parminfo) (mcinputtable[i].name)); fflush(stdout); ); #ifdef USE_MPI if(mpi_node_rank == mpi_node_root) { p = fgets(buf, CHAR_BUF_LENGTH, stdin); if(p == NULL) { fprintf(stderr, "Error: empty input for paramater %s (mcreadparams)\n", mcinputtable[i].name); exit(1); } } else p = buf; MPI_Bcast(buf, CHAR_BUF_LENGTH, MPI_CHAR, mpi_node_root, MPI_COMM_WORLD); #else /* !USE_MPI */ p = fgets(buf, CHAR_BUF_LENGTH, stdin); if(p == NULL) { fprintf(stderr, "Error: empty input for paramater %s (mcreadparams)\n", mcinputtable[i].name); exit(1); } #endif /* USE_MPI */ len = strlen(buf); if (!len || (len == 1 && (buf[0] == '\n' || buf[0] == '\r'))) { if (mcinputtable[i].val && strlen(mcinputtable[i].val)) { strncpy(buf, mcinputtable[i].val, CHAR_BUF_LENGTH); /* use default value */ len = strlen(buf); } } for(j = 0; j < 2; j++) { if(len > 0 && (buf[len - 1] == '\n' || buf[len - 1] == '\r')) { len--; buf[len] = '\0'; } } status = (*mcinputtypes[mcinputtable[i].type].getparm) (buf, mcinputtable[i].par); if(!status) { (*mcinputtypes[mcinputtable[i].type].error)(mcinputtable[i].name, buf); if (!mcinputtable[i].val || strlen(mcinputtable[i].val)) { fprintf(stderr, " Change %s default value in instrument definition.\n", mcinputtable[i].name); exit(1); } } } while(!status); } } /* mcreadparams */ /******************************************************************************* * mcparseoptions: parse command line arguments (options, parameters) *******************************************************************************/ void mcparseoptions(int argc, char *argv[]) { int i, j; char *p; int paramset = 0, *paramsetarray; char *usedir=NULL; /* Add one to numipar to avoid allocating zero size memory block. */ paramsetarray = (int*)malloc((numipar + 1)*sizeof(*paramsetarray)); if(paramsetarray == NULL) { fprintf(stderr, "Error: insufficient memory (mcparseoptions)\n"); exit(1); } for(j = 0; j < numipar; j++) { paramsetarray[j] = 0; if (mcinputtable[j].val != NULL && strlen(mcinputtable[j].val)) { int status; char buf[CHAR_BUF_LENGTH]; strncpy(buf, mcinputtable[j].val, CHAR_BUF_LENGTH); status = (*mcinputtypes[mcinputtable[j].type].getparm) (buf, mcinputtable[j].par); if(!status) fprintf(stderr, "Invalid '%s' default value %s in instrument definition (mcparseoptions)\n", mcinputtable[j].name, buf); else paramsetarray[j] = 1; } else { (*mcinputtypes[mcinputtable[j].type].getparm) (NULL, mcinputtable[j].par); paramsetarray[j] = 0; } } for(i = 1; i < argc; i++) { if(!strcmp("-s", argv[i]) && (i + 1) < argc) mcsetseed(argv[++i]); else if(!strncmp("-s", argv[i], 2)) mcsetseed(&argv[i][2]); else if(!strcmp("--seed", argv[i]) && (i + 1) < argc) mcsetseed(argv[++i]); else if(!strncmp("--seed=", argv[i], 7)) mcsetseed(&argv[i][7]); else if(!strcmp("-n", argv[i]) && (i + 1) < argc) mcsetn_arg(argv[++i]); else if(!strncmp("-n", argv[i], 2)) mcsetn_arg(&argv[i][2]); else if(!strcmp("--ncount", argv[i]) && (i + 1) < argc) mcsetn_arg(argv[++i]); else if(!strncmp("--ncount=", argv[i], 9)) mcsetn_arg(&argv[i][9]); else if(!strcmp("-d", argv[i]) && (i + 1) < argc) usedir=argv[++i]; /* will create directory after parsing all arguments (end of this function) */ else if(!strncmp("-d", argv[i], 2)) usedir=&argv[i][2]; else if(!strcmp("--dir", argv[i]) && (i + 1) < argc) usedir=argv[++i]; else if(!strncmp("-a", argv[i], 2)) mcappend = 1; else if(!strcmp("--append", argv[i])) mcappend = 1; else if(!strncmp("--dir=", argv[i], 6)) usedir=&argv[i][6]; else if(!strcmp("-h", argv[i])) mcshowhelp(argv[0]); else if(!strcmp("--help", argv[i]) || !strcmp("--version", argv[i])) mcshowhelp(argv[0]); else if(!strcmp("-i", argv[i])) { mcformat=FLAVOR_UPPER; mcinfo(); } else if(!strcmp("--info", argv[i])) mcinfo(); else if (!strcmp("--list-parameters", argv[i])) mcparameterinfo(); else if (!strcmp("--meta-list", argv[i]) && ((i+1) >= argc || argv[i+1][0] == '-')){ //printf("Components with metadata defined:\n"); exit(metadata_table_print_all_components(num_metadata, metadata_table) == 0); } else if (!strcmp("--meta-defined", argv[i]) && (i+1) < argc){ exit(metadata_table_print_component_keys(num_metadata, metadata_table, argv[i+1]) == 0); } else if (!strcmp("--meta-type", argv[i]) && (i+1) < argc){ char * literal_type = metadata_table_type(num_metadata, metadata_table, argv[i+1]); if (literal_type == NULL) exit(1); printf("%s\n", literal_type); exit(0); } else if (!strcmp("--meta-data", argv[i]) && (i+1) < argc){ char * literal = metadata_table_literal(num_metadata, metadata_table, argv[i+1]); if (literal == NULL) exit(1); printf("%s\n", literal); exit(0); } else if(!strncmp("--trace=", argv[i], 8)) { mcenabletrace(atoi(&argv[i][8])); } else if(!strncmp("-t=", argv[i], 3) || !strcmp("--verbose", argv[i])) { mcenabletrace(atoi(&argv[i][3])); } else if(!strcmp("-t", argv[i])) mcenabletrace(1); else if(!strcmp("--trace", argv[i]) || !strcmp("--verbose", argv[i])) mcenabletrace(1); else if(!strcmp("--gravitation", argv[i])) mcgravitation = 1; else if(!strcmp("-g", argv[i])) mcgravitation = 1; else if(!strcmp("--yes", argv[i])) mcusedefaults = 1; else if(!strcmp("-y", argv[i])) mcusedefaults = 1; else if(!strncmp("--format=", argv[i], 9)) { mcformat=&argv[i][9]; } else if(!strcmp("--format", argv[i]) && (i + 1) < argc) { mcformat=argv[++i]; } #ifdef USE_NEXUS else if(!strcmp("--IDF", argv[i])) { mcnexus_embed_idf = 1; } #endif else if(!strncmp("--vecsize=", argv[i], 10)) { vecsize=atoi(&argv[i][10]); } else if(!strcmp("--vecsize", argv[i]) && (i + 1) < argc) { vecsize=atoi(argv[++i]); } else if(!strncmp("--bufsiz=", argv[i], 9)) { MONND_BUFSIZ=atoi(&argv[i][9]); } else if(!strcmp("--bufsiz", argv[i]) && (i + 1) < argc) { MONND_BUFSIZ=atoi(argv[++i]); } else if(!strncmp("--numgangs=", argv[i], 11)) { numgangs=atoi(&argv[i][11]); } else if(!strcmp("--numgangs", argv[i]) && (i + 1) < argc) { numgangs=atoi(argv[++i]); } else if(!strncmp("--gpu_innerloop=", argv[i], 16)) { gpu_innerloop=(long)strtod(&argv[i][16], NULL); } else if(!strcmp("--gpu_innerloop", argv[i]) && (i + 1) < argc) { gpu_innerloop=(long)strtod(argv[++i], NULL); } else if(!strcmp("--no-output-files", argv[i])) mcdisable_output_files = 1; else if(!strcmp("--source", argv[i])) { printf("/* Source code %s from %s: */\n" "/******************************************************************************/\n" "%s\n" "/******************************************************************************/\n" "/* End of source code %s from %s */\n", instrument_name, instrument_source, instrument_code, instrument_name, instrument_source); exit(1); } else if(argv[i][0] != '-' && (p = strchr(argv[i], '=')) != NULL) { *p++ = '\0'; for(j = 0; j < numipar; j++) if(!strcmp(mcinputtable[j].name, argv[i])) { int status; status = (*mcinputtypes[mcinputtable[j].type].getparm)(p, mcinputtable[j].par); if(!status || !strlen(p)) { (*mcinputtypes[mcinputtable[j].type].error) (mcinputtable[j].name, p); exit(1); } paramsetarray[j] = 1; paramset = 1; break; } if(j == numipar) { /* Unrecognized parameter name */ fprintf(stderr, "Error: unrecognized parameter %s (mcparseoptions)\n", argv[i]); exit(1); } } else if(argv[i][0] == '-') { fprintf(stderr, "Error: unrecognized option argument %s (mcparseoptions). Ignored.\n", argv[i++]); } else { fprintf(stderr, "Error: unrecognized argument %s (mcparseoptions). Aborting.\n", argv[i]); mcusage(argv[0]); } } if (mcusedefaults) { MPI_MASTER( printf("Using all default parameter values\n"); ); for(j = 0; j < numipar; j++) { int status; if(mcinputtable[j].val && strlen(mcinputtable[j].val)){ status = (*mcinputtypes[mcinputtable[j].type].getparm)(mcinputtable[j].val, mcinputtable[j].par); paramsetarray[j] = 1; paramset = 1; } } } if(!paramset) mcreadparams(); /* Prompt for parameters if not specified. */ else { for(j = 0; j < numipar; j++) if(!paramsetarray[j]) { fprintf(stderr, "Error: Instrument parameter %s left unset (mcparseoptions)\n", mcinputtable[j].name); exit(1); } } free(paramsetarray); #ifdef USE_MPI if (mcdotrace) mpi_node_count=1; /* disable threading when in trace mode */ #endif if (usedir && strlen(usedir) && !mcdisable_output_files) mcuse_dir(usedir); } /* mcparseoptions */ #ifndef NOSIGNALS /******************************************************************************* * sighandler: signal handler that makes simulation stop, and save results *******************************************************************************/ void sighandler(int sig) { /* MOD: E. Farhi, Sep 20th 2001: give more info */ time_t t1, t0; #define SIG_SAVE 0 #define SIG_TERM 1 #define SIG_STAT 2 #define SIG_ABRT 3 printf("\n# " MCCODE_STRING ": [pid %i] Signal %i detected", getpid(), sig); #ifdef USE_MPI printf(" [proc %i]", mpi_node_rank); #endif #if defined(SIGUSR1) && defined(SIGUSR2) && defined(SIGKILL) if (!strcmp(mcsig_message, "sighandler") && (sig != SIGUSR1) && (sig != SIGUSR2)) { printf("\n# Fatal : unrecoverable loop ! Suicide (naughty boy).\n"); kill(0, SIGKILL); /* kill myself if error occurs within sighandler: loops */ } #endif switch (sig) { #ifdef SIGINT case SIGINT : printf(" SIGINT (interrupt from terminal, Ctrl-C)"); sig = SIG_TERM; break; #endif #ifdef SIGILL case SIGILL : printf(" SIGILL (Illegal instruction)"); sig = SIG_ABRT; break; #endif #ifdef SIGFPE case SIGFPE : printf(" SIGFPE (Math Error)"); sig = SIG_ABRT; break; #endif #ifdef SIGSEGV case SIGSEGV : printf(" SIGSEGV (Mem Error)"); sig = SIG_ABRT; break; #endif #ifdef SIGTERM case SIGTERM : printf(" SIGTERM (Termination)"); sig = SIG_TERM; break; #endif #ifdef SIGABRT case SIGABRT : printf(" SIGABRT (Abort)"); sig = SIG_ABRT; break; #endif #ifdef SIGQUIT case SIGQUIT : printf(" SIGQUIT (Quit from terminal)"); sig = SIG_TERM; break; #endif #ifdef SIGTRAP case SIGTRAP : printf(" SIGTRAP (Trace trap)"); sig = SIG_ABRT; break; #endif #ifdef SIGPIPE case SIGPIPE : printf(" SIGPIPE (Broken pipe)"); sig = SIG_ABRT; break; #endif #ifdef SIGUSR1 case SIGUSR1 : printf(" SIGUSR1 (Display info)"); sig = SIG_STAT; break; #endif #ifdef SIGUSR2 case SIGUSR2 : printf(" SIGUSR2 (Save simulation)"); sig = SIG_SAVE; break; #endif #ifdef SIGHUP case SIGHUP : printf(" SIGHUP (Hangup/update)"); sig = SIG_SAVE; break; #endif #ifdef SIGBUS case SIGBUS : printf(" SIGBUS (Bus error)"); sig = SIG_ABRT; break; #endif #ifdef SIGURG case SIGURG : printf(" SIGURG (Urgent socket condition)"); sig = SIG_ABRT; break; #endif #ifdef SIGBREAK case SIGBREAK: printf(" SIGBREAK (Break signal, Ctrl-Break)"); sig = SIG_SAVE; break; #endif default : printf(" (look at signal list for signification)"); sig = SIG_ABRT; break; } printf("\n"); printf("# Simulation: %s (%s) \n", instrument_name, instrument_source); printf("# Breakpoint: %s ", mcsig_message); if (strstr(mcsig_message, "Save") && (sig == SIG_SAVE)) sig = SIG_STAT; SIG_MESSAGE("sighandler"); if (mcget_ncount() == 0) printf("(0 %%)\n" ); else { printf("%.2f %% (%10.1f/%10.1f)\n", 100.0*mcget_run_num()/mcget_ncount(), 1.0*mcget_run_num(), 1.0*mcget_ncount()); } t0 = (time_t)mcstartdate; t1 = time(NULL); printf("# Date: %s", ctime(&t1)); printf("# Started: %s", ctime(&t0)); if (sig == SIG_STAT) { printf("# " MCCODE_STRING ": Resuming simulation (continue)\n"); fflush(stdout); return; } else if (sig == SIG_SAVE) { printf("# " MCCODE_STRING ": Saving data and resume simulation (continue)\n"); save(NULL); fflush(stdout); return; } else if (sig == SIG_TERM) { printf("# " MCCODE_STRING ": Finishing simulation (save results and exit)\n"); finally(); exit(0); } else { fflush(stdout); perror("# Last I/O Error"); printf("# " MCCODE_STRING ": Simulation stop (abort).\n"); // This portion of the signal handling only works on UNIX #if defined(__unix__) || defined(__APPLE__) signal(sig, SIG_DFL); /* force to use default sighandler now */ kill(getpid(), sig); /* and trigger it with the current signal */ #endif exit(-1); } #undef SIG_SAVE #undef SIG_TERM #undef SIG_STAT #undef SIG_ABRT } /* sighandler */ #endif /* !NOSIGNALS */ #ifdef NEUTRONICS /*Main neutronics function steers the McStas calls, initializes parameters etc */ /* Only called in case NEUTRONICS = TRUE */ void neutronics_main_(float *inx, float *iny, float *inz, float *invx, float *invy, float *invz, float *intime, float *insx, float *insy, float *insz, float *inw, float *outx, float *outy, float *outz, float *outvx, float *outvy, float *outvz, float *outtime, float *outsx, float *outsy, float *outsz, float *outwgt) { extern double mcnx, mcny, mcnz, mcnvx, mcnvy, mcnvz; extern double mcnt, mcnsx, mcnsy, mcnsz, mcnp; /* External code governs iteration - McStas is iterated once per call to neutronics_main. I.e. below counter must be initiancated for each call to neutronics_main*/ mcrun_num=0; time_t t; t = (time_t)mcstartdate; mcstartdate = t; /* set start date before parsing options and creating sim file */ init(); /* *** parse options *** */ SIG_MESSAGE("[" __FILE__ "] main START"); mcformat=getenv(FLAVOR_UPPER "_FORMAT") ? getenv(FLAVOR_UPPER "_FORMAT") : FLAVOR_UPPER; /* Set neutron state based on input from neutronics code */ mcsetstate(*inx,*iny,*inz,*invx,*invy,*invz,*intime,*insx,*insy,*insz,*inw); /* main neutron event loop - runs only one iteration */ //mcstas_raytrace(&mcncount); /* prior to McStas 1.12 */ mcallowbackprop = 1; //avoid absorbtion from negative dt int argc=1; char *argv[0]; int dummy = mccode_main(argc, argv); *outx = mcnx; *outy = mcny; *outz = mcnz; *outvx = mcnvx; *outvy = mcnvy; *outvz = mcnvz; *outtime = mcnt; *outsx = mcnsx; *outsy = mcnsy; *outsz = mcnsz; *outwgt = mcnp; return; } /* neutronics_main */ #endif /*NEUTRONICS*/ #endif /* !MCCODE_H */ /* End of file "mccode-r.c". */ /* End of file "mccode-r.c". */ /* embedding file "mcstas-r.c" */ /******************************************************************************* * * McStas, neutron ray-tracing package * Copyright (C) 1997-2009, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Runtime: share/mcstas-r.c * * %Identification * Written by: KN * Date: Aug 29, 1997 * Release: McStas X.Y * Version: $Revision$ * * Runtime system for McStas. * Embedded within instrument in runtime mode. * * Usage: Automatically embbeded in the c code whenever required. * * $Id$ * *******************************************************************************/ #ifndef MCSTAS_R_H #include "mcstas-r.h" #endif #ifdef DANSE #include "mcstas-globals.h" #endif /******************************************************************************* * The I/O format definitions and functions *******************************************************************************/ /*the magnet stack*/ #ifdef MC_POL_COMPAT void (*mcMagnetPrecession) (double, double, double, double, double, double, double, double*, double*, double*, double, Coords, Rotation)=NULL; Coords mcMagnetPos; Rotation mcMagnetRot; double* mcMagnetData = NULL; /* mcMagneticField(x, y, z, t, Bx, By, Bz) */ int (*mcMagneticField) (double, double, double, double, double*, double*, double*, void *) = NULL; #endif #ifndef MCSTAS_H /******************************************************************************* * mcsetstate: transfer parameters into global McStas variables *******************************************************************************/ _class_particle mcsetstate(double x, double y, double z, double vx, double vy, double vz, double t, double sx, double sy, double sz, double p, int mcgravitation, void *mcMagnet, int mcallowbackprop) { _class_particle mcneutron; mcneutron.x = x; mcneutron.y = y; mcneutron.z = z; mcneutron.vx = vx; mcneutron.vy = vy; mcneutron.vz = vz; mcneutron.t = t; mcneutron.sx = sx; mcneutron.sy = sy; mcneutron.sz = sz; mcneutron.p = p; mcneutron.mcgravitation = mcgravitation; mcneutron.mcMagnet = mcMagnet; mcneutron.allow_backprop = mcallowbackprop; mcneutron._uid = 0; mcneutron._index = 1; mcneutron._absorbed = 0; mcneutron._restore = 0; mcneutron._scattered = 0; mcneutron.flag_nocoordschange = 0; /* init tmp-vars - FIXME are they used? */ mcneutron._mctmp_a = mcneutron._mctmp_b = mcneutron._mctmp_c = 0; // what about mcneutron._logic ? mcneutron._logic.dummy=1; // init uservars via cogen'd-function particle_uservar_init(&mcneutron); return(mcneutron); } /* mcsetstate */ /******************************************************************************* * mcgetstate: get neutron parameters from particle structure *******************************************************************************/ _class_particle mcgetstate(_class_particle mcneutron, double *x, double *y, double *z, double *vx, double *vy, double *vz, double *t, double *sx, double *sy, double *sz, double *p) { *x = mcneutron.x; *y = mcneutron.y; *z = mcneutron.z; *vx = mcneutron.vx; *vy = mcneutron.vy; *vz = mcneutron.vz; *t = mcneutron.t; *sx = mcneutron.sx; *sy = mcneutron.sy; *sz = mcneutron.sz; *p = mcneutron.p; return(mcneutron); } /* mcgetstate */ /******************************************************************************* * mcgenstate: set default neutron parameters *******************************************************************************/ // Moved to generated code /* #pragma acc routine seq */ /* _class_particle mcgenstate(void) */ /* { */ /* return(mcsetstate(0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, mcgravitation, mcMagnet, mcallowbackprop)); */ /* } */ /******************************************************************************* * mccoordschanges: old style rotation routine rot -> (x y z) ,(vx vy vz),(sx,sy,sz) *******************************************************************************/ void mccoordschanges(Coords a, Rotation t, double *x, double *y, double *z, double *vx, double *vy, double *vz, double *sx, double *sy, double *sz) { Coords b, c; b.x = *x; b.y = *y; b.z = *z; c = rot_apply(t, b); b = coords_add(c, a); *x = b.x; *y = b.y; *z = b.z; if ( (vz && vy && vx) && (*vz != 0.0 || *vx != 0.0 || *vy != 0.0) ) mccoordschange_polarisation(t, vx, vy, vz); if ( (sz && sy && sx) && (*sz != 0.0 || *sx != 0.0 || *sy != 0.0) ) mccoordschange_polarisation(t, sx, sy, sz); } /* intersection routines ==================================================== */ /******************************************************************************* * inside_rectangle: Check if (x,y) is inside rectangle (xwidth, yheight) * return 0 if outside and 1 if inside *******************************************************************************/ int inside_rectangle(double x, double y, double xwidth, double yheight) { if (x>-xwidth/2 && x-yheight/2 && y -dy/2 && y_in < dy/2 && z_in > -dz/2 && z_in < dz/2) t[0] = tt; else t[0] = 0; tt = (dx/2 - x)/vx; y_in = y + tt*vy; z_in = z + tt*vz; if( y_in > -dy/2 && y_in < dy/2 && z_in > -dz/2 && z_in < dz/2) t[1] = tt; else t[1] = 0; } else t[0] = t[1] = 0; if(vy != 0) { tt = -(dy/2 + y)/vy; x_in = x + tt*vx; z_in = z + tt*vz; if( x_in > -dx/2 && x_in < dx/2 && z_in > -dz/2 && z_in < dz/2) t[2] = tt; else t[2] = 0; tt = (dy/2 - y)/vy; x_in = x + tt*vx; z_in = z + tt*vz; if( x_in > -dx/2 && x_in < dx/2 && z_in > -dz/2 && z_in < dz/2) t[3] = tt; else t[3] = 0; } else t[2] = t[3] = 0; if(vz != 0) { tt = -(dz/2 + z)/vz; x_in = x + tt*vx; y_in = y + tt*vy; if( x_in > -dx/2 && x_in < dx/2 && y_in > -dy/2 && y_in < dy/2) t[4] = tt; else t[4] = 0; tt = (dz/2 - z)/vz; x_in = x + tt*vx; y_in = y + tt*vy; if( x_in > -dx/2 && x_in < dx/2 && y_in > -dy/2 && y_in < dy/2) t[5] = tt; else t[5] = 0; } else t[4] = t[5] = 0; /* The intersection is evaluated and *dt_in and *dt_out are assigned */ a = b = s = 0; count = 0; for( i = 0; i < 6; i = i + 1 ) if( t[i] == 0 ) s = s+1; else if( count == 0 ) { a = t[i]; count = 1; } else { b = t[i]; count = 2; } if ( a == 0 && b == 0 ) return 0; else if( a < b ) { *dt_in = a; *dt_out = b; return 1; } else { *dt_in = b; *dt_out = a; return 1; } } /* box_intersect */ /******************************************************************************* * cylinder_intersect: compute intersection with a cylinder * returns 0 when no intersection is found * or 2/4/8/16 bits depending on intersection, * and resulting times t0 and t1 * Written by: EM,NB,ABA 4.2.98 *******************************************************************************/ int cylinder_intersect(double *t0, double *t1, double x, double y, double z, double vx, double vy, double vz, double r, double h) { double D, t_in, t_out, y_in, y_out; int ret=1; D = (2*vx*x + 2*vz*z)*(2*vx*x + 2*vz*z) - 4*(vx*vx + vz*vz)*(x*x + z*z - r*r); if (D>=0) { if (vz*vz + vx*vx) { t_in = (-(2*vz*z + 2*vx*x) - sqrt(D))/(2*(vz*vz + vx*vx)); t_out = (-(2*vz*z + 2*vx*x) + sqrt(D))/(2*(vz*vz + vx*vx)); } else if (vy) { /* trajectory parallel to cylinder axis */ t_in = (-h/2-y)/vy; t_out = (h/2-y)/vy; if (t_in>t_out){ double tmp=t_in; t_in=t_out;t_out=tmp; } } else return 0; y_in = vy*t_in + y; y_out =vy*t_out + y; if ( (y_in > h/2 && y_out > h/2) || (y_in < -h/2 && y_out < -h/2) ) return 0; else { if (y_in > h/2) { t_in = ((h/2)-y)/vy; ret += 2; } else if (y_in < -h/2) { t_in = ((-h/2)-y)/vy; ret += 4; } if (y_out > h/2) { t_out = ((h/2)-y)/vy; ret += 8; } else if (y_out < -h/2) { t_out = ((-h/2)-y)/vy; ret += 16; } } *t0 = t_in; *t1 = t_out; return ret; } else { *t0 = *t1 = 0; return 0; } } /* cylinder_intersect */ /******************************************************************************* * sphere_intersect: Calculate intersection between a line and a sphere. * returns 0 when no intersection is found * or 1 in case of intersection with resulting times t0 and t1 *******************************************************************************/ int sphere_intersect(double *t0, double *t1, double x, double y, double z, double vx, double vy, double vz, double r) { double A, B, C, D, v; v = sqrt(vx*vx + vy*vy + vz*vz); A = v*v; B = 2*(x*vx + y*vy + z*vz); C = x*x + y*y + z*z - r*r; D = B*B - 4*A*C; if(D < 0) return 0; D = sqrt(D); *t0 = (-B - D) / (2*A); *t1 = (-B + D) / (2*A); return 1; } /* sphere_intersect */ /******************************************************************************* * plane_intersect: Calculate intersection between a plane and a line. * returns 0 when no intersection is found (i.e. line is parallel to the plane) * returns 1 or -1 when intersection time is positive and negative respectively *******************************************************************************/ int plane_intersect(double *t, double x, double y, double z, double vx, double vy, double vz, double nx, double ny, double nz, double wx, double wy, double wz) { double s; if (fabs(s=scalar_prod(nx,ny,nz,vx,vy,vz))name[0] = '\0'; sps->probability_for_scattering_function = NULL; sps->scattering_function = NULL; sps->non_isotropic_rot_index = -1; sps->needs_cross_section_focus = -1; } union surface_data_transfer_union { struct Mirror_surface_storage_struct *pointer_to_a_Mirror_surface_storage_struct; struct Template_surface_storage_struct *pointer_to_a_Template_surface_storage_struct; }; struct surface_process_struct { char name[256]; enum surface eSurface; union surface_data_transfer_union data_transfer; }; struct surface_stack_struct { int number_of_surfaces; struct surface_process_struct **p_surface_array; }; struct Volume_struct { char name[256]; // User defined volume name struct geometry_struct geometry; // Geometry properties (including intersect functions, generated lists) struct physics_struct *p_physics; // Physical properties (list of scattering processes, absorption) struct loggers_struct loggers; // Loggers assosiated with this volume struct abs_loggers_struct abs_loggers; // Loggers assosiated with this volume }; // example of calling a scattering process // volume_pointer_list[3]->physics.scattering_process[5].probability_for_scattering_function(input,volume_pointer_list[3]->physics.scattering_process[5]) struct starting_lists_struct { struct pointer_to_1d_int_list allowed_starting_volume_logic_list; struct pointer_to_1d_int_list reduced_start_list; struct pointer_to_1d_int_list start_logic_list; struct pointer_to_1d_int_list starting_destinations_list; }; struct global_positions_to_transform_list_struct { int num_elements; Coords **positions; }; struct global_rotations_to_transform_list_struct { int num_elements; Rotation **rotations; }; struct global_surface_element_struct { char name[256]; // Name of the process int component_index; struct surface_process_struct *p_surface_process; }; struct pointer_to_global_surface_list { int num_elements; struct global_surface_element_struct *elements; }; struct global_process_element_struct { char name[256]; // Name of the process int component_index; struct scattering_process_struct *p_scattering_process; }; struct pointer_to_global_process_list { int num_elements; struct global_process_element_struct *elements; }; struct global_material_element_struct { char name[128]; int component_index; struct physics_struct *physics; }; struct pointer_to_global_material_list { int num_elements; struct global_material_element_struct *elements; }; struct global_geometry_element_struct { char name[128]; int component_index; int activation_counter; int stored_copies; int active; struct Volume_struct *Volume; }; struct pointer_to_global_geometry_list { int num_elements; struct global_geometry_element_struct *elements; }; struct global_logger_element_struct { char name[128]; int component_index; struct logger_struct *logger; }; struct pointer_to_global_logger_list { int num_elements; struct global_logger_element_struct *elements; }; struct global_abs_logger_element_struct { char name[128]; int component_index; struct abs_logger_struct *abs_logger; }; struct pointer_to_global_abs_logger_list { int num_elements; struct global_abs_logger_element_struct *elements; }; struct global_tagging_conditional_element_struct { struct conditional_list_struct conditional_list; int extend_index; char name[1024]; int use_status; }; struct global_tagging_conditional_list_struct { int num_elements; int current_index; struct global_tagging_conditional_element_struct *elements; }; struct global_master_element_struct { char name[128]; int component_index; int stored_number_of_scattering_events; // TEST struct conditional_list_struct *tagging_conditional_list_pointer; }; struct pointer_to_global_master_list { int num_elements; struct global_master_element_struct *elements; }; void geometry_struct_init(struct geometry_struct *geometry){ memset(geometry, 0, sizeof(struct geometry_struct)); geometry->skip_hierarchy_optimization = 0; } // ------------- Physics functions --------------------------------------------------------- //#include "Test_physics.c" //#include "Incoherent_test.c" // ------------- General functions --------------------------------------------------------- double distance_between(Coords position1,Coords position2) { return sqrt((position1.x-position2.x)*(position1.x-position2.x) + (position1.y-position2.y)*(position1.y-position2.y) + (position1.z-position2.z)*(position1.z-position2.z)); }; double length_of_3vector(double *r) { return sqrt(r[0]*r[0]+r[1]*r[1]+r[2]*r[2]); }; double length_of_position_vector(Coords point) { return sqrt(point.x*point.x+point.y*point.y+point.z*point.z); }; Coords make_position(double *r) { Coords temp; temp.x = r[0];temp.y = r[1];temp.z = r[2]; return temp; }; Coords coords_scalar_mult(Coords input,double scalar) { return coords_set(scalar*input.x,scalar*input.y,scalar*input.z); }; double union_coords_dot(Coords vector1,Coords vector2) { return vector1.x*vector2.x + vector1.y*vector2.y + vector1.z*vector2.z; } int sum_int_list(struct pointer_to_1d_int_list list) { int iterate,sum = 0; for (iterate = 0;iterate < list.num_elements;iterate++) sum += list.elements[iterate]; return sum; }; int on_int_list(struct pointer_to_1d_int_list list,int target) { int iterate,output=0; for (iterate = 0; iteratenum_elements;iterate++) { if (on_int_list(*list2,list1->elements[iterate])) common->elements[used_elements++] = list1->elements[iterate]; } common->num_elements = used_elements; }; void remove_element_in_list_by_index(struct pointer_to_1d_int_list *list,int index) { if (index >= list->num_elements) { printf("ERROR(remove_element_in_list_by_index): trying to remove an index that wasn't allocated to begin with"); exit(EXIT_FAILURE); } else { int iterate; int *temp; for (iterate = index;iterate < list->num_elements -1;iterate++) { list->elements[iterate] = list->elements[iterate+1]; } list->num_elements--; //if (list->num_elements==0) printf("Making empty list!\n"); temp = malloc(list->num_elements * sizeof(int)); if (!temp) { fprintf(stderr,"Failure allocating list in Union function remove_element_in_list_by_index 1/2 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate = 0;iterate < list->num_elements;iterate++) temp[iterate] = list->elements[iterate]; free(list->elements); list->elements = malloc(list->num_elements * sizeof(int)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function remove_element_in_list_by_index 2/2 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate = 0;iterate < list->num_elements;iterate++) list->elements[iterate] = temp[iterate]; free(temp); } }; void remove_element_in_list_by_value(struct pointer_to_1d_int_list *list,int value) { int iterate; for (iterate = 0;iterate < list->num_elements;iterate++) { if (list->elements[iterate] == value) remove_element_in_list_by_index(list,iterate); } }; void merge_lists(struct pointer_to_1d_int_list *result,struct pointer_to_1d_int_list *list1,struct pointer_to_1d_int_list *list2) { if (result->num_elements > 0) free(result->elements); result->num_elements = list1->num_elements + list2->num_elements; if (result->num_elements != 0) { result->elements = malloc(result->num_elements*sizeof(int)); if (!result->elements) { fprintf(stderr,"Failure allocating list in Union function merge_lists- Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate = 0;iterate < list1->num_elements;iterate++) result->elements[iterate] = list1->elements[iterate]; for (iterate = 0;iterate < list2->num_elements;iterate++) result->elements[list1->num_elements+iterate] = list2->elements[iterate]; } }; void add_element_to_double_list(struct pointer_to_1d_double_list *list,double value) { if (list->num_elements == 0) { list->num_elements++; list-> elements = malloc(list->num_elements*sizeof(double)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_double_list 1/3 - Exit!\n"); exit(EXIT_FAILURE); } list-> elements[0] = value; } else { double *temp=malloc(list->num_elements*sizeof(double)); if (!temp) { fprintf(stderr,"Failure allocating list in Union function add_element_to_double_list 2/3 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iteratenum_elements;iterate++) temp[iterate] = list->elements[iterate]; free(list->elements); list->num_elements++; list-> elements = malloc(list->num_elements*sizeof(double)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_double_list 3/3 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements-1;iterate++) list->elements[iterate] = temp[iterate]; free(temp); list->elements[list->num_elements-1] = value; } }; void add_element_to_int_list(struct pointer_to_1d_int_list *list,int value) { if (list->num_elements == 0) { list->num_elements++; list-> elements = malloc(list->num_elements*sizeof(int)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_int_list 1/3 - Exit!\n"); exit(EXIT_FAILURE); } list-> elements[0] = value; } else { double *temp=malloc(list->num_elements*sizeof(double)); if (!temp) { fprintf(stderr,"Failure allocating list in Union function add_element_to_int_list 2/3 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iteratenum_elements;iterate++) temp[iterate] = list->elements[iterate]; free(list->elements); list->num_elements++; list-> elements = malloc(list->num_elements*sizeof(int)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_int_list 3/3 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements-1;iterate++) list->elements[iterate] = temp[iterate]; free(temp); list->elements[list->num_elements-1] = value; } }; // Need to check if absolute_rotation is preserved correctly. void add_element_to_focus_data_array(struct focus_data_array_struct *focus_data_array,struct focus_data_struct focus_data) { if (focus_data_array->num_elements == 0) { focus_data_array->num_elements++; focus_data_array->elements = malloc(focus_data_array->num_elements*sizeof(struct focus_data_struct)); if (!focus_data_array->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_focus_data_array 1/3- Exit!\n"); exit(EXIT_FAILURE); } focus_data_array->elements[0] = focus_data; } else { struct focus_data_struct *temp=malloc(focus_data_array->num_elements*sizeof(struct focus_data_struct)); if (!temp) { fprintf(stderr,"Failure allocating list in Union function add_element_to_focus_data_array 2/3- Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iteratenum_elements;iterate++) temp[iterate] = focus_data_array->elements[iterate]; free(focus_data_array->elements); focus_data_array->num_elements++; focus_data_array-> elements = malloc(focus_data_array->num_elements*sizeof(struct focus_data_struct)); if (!focus_data_array->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_focus_data_array 3/3- Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements-1;iterate++) focus_data_array->elements[iterate] = temp[iterate]; free(temp); focus_data_array->elements[focus_data_array->num_elements-1] = focus_data; } }; void copy_focus_data_array(struct focus_data_array_struct *original_array, struct focus_data_array_struct *new_array) { new_array->num_elements = original_array->num_elements; new_array->elements = malloc(new_array->num_elements*sizeof(struct focus_data_struct)); if (new_array->elements == NULL) { fprintf(stderr, "Memory allocation failed in copy_focus_data_struct \n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iteratenum_elements;iterate++) { new_array->elements[iterate] = original_array->elements[iterate]; } }; void add_to_logger_with_data(struct logger_with_data_struct *logger_with_data, struct logger_struct *logger) { // May reorder the order of the if conditions to avoid checking the == 0 for every single ray if (logger_with_data->allocated_elements == 0) { logger_with_data->allocated_elements = 5; logger_with_data->logger_pointers = malloc(logger_with_data->allocated_elements*sizeof(struct logger_struct*)); if (!logger_with_data->logger_pointers) { fprintf(stderr,"Failure allocating list in Union function add_to_logger_with_data 1/3- Exit!\n"); exit(EXIT_FAILURE); } logger_with_data->used_elements = 1; logger_with_data->logger_pointers[0] = logger; } else if (logger_with_data->used_elements > logger_with_data->allocated_elements-1) { struct logger_with_data_struct temp_logger_with_data; temp_logger_with_data.logger_pointers = malloc((logger_with_data->used_elements)*sizeof(struct logger_struct*)); if (!temp_logger_with_data.logger_pointers) { fprintf(stderr,"Failure allocating list in Union function add_to_logger_with_data 2/3- Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iterateused_elements;iterate++) { temp_logger_with_data.logger_pointers[iterate] = logger_with_data->logger_pointers[iterate]; } free(logger_with_data->logger_pointers); logger_with_data->allocated_elements = logger_with_data->allocated_elements+5; logger_with_data->logger_pointers = malloc(logger_with_data->allocated_elements*sizeof(struct logger_struct*)); if (!logger_with_data->logger_pointers) { fprintf(stderr,"Failure allocating list in Union function add_to_logger_with_data 3/3- Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iterateused_elements;iterate++) { logger_with_data->logger_pointers[iterate] = temp_logger_with_data.logger_pointers[iterate]; } logger_with_data->logger_pointers[logger_with_data->used_elements++] = logger; // Clear up temporary memory free(temp_logger_with_data.logger_pointers); } else { logger_with_data->logger_pointers[logger_with_data->used_elements++] = logger; } }; void add_to_abs_logger_with_data(struct abs_logger_with_data_struct *abs_logger_with_data, struct abs_logger_struct *abs_logger) { // May reorder the order of the if conditions to avoid checking the == 0 for every single ray if (abs_logger_with_data->allocated_elements == 0) { abs_logger_with_data->allocated_elements = 5; abs_logger_with_data->abs_logger_pointers = malloc(abs_logger_with_data->allocated_elements*sizeof(struct abs_logger_struct*)); if (!abs_logger_with_data->abs_logger_pointers) { fprintf(stderr,"Failure allocating list in Union function add_to_abs_logger_with_data 1/3- Exit!\n"); exit(EXIT_FAILURE); } abs_logger_with_data->used_elements = 1; abs_logger_with_data->abs_logger_pointers[0] = abs_logger; } else if (abs_logger_with_data->used_elements > abs_logger_with_data->allocated_elements-1) { struct abs_logger_with_data_struct temp_abs_logger_with_data; temp_abs_logger_with_data.abs_logger_pointers = malloc((abs_logger_with_data->used_elements)*sizeof(struct abs_logger_struct*)); if (!temp_abs_logger_with_data.abs_logger_pointers) { fprintf(stderr,"Failure allocating list in Union function add_to_abs_logger_with_data 2/3- Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iterateused_elements;iterate++) { temp_abs_logger_with_data.abs_logger_pointers[iterate] = abs_logger_with_data->abs_logger_pointers[iterate]; } free(abs_logger_with_data->abs_logger_pointers); abs_logger_with_data->allocated_elements = abs_logger_with_data->allocated_elements+5; abs_logger_with_data->abs_logger_pointers = malloc(abs_logger_with_data->allocated_elements*sizeof(struct abs_logger_struct*)); if (!abs_logger_with_data->abs_logger_pointers) { fprintf(stderr,"Failure allocating list in Union function add_to_abs_logger_with_data 3/3- Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iterateused_elements;iterate++) { abs_logger_with_data->abs_logger_pointers[iterate] = temp_abs_logger_with_data.abs_logger_pointers[iterate]; } abs_logger_with_data->abs_logger_pointers[abs_logger_with_data->used_elements++] = abs_logger; // Clear up temporary memory free(temp_abs_logger_with_data.abs_logger_pointers); } else { abs_logger_with_data->abs_logger_pointers[abs_logger_with_data->used_elements++] = abs_logger; } }; // Used typedef to avoid having to change this function later. May update others to use same phillosphy. void add_function_to_conditional_list(struct conditional_list_struct *list,conditional_function_pointer new, union conditional_data_union *data_union) { if (list->num_elements == 0) { list->num_elements++; list->conditional_functions = malloc(list->num_elements*sizeof(conditional_function_pointer)); if (!list->conditional_functions) { fprintf(stderr,"Failure allocating list in Union function add_function_to_conditional_list 1/6 - Exit!\n"); exit(EXIT_FAILURE); } list->p_data_unions = malloc(list->num_elements*sizeof(union conditional_data_union*)); if (!list->p_data_unions) { fprintf(stderr,"Failure allocating list in Union function add_function_to_conditional_list 2/6 - Exit!\n"); exit(EXIT_FAILURE); } list->conditional_functions[0] = new; list->p_data_unions[0] = data_union; } else { conditional_function_pointer *temp_fp=malloc(list->num_elements*sizeof(conditional_function_pointer)); if (!temp_fp) { fprintf(stderr,"Failure allocating list in Union function add_function_to_conditional_list 3/6 - Exit!\n"); exit(EXIT_FAILURE); } union conditional_data_union **temp_du=malloc(list->num_elements*sizeof(union conditional_data_union)); if (!temp_du) { fprintf(stderr,"Failure allocating list in Union function add_function_to_conditional_list 4/6 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; // Could even get away with a shallow copy here instead of the loop, but it is not relevant for performance. for (iterate=0;iteratenum_elements;iterate++) { temp_fp[iterate] = list->conditional_functions[iterate]; temp_du[iterate] = list->p_data_unions[iterate]; } free(list->conditional_functions); free(list->p_data_unions); list->num_elements++; list->conditional_functions = malloc(list->num_elements*sizeof(conditional_function_pointer)); if (!list->conditional_functions) { fprintf(stderr,"Failure allocating list in Union function add_function_to_conditional_list 5/6 - Exit!\n"); exit(EXIT_FAILURE); } list->p_data_unions = malloc(list->num_elements*sizeof(union conditional_data_union*)); if (!list->p_data_unions) { fprintf(stderr,"Failure allocating list in Union function add_function_to_conditional_list 6/6 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements-1;iterate++) { list->conditional_functions[iterate] = temp_fp[iterate]; list->p_data_unions[iterate] = temp_du[iterate]; } list->conditional_functions[list->num_elements-1] = new; list->p_data_unions[list->num_elements-1] = data_union; } }; // could make function that removes a element from a 1d_int_list, and have each list generation as a function that takes a copy of an overlap list void print_1d_int_list(struct pointer_to_1d_int_list list,char *name) { int iterate; printf("LIST: ");printf("%s",name);printf(" = ["); for (iterate = 0; iterate < list.num_elements; iterate++) { printf("%d",list.elements[iterate]); if (iterate < list.num_elements - 1) printf(","); } printf("]\n"); }; void print_1d_double_list(struct pointer_to_1d_double_list list,char *name) { int iterate; printf("LIST: ");printf("%s",name);printf(" = ["); for (iterate = 0; iterate < list.num_elements; iterate++) { printf("%f",list.elements[iterate]); if (iterate < list.num_elements - 1) printf(","); } printf("]\n"); }; void print_position(Coords pos,char *name) { printf("POSITION: ");printf("%s",name);printf(" = (%f,%f,%f)\n",pos.x,pos.y,pos.z); }; void print_rotation(Rotation rot, char *name) { printf("ROT MATRIX: %s \n",name); printf("[%f %f %f]\n",rot[0][0],rot[0][1],rot[0][2]); printf("[%f %f %f]\n",rot[1][0],rot[1][1],rot[1][2]); printf("[%f %f %f]\n\n",rot[2][0],rot[2][1],rot[2][2]); }; void allocate_list_from_temp(int num_elements,struct pointer_to_1d_int_list original,struct pointer_to_1d_int_list *new) { int iterate; new->num_elements = num_elements; if (num_elements > 0) { new->elements = malloc(num_elements*sizeof(int)); if (!new->elements) { fprintf(stderr,"Failure allocating list in Union function allocate_list_from_temp - Exit!\n"); exit(EXIT_FAILURE); } for (iterate = 0;iterate < num_elements; iterate++) new->elements[iterate] = original.elements[iterate]; } else new->elements = NULL; }; void allocate_logic_list_from_temp(int num_elements,struct pointer_to_1d_int_list original, struct pointer_to_1d_int_list *new) { // A logic list shares the same structure of a normal list, but instead of listing numbers, it is a list of yes / no (1/0) // Giving this function a list of [1 3 5] (and num_elements = 9) would return [0 1 0 1 0 1 0 0 0]; int iterate; new->num_elements = num_elements; if (num_elements > 0) { new->elements = malloc(num_elements*sizeof(int)); if (!new->elements) { fprintf(stderr,"Failure allocating list in Union function allocate_logic_list_from_temp - Exit!\n"); exit(EXIT_FAILURE); } for (iterate = 0;iterate < num_elements;iterate++) new->elements[iterate] = 0; for (iterate = 0;iterate < original.num_elements;iterate++) { if (original.elements[iterate] < num_elements) new->elements[original.elements[iterate]] = 1; else printf("Trying to allocate logical list without enough memory\n"); } } else new->elements = NULL; }; /* struct global_positions_to_transform_list_struct { int num_elements; Coords **positions; } struct global_rotations_to_transform_list_struct { int num_elements; Rotation **rotations; } */ void add_position_pointer_to_list(struct global_positions_to_transform_list_struct *list, Coords *new_position_pointer) { if (list->num_elements == 0) { list->num_elements++; list->positions = malloc(list->num_elements*sizeof(Coords*)); if (!list->positions) { fprintf(stderr,"Failure allocating list in Union function add_position_pointer_to_list - Exit!\n"); exit(EXIT_FAILURE); } list->positions[0] = new_position_pointer; } else { Coords **temp; temp = malloc(list->num_elements*sizeof(Coords*)); if (temp == NULL) { fprintf(stderr,"malloc failed in add_position_pointer_to_list for temp\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iteratenum_elements;iterate++) temp[iterate] = list->positions[iterate]; free(list->positions); list->num_elements++; list->positions = malloc(list->num_elements*sizeof(Coords*)); if (list->positions == NULL) { fprintf(stderr,"malloc failed in add_position_pointer_to_list for list->positions\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements-1;iterate++) list->positions[iterate] = temp[iterate]; free(temp); list->positions[list->num_elements-1] = new_position_pointer; } }; void add_rotation_pointer_to_list(struct global_rotations_to_transform_list_struct *list, Rotation *new_rotation_pointer) { if (list->num_elements == 0) { list->num_elements++; list->rotations = malloc(list->num_elements*sizeof(Rotation*)); if (!list->rotations) { fprintf(stderr,"Failure allocating list in Union function add_rotation_pointer_to_list 1 - Exit!\n"); exit(EXIT_FAILURE); } list->rotations[0] = new_rotation_pointer; } else { Rotation **temp; temp = malloc(list->num_elements*sizeof(Rotation*)); if (!temp) { fprintf(stderr,"Failure allocating list in Union function add_rotation_pointer_to_list 2 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iteratenum_elements;iterate++) temp[iterate] = list->rotations[iterate]; free(list->rotations); list->num_elements++; list->rotations = malloc(list->num_elements*sizeof(Rotation*)); if (!list->rotations) { fprintf(stderr,"Failure allocating list in Union function add_rotation_pointer_to_list 3 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements-1;iterate++) list->rotations[iterate] = temp[iterate]; free(temp); list->rotations[list->num_elements-1] = new_rotation_pointer; } }; void add_element_to_process_list(struct pointer_to_global_process_list *list,struct global_process_element_struct new_element) { if (list->num_elements == 0) { list->num_elements++; list-> elements = malloc(list->num_elements*sizeof(struct global_process_element_struct)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_process_list 1 - Exit!\n"); exit(EXIT_FAILURE); } list-> elements[0] = new_element; } else { struct global_process_element_struct *temp=malloc(list->num_elements*sizeof(struct global_process_element_struct)); if (!temp) { fprintf(stderr,"Failure allocating list in Union function add_element_to_process_list 1 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iteratenum_elements;iterate++) temp[iterate] = list->elements[iterate]; free(list->elements); list->num_elements++; list-> elements = malloc(list->num_elements*sizeof(struct global_process_element_struct)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_process_list 3 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements-1;iterate++) list->elements[iterate] = temp[iterate]; free(temp); list->elements[list->num_elements-1] = new_element; } }; void add_element_to_material_list(struct pointer_to_global_material_list *list,struct global_material_element_struct new_element) { if (list->num_elements == 0) { list->num_elements++; list->elements = malloc(list->num_elements*sizeof(struct global_material_element_struct)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_material_list 1 - Exit!\n"); exit(EXIT_FAILURE); } list->elements[0] = new_element; } else { struct global_material_element_struct *temp=malloc(list->num_elements*sizeof(struct global_material_element_struct)); if (!temp) { fprintf(stderr,"Failure allocating list in Union function add_element_to_material_list 2 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iteratenum_elements;iterate++) temp[iterate] = list->elements[iterate]; free(list->elements); list->num_elements++; list-> elements = malloc(list->num_elements*sizeof(struct global_material_element_struct)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_material_list 3 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements-1;iterate++) list->elements[iterate] = temp[iterate]; free(temp); list->elements[list->num_elements-1] = new_element; } }; void add_element_to_surface_list(struct pointer_to_global_surface_list *list, struct global_surface_element_struct new_element) { if (list->num_elements == 0) { list->num_elements++; list->elements = malloc(list->num_elements*sizeof(struct global_surface_element_struct)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_surface_list 1 - Exit!\n"); exit(EXIT_FAILURE); } list->elements[0] = new_element; } else { struct global_surface_element_struct *temp=malloc(list->num_elements*sizeof(struct global_surface_element_struct)); if (!temp) { fprintf(stderr,"Failure allocating list in Union function add_element_to_surface_list 2 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iteratenum_elements;iterate++) temp[iterate] = list->elements[iterate]; free(list->elements); list->num_elements++; list-> elements = malloc(list->num_elements*sizeof(struct global_surface_element_struct)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_surface_list 3 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements-1;iterate++) list->elements[iterate] = temp[iterate]; free(temp); list->elements[list->num_elements-1] = new_element; } }; void add_element_to_surface_stack(struct surface_stack_struct *list, struct surface_process_struct *new_element) { if (list->number_of_surfaces == 0) { if (!list->p_surface_array) { fprintf(stderr, "Memory allocation failed\n"); exit(EXIT_FAILURE); } list->p_surface_array[0] = new_element; list->number_of_surfaces = 1; } else { // Reallocate with space for one more element struct surface_process_struct **temp = realloc(list->p_surface_array, (list->number_of_surfaces + 1) * sizeof(struct surface_process_struct*)); if (!temp) { fprintf(stderr, "Memory reallocation failed\n"); exit(EXIT_FAILURE); } list->p_surface_array = temp; list->p_surface_array[list->number_of_surfaces] = new_element; list->number_of_surfaces++; } }; void add_element_to_geometry_list(struct pointer_to_global_geometry_list *list,struct global_geometry_element_struct new_element) { if (list->num_elements == 0) { list->num_elements++; list->elements = malloc(list->num_elements*sizeof(struct global_geometry_element_struct)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_geometry_list 1 - Exit!\n"); exit(EXIT_FAILURE); } list->elements[0] = new_element; } else { struct global_geometry_element_struct *temp=malloc(list->num_elements*sizeof(struct global_geometry_element_struct)); if (!temp) { fprintf(stderr,"Failure allocating list in Union function add_element_to_geometry_list 2 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iteratenum_elements;iterate++) temp[iterate] = list->elements[iterate]; free(list->elements); list->num_elements++; list-> elements = malloc(list->num_elements*sizeof(struct global_geometry_element_struct)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_geometry_list 3 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements-1;iterate++) list->elements[iterate] = temp[iterate]; free(temp); list->elements[list->num_elements-1] = new_element; } }; void add_element_to_logger_list(struct pointer_to_global_logger_list *list,struct global_logger_element_struct new_element) { if (list->num_elements == 0) { list->num_elements++; list->elements = malloc(list->num_elements*sizeof(struct global_logger_element_struct)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_logger_list 1 - Exit!\n"); exit(EXIT_FAILURE); } list->elements[0] = new_element; } else { struct global_logger_element_struct *temp=malloc(list->num_elements*sizeof(struct global_logger_element_struct)); if (!temp) { fprintf(stderr,"Failure allocating list in Union function add_element_to_logger_list 2 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iteratenum_elements;iterate++) temp[iterate] = list->elements[iterate]; free(list->elements); list->num_elements++; list-> elements = malloc(list->num_elements*sizeof(struct global_logger_element_struct)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_logger_list 3 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements-1;iterate++) list->elements[iterate] = temp[iterate]; free(temp); list->elements[list->num_elements-1] = new_element; } }; void add_element_to_abs_logger_list(struct pointer_to_global_abs_logger_list *list, struct global_abs_logger_element_struct new_element) { if (list->num_elements == 0) { list->num_elements++; list->elements = malloc(list->num_elements*sizeof(struct global_abs_logger_element_struct)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_abs_logger_list 1 - Exit!\n"); exit(EXIT_FAILURE); } list->elements[0] = new_element; } else { struct global_abs_logger_element_struct *temp=malloc(list->num_elements*sizeof(struct global_abs_logger_element_struct)); if (!temp) { fprintf(stderr,"Failure allocating list in Union function add_element_to_abs_logger_list 2 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iteratenum_elements;iterate++) temp[iterate] = list->elements[iterate]; free(list->elements); list->num_elements++; list-> elements = malloc(list->num_elements*sizeof(struct global_abs_logger_element_struct)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_abs_logger_list 3 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements-1;iterate++) list->elements[iterate] = temp[iterate]; free(temp); list->elements[list->num_elements-1] = new_element; } }; void add_element_to_tagging_conditional_list(struct global_tagging_conditional_list_struct *list,struct global_tagging_conditional_element_struct new_element) { if (list->num_elements == 0) { list->num_elements++; list->elements = malloc(list->num_elements*sizeof(struct global_tagging_conditional_element_struct)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_tagging_conditional_list 1 - Exit!\n"); exit(EXIT_FAILURE); } list->elements[0] = new_element; } else { struct global_tagging_conditional_element_struct *temp=malloc(list->num_elements*sizeof(struct global_tagging_conditional_element_struct)); if (!temp) { fprintf(stderr,"Failure allocating list in Union function add_element_to_tagging_conditional_list 2 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iteratenum_elements;iterate++) temp[iterate] = list->elements[iterate]; free(list->elements); list->num_elements++; list->elements = malloc(list->num_elements*sizeof(struct global_tagging_conditional_element_struct)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_tagging_conditional_list 3 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements-1;iterate++) list->elements[iterate] = temp[iterate]; free(temp); list->elements[list->num_elements-1] = new_element; } }; void add_element_to_master_list(struct pointer_to_global_master_list *list,struct global_master_element_struct new_element) { if (list->num_elements == 0) { list->num_elements++; list->elements = malloc(list->num_elements*sizeof(struct global_master_element_struct)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_master_list 1 - Exit!\n"); exit(EXIT_FAILURE); } list->elements[0] = new_element; } else { struct global_master_element_struct *temp=malloc(list->num_elements*sizeof(struct global_master_element_struct)); if (!temp) { fprintf(stderr,"Failure allocating list in Union function add_element_to_master_list 2 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iteratenum_elements;iterate++) temp[iterate] = list->elements[iterate]; free(list->elements); list->num_elements++; list-> elements = malloc(list->num_elements*sizeof(struct global_master_element_struct)); if (!list->elements) { fprintf(stderr,"Failure allocating list in Union function add_element_to_master_list 3 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements-1;iterate++) list->elements[iterate] = temp[iterate]; free(temp); list->elements[list->num_elements-1] = new_element; } }; void add_initialized_logger_in_volume(struct loggers_struct *loggers,int number_of_processes) { int iterate; if (loggers->num_elements == 0) { loggers->num_elements++; loggers->p_logger_volume = malloc(loggers->num_elements * sizeof(struct logger_for_each_process_list)); if (!loggers->p_logger_volume) { fprintf(stderr,"Failure allocating list in Union function add_initialized_logger_in_volume 1 - Exit!\n"); exit(EXIT_FAILURE); } loggers->p_logger_volume[0].num_elements = number_of_processes; loggers->p_logger_volume[0].p_logger_process = malloc(number_of_processes * sizeof(struct logger_struct**)); if (!loggers->p_logger_volume[0].p_logger_process) { fprintf(stderr,"Failure allocating list in Union function add_initialized_logger_in_volume 2 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratep_logger_volume[0].p_logger_process[iterate] = NULL; } else { // Already some elements, store them in temp, free main, transfer back and add newest. struct logger_for_each_process_list *temp=malloc(loggers->num_elements*sizeof(struct logger_for_each_process_list)); if (!temp) { fprintf(stderr,"Failure allocating list in Union function add_initialized_logger_in_volume 3 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements;iterate++) temp[iterate] = loggers->p_logger_volume[iterate]; free(loggers->p_logger_volume); loggers->num_elements++; loggers->p_logger_volume = malloc(loggers->num_elements*sizeof(struct logger_for_each_process_list)); if (!loggers->p_logger_volume) { fprintf(stderr,"Failure allocating list in Union function add_initialized_logger_in_volume 4 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements-1;iterate++) loggers->p_logger_volume[iterate] = temp[iterate]; free(temp); loggers->p_logger_volume[loggers->num_elements-1].num_elements = number_of_processes; loggers->p_logger_volume[loggers->num_elements-1].p_logger_process = malloc(number_of_processes * sizeof(struct logger_struct**)); if (!loggers->p_logger_volume[loggers->num_elements-1].p_logger_process) { fprintf(stderr,"Failure allocating list in Union function add_initialized_logger_in_volume 5 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratep_logger_volume[loggers->num_elements-1].p_logger_process[iterate] = NULL; } } }; void add_initialized_abs_logger_in_volume(struct abs_loggers_struct *abs_loggers) { int iterate; if (abs_loggers->num_elements == 0) { abs_loggers->num_elements++; abs_loggers->p_abs_logger = malloc(abs_loggers->num_elements * sizeof(struct abs_logger_struct*)); if (!abs_loggers->p_abs_logger) { fprintf(stderr,"Failure allocating list in Union function add_initialized_abs_logger_in_volume 1 - Exit!\n"); exit(EXIT_FAILURE); } } else { // Already some elements, store them in temp, free main, transfer back and add newest. struct abs_logger_struct **temp=malloc(abs_loggers->num_elements*sizeof(struct abs_logger_struct *)); if (!temp) { fprintf(stderr,"Failure allocating list in Union function add_initialized_abs_logger_in_volume 2 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements;iterate++) temp[iterate] = abs_loggers->p_abs_logger[iterate]; free(abs_loggers->p_abs_logger); abs_loggers->num_elements++; abs_loggers->p_abs_logger = malloc(abs_loggers->num_elements*sizeof(struct abs_logger_struct*)); if (!abs_loggers->p_abs_logger) { fprintf(stderr,"Failure allocating list in Union function add_initialized_abs_logger_in_volume 3 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements-1;iterate++) abs_loggers->p_abs_logger[iterate] = temp[iterate]; free(temp); abs_loggers->p_abs_logger[abs_loggers->num_elements-1] = NULL; } }; // ------------- Functions used to shorten master trace --------------------------------------------- void update_current_mask_intersect_status(struct pointer_to_1d_int_list *current_mask_intersect_list_status, struct pointer_to_1d_int_list *mask_status_list, struct Volume_struct **Volumes, int *current_volume) { // This function is to be executed whenever the current volume changes, or the mask status changes // It updates the effective mask status for each element of a volumes mask_intersect_list // The effective mask takes the ALL/ANY mode assosiated with each volume into account, // meaning a volume needs to be within ALL/ANY of it's masks to have a status of 1 // In most cases this mask_intersect_list will be empty, and memory operations are avoided //printf("Number of elements to be check: %d \n",Volumes[*current_volume]->geometry.mask_intersect_list.num_elements); if (Volumes[*current_volume]->geometry.mask_intersect_list.num_elements > 0) { int iterate,this_element,*mask_start,*mask_check; for (iterate=0;iterategeometry.mask_intersect_list.num_elements;iterate++) { this_element = Volumes[*current_volume]->geometry.mask_intersect_list.elements[iterate]; //printf("We are investigating volume number %d from the mask_intersect_list of volume %d",this_element,*current_volume); if (Volumes[this_element]->geometry.mask_mode == 2) { // ANY mask mode //printf("We are in ANY mask mode! \n"); current_mask_intersect_list_status->elements[iterate] = 0; // Assume the mask status is 0, but if any are 1, take that instead for (mask_start=mask_check=Volumes[this_element]->geometry.masked_by_mask_index_list.elements;mask_check-mask_startgeometry.masked_by_mask_index_list.num_elements;mask_check++) { //printf("Checking all the mask statuses of volumes masking %d, now mask with global mask index %d ! \n",this_element,*mask_check); if (mask_status_list->elements[*mask_check] == 1) { //printf("The status was 1, so the effective status is set to 1 and the loop is stopped"); current_mask_intersect_list_status->elements[iterate] = 1; break; } } } else { // ALL mask mode //printf("We are in ALL mask mode! \n"); current_mask_intersect_list_status->elements[iterate] = 1; // Assume the mask status is 1, but if any one is 0, take that instead for (mask_start=mask_check=Volumes[this_element]->geometry.masked_by_mask_index_list.elements;mask_check-mask_startgeometry.masked_by_mask_index_list.num_elements;mask_check++) { //printf("Checking all the mask statuses of volumes masking %d, now mask with global mask index %d ! \n",this_element,*mask_check); if (mask_status_list->elements[*mask_check] == 0) { //printf("The status was 0, so the effective status is set to 0 and the loop is stopped \n"); current_mask_intersect_list_status->elements[iterate] = 0; break; } } } } } /* Original version compatible with trace scope for (iterate=0;iterategeometry.mask_intersect_list.num_elements;iterate++) { this_element = Volumes[current_volume]->geometry.mask_intersect_list.elements[iterate]; if (Volumes[this_element]->geometry.mask_mode == 2) { // ANY mask mode current_mask_intersect_list_status.elements[iterate] = 0; // Assume the mask status is 0, but if any are 1, take that instead for (mask_start=mask_check=Volumes[this_element]->geometry.masked_by_mask_index_list.elements;mask_check-mask_startgeometry.masked_by_mask_index_list.num_elements;mask_check++) { if (mask_status_list[*mask_check] == 1) { current_mask_intersect_list_status.elements[iterate] = 1; break; } } } else { // ALL mask mode current_mask_intersect_list_status.elements[iterate] = 1; // Assume the mask status is 1, but if any one is 0, take that instead for (mask_start=mask_check=Volumes[this_element]->geometry.masked_by_mask_index_list.elements;mask_check-mask_startgeometry.masked_by_mask_index_list.num_elements;mask_check++) { if (mask_status_list[*mask_check] == 0) { current_mask_intersect_list_status.elements[iterate] = 0; break; } } } } */ } // ------------- Tagging functions ------------------------------------------------------------------ struct tagging_tree_node_struct { // Statistics: double intensity; int number_of_rays; // tree pointers struct tagging_tree_node_struct *above; // Pointer to node above struct tagging_tree_node_struct **volume_branches; struct tagging_tree_node_struct **process_branches; }; struct list_of_tagging_tree_node_pointers { struct tagging_tree_node_struct **elements; int num_elements; }; struct tagging_tree_node_struct *make_tagging_tree_node(void) { return (struct tagging_tree_node_struct *) malloc(sizeof(struct tagging_tree_node_struct)); } struct tagging_tree_node_struct *simple_initialize_tagging_tree_node(struct tagging_tree_node_struct *new_node) { new_node = make_tagging_tree_node(); if (new_node == NULL) printf("ERROR, Union tagging system could not allocate memory\n"); new_node->intensity = 4.2; // (double) 4.2; new_node->number_of_rays = 42; //(int) 42; printf("new_node->intensity = %f, new_node->number_of_rays = %d \n",new_node->intensity,new_node->number_of_rays); return new_node; }; struct tagging_tree_node_struct *initialize_tagging_tree_node(struct tagging_tree_node_struct *new_node, struct tagging_tree_node_struct *above_node, struct Volume_struct *this_volume) { new_node = make_tagging_tree_node(); new_node->intensity = (double) 0; new_node->number_of_rays = (int) 0; new_node->above = above_node; int next_volume_list_length = this_volume->geometry.next_volume_list.num_elements; new_node->volume_branches = malloc(next_volume_list_length*sizeof(struct tagging_tree_node_struct*)); if (!new_node->volume_branches) { fprintf(stderr,"Failure allocating list in Union function tagging_tree_node_struct 1 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; // Initializing pointers so that they can be checked for NULL later. Is this redundant? Does malloc return null pointers? for (iterate=0;iteratevolume_branches[iterate] = NULL; int number_of_processes; if (this_volume->p_physics == NULL) number_of_processes = 0; else number_of_processes = this_volume->p_physics->number_of_processes; new_node->process_branches = malloc(number_of_processes*sizeof(struct tagging_tree_node_struct*)); if (!new_node->process_branches) { fprintf(stderr,"Failure allocating list in Union function tagging_tree_node_struct 2 - Exit!\n"); exit(EXIT_FAILURE); } // Initializing pointers so that they can be checked for NULL later. Is this redundant? Does malloc return null pointers? for (iterate=0;iterateprocess_branches[iterate] = NULL; return new_node; }; struct tagging_tree_node_struct *goto_process_node(struct tagging_tree_node_struct *current_node, int process_index, struct Volume_struct *this_volume, int *stop_tagging_ray, int stop_creating_nodes) { // Either create a new node if it has not been created yet, or travel down the tree if (current_node->process_branches[process_index] == NULL) { if (stop_creating_nodes == 0) { current_node->process_branches[process_index] = initialize_tagging_tree_node(current_node->process_branches[process_index],current_node,this_volume); return current_node->process_branches[process_index]; } else { // This stops the ray from using more goto node functions and being counted in the statistics. // Happens because the history limit is reached, and no new histories should be started. *stop_tagging_ray = 1; return current_node; } } else { current_node = current_node->process_branches[process_index]; return current_node; } //return current_node; }; struct tagging_tree_node_struct *goto_volume_node(struct tagging_tree_node_struct *current_node,int current_volume, int next_volume, struct Volume_struct **Volumes, int *stop_tagging_ray, int stop_creating_nodes) { // I have only allocated the number of node branches that corresponds to the current_volumes next_volume_list // The problem is to find where on the destination list the current volume is without doing a manual search // With the new mask system there is a risk of going from and to the same volume, which should be ignored by the tagging system if (current_volume == next_volume) return current_node; struct tagging_tree_node_struct *output; int next_volume_list_index = -1; // Temporary slow method for finding the correct index on the destination list int iterate; for (iterate=0;iterategeometry.next_volume_list.num_elements;iterate++) if (Volumes[current_volume]->geometry.next_volume_list.elements[iterate] == next_volume) { next_volume_list_index = iterate; break; } // Debug phase //printf("Tagging: going from volume %d to volume %d, which is index number %d on it's next volume list \n",current_volume,next_volume,next_volume_list_index); #ifndef OPENACC if (next_volume_list_index == -1) { printf("ERROR in Union component, tagging or destination system failed, next volume was not on next volume list\n"); printf("current_volume = %d, next_volume = %d \n",current_volume,next_volume); print_1d_int_list(Volumes[current_volume]->geometry.destinations_list,"destinations_list for current volume"); exit(EXIT_FAILURE); } #endif // Either create a new node if it has not been created yet, or travel down the tree if (current_node->volume_branches[next_volume_list_index] == NULL) { if (stop_creating_nodes == 0) { current_node->volume_branches[next_volume_list_index] = initialize_tagging_tree_node(current_node->volume_branches[next_volume_list_index],current_node,Volumes[next_volume]); return current_node->volume_branches[next_volume_list_index]; } else { // This stops the ray from using more goto node functions and being counted in the statistics. // Happens because the history limit is reached, and no new histories should be started. *stop_tagging_ray = 1; return current_node; } } else { //current_node = current_node->volume_branches[next_volume_list_index]; //return current_node; current_node = current_node->volume_branches[next_volume_list_index]; //printf("used allocated node \n"); return current_node; } }; void add_statistics_to_node(struct tagging_tree_node_struct *current_node, Coords *r, Coords *v, double *weight, int *counter) { if (current_node->number_of_rays == 0) (*counter)++; current_node->number_of_rays = current_node->number_of_rays + 1; current_node->intensity = current_node->intensity + *weight; }; struct history_node_struct { int volume_index; int process_index; }; struct dynamic_history_list { struct history_node_struct *elements; int used_elements; int allocated_elements; }; struct saved_history_struct { struct history_node_struct *elements; int used_elements; double intensity; int number_of_rays; }; struct total_history_struct { struct saved_history_struct *saved_histories; int used_elements; int allocated_elements; }; void add_to_history(struct dynamic_history_list *history, int volume_index, int process_index) { //printf("Adding to history[%d]: volume_index = %d, process_index = %d \n",history->used_elements,volume_index,process_index); if (history->allocated_elements == 0) { history->elements = malloc(5*sizeof(struct history_node_struct)); if (!history->elements) { fprintf(stderr,"Failure allocating list in Union function add_to_history 1 - Exit!\n"); exit(EXIT_FAILURE); } history->used_elements = 1; history->allocated_elements = 5; history->elements[0].volume_index = volume_index; history->elements[0].process_index = process_index; } else if (history->used_elements > history->allocated_elements-1) { struct dynamic_history_list temp_history; temp_history.elements = malloc((history->used_elements)*sizeof(struct history_node_struct)); if (!temp_history.elements) { fprintf(stderr,"Failure allocating list in Union function add_to_history 2 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iterateused_elements;iterate++) { temp_history.elements[iterate].volume_index = history->elements[iterate].volume_index; temp_history.elements[iterate].process_index = history->elements[iterate].process_index; } free(history->elements); history->elements = malloc((history->allocated_elements+5)*sizeof(struct history_node_struct)); if (!history->elements) { fprintf(stderr,"Failure allocating list in Union function add_to_history 3 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iterateused_elements;iterate++) { history->elements[iterate].volume_index = temp_history.elements[iterate].volume_index; history->elements[iterate].process_index = temp_history.elements[iterate].process_index; } history->allocated_elements = history->allocated_elements+5; history->elements[history->used_elements].volume_index = volume_index; history->elements[history->used_elements].process_index = process_index; history->used_elements = history->used_elements+1; // Clear up temporary memory free(temp_history.elements); } else { history->elements[history->used_elements].volume_index = volume_index; history->elements[history->used_elements].process_index = process_index; history->used_elements++; } }; void printf_history(struct dynamic_history_list *history) { int history_iterate; //printf("History number %d, intensity = %f, number of rays = %d:",hist_num, search_node->intensity, search_node->number_of_rays); for (history_iterate=0;history_iterateused_elements-1;history_iterate++) { if (history->elements[history_iterate].process_index == -1) { printf(" V%d ->",history->elements[history_iterate].volume_index); } else { printf(" P%d ->",history->elements[history_iterate].process_index); } } if (history->elements[history_iterate].process_index == -1) { printf(" V%d \n",history->elements[history_iterate].volume_index); } else { printf(" P%d \n",history->elements[history_iterate].process_index); } } void fprintf_total_history(struct saved_history_struct *history, FILE *fp) { fprintf(fp,"%d\t N I=%E \t", history->number_of_rays, history->intensity); int history_iterate; for (history_iterate=0;history_iterateused_elements-1;history_iterate++) { if (history->elements[history_iterate].process_index == -1) { fprintf(fp," V%d ->",history->elements[history_iterate].volume_index); } else { fprintf(fp," P%d ->",history->elements[history_iterate].process_index); } } if (history->elements[history_iterate].process_index == -1) { fprintf(fp," V%d \n",history->elements[history_iterate].volume_index); } else { fprintf(fp," P%d \n",history->elements[history_iterate].process_index); } } int Sample_compare_history_intensities (const void* a, const void* b) { const double da = ((const struct saved_history_struct *)a)->intensity; const double db = ((const struct saved_history_struct *)b)->intensity; return (da < db) - (da > db); } void write_tagging_tree(struct list_of_tagging_tree_node_pointers *master_list, struct Volume_struct **Volumes, int total_history_counter, int number_of_volumes) { // Start from top of tree, go to extremeties, take results and add to disk / database, free that node int volume_index,done,volume_iterate,process_iterate,current_volume,next_node_found,current_number_of_processes,history_iterate,hist_num; struct tagging_tree_node_struct *search_node; struct tagging_tree_node_struct **kill_candidate; struct dynamic_history_list history_data; // Allocate the history list struct struct dynamic_history_list *history; // Use this pointer in the algorithm struct total_history_struct total_history; total_history.saved_histories = malloc(total_history_counter * sizeof(struct saved_history_struct)); if (!total_history.saved_histories) { fprintf(stderr,"Failure allocating list in Union function write_tagging_tree 1 - Exit!\n"); exit(EXIT_FAILURE); } total_history.allocated_elements = total_history_counter; total_history.used_elements = 0; history = &history_data; history->used_elements = 0; history->allocated_elements = 0; hist_num = 0; for (volume_index=0;volume_indexnum_elements;volume_index++) { search_node = master_list->elements[volume_index]; if (volume_index != 0) current_number_of_processes = Volumes[volume_index]->p_physics->number_of_processes; else current_number_of_processes = 0; current_volume = volume_index; done = 0; history->used_elements = 0; add_to_history(history,current_volume,-1); while(done == 0) { next_node_found=0; for (volume_iterate=0;volume_iterategeometry.next_volume_list.num_elements;volume_iterate++) { //printf("searc_node->volume_branches[0]->intensity = %f\n",search_node->volume_branches[0]->intensity); if (search_node->volume_branches[volume_iterate] != NULL) { current_volume = Volumes[current_volume]->geometry.next_volume_list.elements[volume_iterate]; if (current_volume != 0) current_number_of_processes = Volumes[current_volume]->p_physics->number_of_processes; else current_number_of_processes = 0; //search_node = &(search_node->volume_branches[volume_iterate]); kill_candidate = &(search_node->volume_branches[volume_iterate]); search_node = search_node->volume_branches[volume_iterate]; next_node_found = 1; add_to_history(history,current_volume,-1); //printf_history(history); break; } } if (next_node_found == 0) { //printf("doing process loop with %d steps \n",current_number_of_processes); for (process_iterate=0;process_iterateprocess_branches[volume_iterate]) != NULL) { if (search_node->process_branches[process_iterate] != NULL) { //printf("was not NULL (process)\n"); //search_node = &(search_node->process_branches[process_iterate]); kill_candidate = &(search_node->process_branches[process_iterate]); search_node = search_node->process_branches[process_iterate]; next_node_found = 1; add_to_history(history,current_volume,process_iterate); //printf_history(history); break; } } } if (next_node_found == 0) { // write this history to disk / memory hist_num++; //printf("Reached next_node_found == 0 \n"); if (history->used_elements > 0 && search_node->number_of_rays > 0) { //printf("%d rays (I=%E) with history: \t", search_node->number_of_rays, search_node->intensity); //printf_history(history); total_history.saved_histories[total_history.used_elements].used_elements = history->used_elements; total_history.saved_histories[total_history.used_elements].elements = malloc(total_history.saved_histories[total_history.used_elements].used_elements*sizeof(struct history_node_struct)); if (!total_history.saved_histories[total_history.used_elements].elements) { fprintf(stderr,"Failure allocating list in Union function write_tagging_tree 2 - Exit!\n"); exit(EXIT_FAILURE); } for (history_iterate = 0;history_iterateused_elements;history_iterate++) { total_history.saved_histories[total_history.used_elements].elements[history_iterate] = history->elements[history_iterate]; //printf("total_history.saved_histories[total_history.used_elements].elements[%d].volume_index \n",history_iterate,total_history.saved_histories[total_history.used_elements].elements[history_iterate].volume_index); } //total_history.saved_histories[total_history.used_elements].elements = history->elements; total_history.saved_histories[total_history.used_elements].intensity = search_node->intensity; total_history.saved_histories[total_history.used_elements].number_of_rays = search_node->number_of_rays; total_history.used_elements++; } history->used_elements = 0; // end of tree, no new nodes if (search_node->above == NULL) { done = 1; } else { // reset to the root of the tree *kill_candidate = NULL; free(search_node); search_node = master_list->elements[volume_index]; if (volume_index != 0) current_number_of_processes = Volumes[volume_index]->p_physics->number_of_processes; else current_number_of_processes = 0; current_volume = volume_index; add_to_history(history,current_volume,-1); } } } } if (history->allocated_elements > 0) free(history->elements); qsort(total_history.saved_histories,total_history.used_elements,sizeof (struct saved_history_struct), Sample_compare_history_intensities); MPI_MASTER( printf("\n\n"); printf("Top 20 most common histories. Shows the index of volumes entered (VX), and the scattering processes (PX)\n"); for (history_iterate=0;history_iteratename); fprintf(fp,"Material: %s ",Volumes[volume_iterate]->p_physics->name); for (process_iterate=0;process_iteratep_physics->number_of_processes;process_iterate++) { fprintf(fp," P%d: %s",process_iterate,Volumes[volume_iterate]->p_physics->p_scattering_array[process_iterate].name); } fprintf(fp,"\n"); } fprintf(fp,"----- Histories sorted after intensity ----------------------------------------------------------------------------------\n"); for (history_iterate=0;history_iterate 0) free(total_history.saved_histories[history_iterate].elements); } fclose(fp); } ) // Garbage collection if (total_history.allocated_elements > 0) free(total_history.saved_histories); }; // ------------- Intersection table functions -------------------------------------------------------- int clear_intersection_table(struct intersection_time_table_struct *intersection_time_table) { // Resets the intersection table when a scattering have occured. int iterate_volumes,iterate_solutions; // Start at one because vacuum (0) does not have a listing in the intersection table for (iterate_volumes = 1;iterate_volumes < intersection_time_table->num_volumes;iterate_volumes++) { intersection_time_table->calculated[iterate_volumes] = 0; // This second loop is added for safty in debugging phase, but can be removed as the information should never be accesed when calculated = 0 for (iterate_solutions = 0;iterate_solutions < intersection_time_table->n_elements[iterate_volumes];iterate_solutions++) { intersection_time_table->intersection_times[iterate_volumes][iterate_solutions] = -1; } } return 1; }; void print_intersection_table(struct intersection_time_table_struct *intersection_time_table) { int num_volumes,iterate,solutions; int max_number_of_solutions = 0; num_volumes = intersection_time_table->num_volumes; for (iterate = 0;iterate < num_volumes;iterate++) { if (max_number_of_solutions < intersection_time_table->n_elements[iterate]) max_number_of_solutions = intersection_time_table->n_elements[iterate]; } printf("------------------ INTERSECTION_TIME_TABLE -----------------"); for (solutions = 2;solutions < max_number_of_solutions;solutions++) printf("------------"); printf("\n"); // printf("iterate |"); printf(" "); printf("| CALCULATED |"); for (solutions = 0;solutions < max_number_of_solutions;solutions++) { printf(" - SOLUTION %d - |", solutions); } for (solutions = 0;solutions < max_number_of_solutions;solutions++) { printf(" - SURFACE %d - |", solutions); } printf("\n"); for (iterate = 0;iterate < num_volumes;iterate++){ // print iterate number printf("Volume %d |",iterate); printf(" ---- %d ---- |",intersection_time_table->calculated[iterate]); for (solutions = 0;solutions < max_number_of_solutions;solutions++) { if (intersection_time_table->n_elements[iterate] > solutions && intersection_time_table->calculated[iterate] == 1) if (intersection_time_table->intersection_times[iterate][solutions] > 0) printf(" %1.8f |",intersection_time_table->intersection_times[iterate][solutions]); else printf(" %1.7f |",intersection_time_table->intersection_times[iterate][solutions]); else printf(" |"); } for (solutions = 0;solutions < max_number_of_solutions;solutions++) { if (intersection_time_table->n_elements[iterate] > solutions && intersection_time_table->calculated[iterate] == 1) printf(" %1.9d |",intersection_time_table->surface_index[iterate][solutions]); else printf(" |"); } printf("\n"); } printf("------------------------------------------------------------"); for (solutions = 2;solutions < max_number_of_solutions;solutions++) printf("------------"); printf("\n"); }; // ------------- Drawing functions -------------------------------------------------------- void merge_lines_to_draw(struct lines_to_draw *lines_master,struct lines_to_draw *lines_new) { if (lines_master->number_of_lines == 0) { lines_master->number_of_lines = lines_new->number_of_lines; if (!lines_master->number_of_lines) { return; } lines_master->lines = malloc(lines_master->number_of_lines*sizeof(struct line_segment)); if (!lines_master->lines) { fprintf(stderr,"Failure allocating list in Union function merge_lines_to_draw 2 - Exit!\n"); exit(EXIT_FAILURE); } lines_master->lines = lines_new->lines; // One could free lines_new->lines; } else { int iterate; struct line_segment *temp_lines; temp_lines = malloc(lines_master->number_of_lines*sizeof(struct line_segment)); if (!temp_lines) { fprintf(stderr,"Failure allocating list in Union function merge_lines_to_draw 3 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate = 0;iterate < lines_master->number_of_lines;iterate++) temp_lines[iterate] = lines_master->lines[iterate]; free(lines_master->lines); lines_master->lines = malloc((lines_master->number_of_lines+lines_new->number_of_lines)*sizeof(struct line_segment)); if (!lines_master->lines) { fprintf(stderr,"Failure allocating list in Union function merge_lines_to_draw 4 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate = 0;iterate < lines_master->number_of_lines;iterate++) lines_master->lines[iterate] = temp_lines[iterate]; for (iterate = 0;iterate < lines_new->number_of_lines;iterate++) lines_master->lines[iterate+lines_master->number_of_lines] = lines_new->lines[iterate]; lines_master->number_of_lines = lines_master->number_of_lines + lines_new->number_of_lines; free(temp_lines); } }; int r_has_highest_priority(Coords point,int N,struct geometry_struct **Geometries,int number_of_volumes) { // Function that test if a point in Volume N has the highest priority. // Returns 0 if another volume has higher priority at the point, and it's mask status is 1 // Returns 1 if no other volume has higher priority at the point // (not active) Returns a larger integer if the volume N is a mask, and the point is not in the volume it is masking, // which results in the drawing function making that number of dashes int mask_status,*mask_start,*mask_check; // If the volume is a mask, it does not have a priority, and is always on top if (Geometries[N]->is_mask_volume == 1) { return 1; // Can draw parts of the mask that is outside the volume it masks as dashed lines, but it just looks messy /* mask_status = 1; for (mask_check=mask_start=Geometries[N]->mask_list.elements;mask_check-mask_startmask_list.num_elements;mask_check++) { if (Geometries[*mask_check]->within_function(point,Geometries[*mask_check]) == 1) { return 1; // If the point is within a volume the mask is masking, draw it as a solid line } } // As it was not inside any of the volumes the mask is masking, draw it as a dashed line return 5; */ } // If the volume is a masked volume, check if the point is within it's masks if (Geometries[N]->is_masked_volume == 1) { if (Geometries[N]->mask_mode == 1) { // ALL mode, need to be within ALL masks for (mask_check=mask_start=Geometries[N]->masked_by_list.elements;mask_check-mask_startmasked_by_list.num_elements;mask_check++) { if (Geometries[*mask_check]->within_function(point,Geometries[*mask_check]) == 0) { return 0; // If the point is just outside one mask, the mask status is 0 and the point does not have highest priority } } } else { // ANY mode, need to be within at least one mask mask_status = 0; for (mask_check=mask_start=Geometries[N]->masked_by_list.elements;mask_check-mask_startmasked_by_list.num_elements;mask_check++) { if (Geometries[*mask_check]->within_function(point,Geometries[*mask_check]) == 1) { mask_status = 1; break; } } if (mask_status == 0) { return 0; // If it was not in a single of it's masks, the point did not have highest priority } } } int volume_index; double self_priority; self_priority = Geometries[N]->priority_value; for (volume_index = 1;volume_indexis_mask_volume == 0) { if (Geometries[volume_index]->within_function(point,Geometries[volume_index])) { if (Geometries[volume_index]->is_masked_volume == 1) { // Since this volume is masked, the mask status need to be checked if (Geometries[volume_index]->mask_mode == 1) { //ALL mode, need to be within ALL masks mask_status = 1; for (mask_check=mask_start=Geometries[volume_index]->masked_by_list.elements;mask_check-mask_startmasked_by_list.num_elements;mask_check++) { if (Geometries[*mask_check]->within_function(point,Geometries[*mask_check]) == 0) { mask_status = 0; break; } } } else { // ANY mode, need to be within at least one mask mask_status = 0; for (mask_check=mask_start=Geometries[volume_index]->masked_by_list.elements;mask_check-mask_startmasked_by_list.num_elements;mask_check++) { if (Geometries[*mask_check]->within_function(point,Geometries[*mask_check]) == 1) { mask_status = 1; break; } } } } else mask_status = 1; if (Geometries[volume_index]->priority_value > self_priority && mask_status == 1) { // printf("Volume %d did not have highest priority at (%f,%f,%f) (Volume number %d was above)\n",N,point.x,point.y,point.z,volume_index); return 0; } } } } // printf("Volume %d did have highest priority at (%f,%f,%f) \n",N,point.x,point.y,point.z); return 1; } void draw_line_positions(Coords point1,Coords point2) { //line(point1.x,point1.y,point1.z,point2.x,point2.y,point2.z); // sigh, can not use line in share. Need to save the information and pass to the mcdisplay part. } int Sample_compare_doubles (const void *a, const void *b) { const double *da = (const double *) a; const double *db = (const double *) b; return (*da > *db) - (*da < *db); } struct lines_to_draw draw_line_with_highest_priority(Coords position1,Coords position2,int N,struct geometry_struct **Geometries,int number_of_volumes,int max_number_of_solutions) { int volume_index,iterate,permanent_list_length = 0; int number_of_solutions; double *temp_intersection=malloc(max_number_of_solutions*sizeof(double)); if (!temp_intersection) { fprintf(stderr,"Failure allocating list in Union function lines_to_draw 1 - Exit!\n"); exit(EXIT_FAILURE); } double r1[3],r2[3],direction[3]; struct pointer_to_1d_double_list intersection_list; intersection_list.num_elements = 0; // double *permanent_intersection_list,*storage; // old ways r1[0] = position1.x; r1[1] = position1.y; r1[2] = position1.z; r2[0] = position2.x; r2[1] = position2.y; r2[2] = position2.z; // printf("r1 = (%f,%f,%f) \n",r1[0],r1[1],r1[2]); // printf("r2 = (%f,%f,%f) \n",r2[0],r2[1],r2[2]); direction[0] = r2[0] - r1[0]; direction[1] = r2[1] - r1[1]; direction[2] = r2[2] - r1[2]; int geometry_output; // Todo: switch to nicer intersect function call double *double_dummy = malloc(max_number_of_solutions*sizeof(double)); int *int_dummy = malloc(max_number_of_solutions*sizeof(int)); // We need a storing pointer for the reallocs, to ensure that on realloc fail // All is handled correctly double *tmp; int *tmpint; // Find intersections for (volume_index = 1;volume_index < number_of_volumes; volume_index++) { if (volume_index != N) { if (Geometries[volume_index]->eShape==mesh){ tmp = realloc(double_dummy, sizeof(double)*1000); tmpint = realloc(int_dummy, sizeof(double)*1000); if ( tmp==NULL || tmpint==NULL ) { free(tmp); free(tmpint); printf("\nERROR: Realloc failed on double dummy"); exit(1); } else { double_dummy = tmp; int_dummy = tmpint; tmp = realloc(temp_intersection, sizeof(double)*1000); if ( tmp == NULL){ free(tmp); printf("\nERROR: Realloc failed on temp intersection"); exit(1); } else{ temp_intersection = tmp;} } } geometry_output = Geometries[volume_index]->intersect_function(temp_intersection, double_dummy, double_dummy, double_dummy, int_dummy, &number_of_solutions, r1, direction, Geometries[volume_index]); for (iterate=0;iterate 0 && temp_intersection[iterate] < 1) { add_element_to_double_list(&intersection_list,temp_intersection[iterate]); } } } } free(double_dummy); free(temp_intersection); // Now we have a list of intersection distances between r1 and r2 and all volumes. // This list needs to be sorted before we continue! qsort(intersection_list.elements,intersection_list.num_elements,sizeof (double), Sample_compare_doubles); Coords *points=malloc((intersection_list.num_elements+2)*sizeof(Coords)); if (!points) { fprintf(stderr,"Failure allocating list in Union function lines_to_draw 2 - Exit!\n"); exit(EXIT_FAILURE); } points[0] = coords_set(r1[0],r1[1],r1[2]); points[intersection_list.num_elements+1] = coords_set(r2[0],r2[1],r2[2]); for (iterate = 1;iterate < intersection_list.num_elements+1;iterate++) { points[iterate].x = r1[0] + direction[0]*intersection_list.elements[iterate-1]; points[iterate].y = r1[1] + direction[1]*intersection_list.elements[iterate-1]; points[iterate].z = r1[2] + direction[2]*intersection_list.elements[iterate-1]; } struct line_segment *lines=malloc((intersection_list.num_elements+1)*sizeof(struct line_segment)); if (!lines) { fprintf(stderr,"Failure allocating list in Union function lines_to_draw 3 - Exit!\n"); exit(EXIT_FAILURE); } int *draw_logic=malloc((intersection_list.num_elements+1)*sizeof(int)); if (!draw_logic) { fprintf(stderr,"Failure allocating list in Union function lines_to_draw 4 - Exit!\n"); exit(EXIT_FAILURE); } Coords midpoint; struct lines_to_draw draw_order; draw_order.number_of_lines = 0; draw_order.lines=NULL; int number_of_dashes; for (iterate = 0;iterate < intersection_list.num_elements + 1;iterate++) { lines[iterate].point1 = points[iterate]; lines[iterate].point2 = points[iterate+1]; midpoint.x = 0.5*(lines[iterate].point1.x + lines[iterate].point2.x); midpoint.y = 0.5*(lines[iterate].point1.y + lines[iterate].point2.y); midpoint.z = 0.5*(lines[iterate].point1.z + lines[iterate].point2.z); if ((number_of_dashes = r_has_highest_priority(midpoint,N,Geometries,number_of_volumes)) != 0) { draw_order.number_of_lines++; draw_logic[iterate] = number_of_dashes; } else draw_logic[iterate] = 0; } if (draw_order.number_of_lines > 0) { draw_order.lines = malloc(draw_order.number_of_lines*sizeof(struct line_segment)); if (!draw_order.lines) { fprintf(stderr,"Failure allocating list in Union function lines_to_draw 5 - Exit!\n"); exit(EXIT_FAILURE); } draw_order.number_of_lines = 0; for (iterate = 0;iterate < intersection_list.num_elements + 1;iterate++) { if (draw_logic[iterate] != 0) { lines[iterate].number_of_dashes = draw_logic[iterate]; draw_order.lines[draw_order.number_of_lines++] = lines[iterate]; } } if (intersection_list.num_elements > 0) free(intersection_list.elements); } free(points); free(lines); free(draw_logic); return draw_order; } struct lines_to_draw draw_circle_with_highest_priority(Coords center,Coords vector,double radius,int N,struct geometry_struct **Geometries,int number_of_volumes,int max_number_of_solutions) { int number_of_positions = 100; // normalize vector double vector_length = length_of_position_vector(vector); // print_position(vector,"start vector"); vector.x /= vector_length; vector.y /= vector_length; vector.z /= vector_length; // print_position(vector,"start vector normalized"); // Create a vector from the center of the circle to a point on the circumference by cross product double cross_input[3] = {0,1,0}; // In case the cross input is parallel with the vector, a new is chosen. Both can't be parallel. if (scalar_prod(cross_input[0],cross_input[1],cross_input[2],vector.x,vector.y,vector.z) > 0.99) { cross_input[0] = 1; cross_input[1] = 0; cross_input[2] = 0; } // print_position(make_position(cross_input),"cross input"); double cross_product1[3] = {0,0,0}; vec_prod(cross_product1[0],cross_product1[1],cross_product1[2],vector.x,vector.y,vector.z,cross_input[0],cross_input[1],cross_input[2]); // print_position(make_position(cross_product1),"cross_product1"); double cross_length = length_of_3vector(cross_product1); // printf("cross_length = %f \n",cross_length); cross_product1[0] /= cross_length; cross_product1[1] /= cross_length; cross_product1[2] /= cross_length; cross_product1[0] *= radius; cross_product1[1] *= radius; cross_product1[2] *= radius; // printf("cross_product1 = (%f,%f,%f) \n",cross_product1[0],cross_product1[1],cross_product1[2]); int iterate; double rotate_angle; Coords radial_position,old_radial_position; struct lines_to_draw temp_draw_order,return_draw_order; return_draw_order.number_of_lines = 0; // Generate an array of positions by rotating this vector around the given vector, this corresponds to points on the circle old_radial_position.x = center.x + cross_product1[0]; old_radial_position.y = center.y + cross_product1[1]; old_radial_position.z = center.z + cross_product1[2]; // printf("old_radial_position = (%f,%f,%f) \n",old_radial_position.x,old_radial_position.y,old_radial_position.z); for (iterate = 0;iterate < number_of_positions-1;iterate++) { rotate_angle = 2*3.14159*((double) iterate + 1.0)/((double) number_of_positions); rotate(radial_position.x,radial_position.y,radial_position.z,cross_product1[0],cross_product1[1],cross_product1[2],rotate_angle,vector.x,vector.y,vector.z); radial_position.x += center.x; radial_position.y += center.y; radial_position.z += center.z; // Use the draw_lines_with_highest_priority to draw get draw_orders for each line piece temp_draw_order = draw_line_with_highest_priority(radial_position,old_radial_position,N,Geometries,number_of_volumes,max_number_of_solutions); // Assemble these draw_orders to one large draw order merge_lines_to_draw(&return_draw_order,&temp_draw_order); old_radial_position.x = radial_position.x; old_radial_position.y = radial_position.y; old_radial_position.z = radial_position.z; } radial_position.x = center.x + cross_product1[0]; radial_position.y = center.y + cross_product1[1]; radial_position.z = center.z + cross_product1[2]; // Use the draw_lines_with_highest_priority to draw get draw_orders for each line piece temp_draw_order = draw_line_with_highest_priority(radial_position,old_radial_position,N,Geometries,number_of_volumes,max_number_of_solutions); // Assemble these draw_orders to one large draw order merge_lines_to_draw(&return_draw_order,&temp_draw_order); // clean up if (temp_draw_order.number_of_lines > 0) free(temp_draw_order.lines); // return the large draw order. return return_draw_order; } // ------------- Geometry functions ----------------------------------------------------------------------- /* * This file section contains functions used for geometry. * * For each geometry A type there are: * intersection function: determines intersection between straight line and the geometry type * within function: determines wether a point is within the geometry, or outside * geometryA_overlaps_geometryB: determines if geometry A overlaps with geometry B * geometryA_inside_geometryB: determines if geometry A is completely inside geometry B * * At the end of the file, there is functions describing the logic for determining if one geometry * is inside/overlaps another. It is placed here, so that all code to be expanded by adding a new * geometry is within the same file. * * To add a new geometry one needs to: * Write a geometry_storage_struct that contains the paramters needed to describe the geometry * Add a pointer to this storage type in the geometry_parameter_union * Write a function for intersection with line, using the same input scheme as for the others * Write a function checking if a point is within the geometry * Write a function checking if one instance of the geometry overlaps with another * Write a function checking if one instance of the geometry is inside another * For each exsisting geometry: * Write a function checking if an instance of this geometry overlaps with an instance of the exsisting * Write a function checking if an instance of this geometry is inside an instance of the exsisting * Write a function checking if an instance of an existing geometry is inside an instance of this geometry * * Add these functions to geometry to the logic at the end of this file * Write a component file similar to the exsisting ones, taking the input from the instrument file, and sending * it on to the master component. */ struct sphere_storage{ double sph_radius; }; struct cylinder_storage{ double cyl_radius; double height; Coords direction_vector; }; struct box_storage{ double x_width1; double y_height1; double z_depth; double x_width2; double y_height2; int is_rectangle; // Is rectangle = 1 if x_width1 = x_width2 / h1 = h2 Coords x_vector; // In main component frame Coords y_vector; Coords z_vector; Coords normal_vectors[6]; // In local frame }; struct cone_storage{ double cone_radius_top; double cone_radius_bottom; double height; Coords direction_vector; }; struct mesh_storage{ int n_facets; int counter; double *v1_x; double *v1_y; double *v1_z; double *v2_x; double *v2_y; double *v2_z; double *v3_x; double *v3_y; double *v3_z; double *normal_x; double *normal_y; double *normal_z; Coords direction_vector; Coords Bounding_Box_Center; double Bounding_Box_Radius; }; // A number of functions below use Dot() as scalar product, replace by coords_sp define #define Dot(a, b) coords_sp(a, b) // Function for transforming a ray position / velocity to a local frame Coords transform_position(Coords ray_position, Coords component_position, Rotation component_t_rotation) { Coords non_rotated_position = coords_sub(ray_position,component_position); // Rotate the position of the neutron around the center of the cylinder Coords rotated_coordinates = rot_apply(component_t_rotation,non_rotated_position); return rotated_coordinates; } union geometry_parameter_union allocate_box_storage_copy(union geometry_parameter_union *union_input) { union geometry_parameter_union union_output; // Allocate the space for a cylinder_storage structe in the new union_output (union as the c structre) union_output.p_box_storage = malloc(sizeof(struct box_storage)); if (!union_output.p_box_storage) { fprintf(stderr,"Failure allocating list in Union function allocate_box_storage_copy - Exit!\n"); exit(EXIT_FAILURE); } // Copy the input storage to the output *union_output.p_box_storage = *union_input->p_box_storage; return union_output; } union geometry_parameter_union allocate_cylinder_storage_copy(union geometry_parameter_union *union_input) { union geometry_parameter_union union_output; // Allocate the space for a cylinder_storage structe in the new union_output (union as the c structre) union_output.p_cylinder_storage = malloc(sizeof(struct cylinder_storage)); if (!union_output.p_cylinder_storage) { fprintf(stderr,"Failure allocating list in Union function allocate_cylinder_storage_copy - Exit!\n"); exit(EXIT_FAILURE); } // Copy the input storage to the output *union_output.p_cylinder_storage = *union_input->p_cylinder_storage; return union_output; } union geometry_parameter_union allocate_sphere_storage_copy(union geometry_parameter_union *union_input) { union geometry_parameter_union union_output; // Allocate the space for a cylinder_storage structe in the new union_output (union as the c structre) union_output.p_sphere_storage = malloc(sizeof(struct sphere_storage)); if (!union_output.p_sphere_storage) { fprintf(stderr,"Failure allocating list in Union function allocate_sphere_storage_copy - Exit!\n"); exit(EXIT_FAILURE); } // Copy the input storage to the output *union_output.p_sphere_storage = *union_input->p_sphere_storage; return union_output; } union geometry_parameter_union allocate_cone_storage_copy(union geometry_parameter_union *union_input) { union geometry_parameter_union union_output; // Allocate the space for a cone_storage structe in the new union_output (union as the c structre) union_output.p_cone_storage = malloc(sizeof(struct cone_storage)); if (!union_output.p_cone_storage) { fprintf(stderr,"Failure allocating list in Union function allocate_cone_storage_copy - Exit!\n"); exit(EXIT_FAILURE); } // Copy the input storage to the output *union_output.p_cone_storage = *union_input->p_cone_storage; return union_output; } union geometry_parameter_union allocate_mesh_storage_copy(union geometry_parameter_union *union_input) { union geometry_parameter_union union_output; // Allocate the space for a mesh_storage structe in the new union_output (union as the c structre) union_output.p_mesh_storage = malloc(sizeof(struct mesh_storage)); if (!union_output.p_mesh_storage) { fprintf(stderr,"Failure allocating list in Union function allocate_mesh_storage_copy - Exit!\n"); exit(EXIT_FAILURE); } // Copy the input storage to the output *union_output.p_mesh_storage = *union_input->p_mesh_storage; return union_output; } // ------------- Surroundings --------------------------------------------------------------- int r_within_surroundings(Coords pos,struct geometry_struct *geometry) { // The surroundings are EVERYWHERE return 1; } // ------------- General geometry ------------------------------------------------------------ Coords point_on_circle(Coords center, Coords direction, double radius, int point_nr, int number_of_points) { Coords output; Coords cross_input = coords_set(0,1,0); if (scalar_prod(cross_input.x,cross_input.y,cross_input.z,direction.x,direction.y,direction.z) > 0.9) { cross_input.x = 1; cross_input.y = 0; cross_input.z = 0; } Coords cross_product; vec_prod(cross_product.x,cross_product.y,cross_product.z,direction.x,direction.y,direction.z,cross_input.x,cross_input.y,cross_input.z); double cross_length = length_of_position_vector(cross_product); double radius_over_cross_length = radius/cross_length; cross_product = coords_scalar_mult(cross_product,radius_over_cross_length); double rotate_angle = 2*PI*((double) point_nr)/((double) number_of_points); rotate(output.x,output.y,output.z,cross_product.x,cross_product.y,cross_product.z,rotate_angle,direction.x,direction.y,direction.z); output = coords_add(output,center); return output; }; void points_on_circle(Coords *output, Coords center, Coords direction, double radius, int number_of_points) { Coords cross_input = coords_set(0,1,0); if (scalar_prod(cross_input.x,cross_input.y,cross_input.z,direction.x,direction.y,direction.z) > 0.9) { cross_input.x = 1; cross_input.y = 0; cross_input.z = 0; } Coords cross_product; vec_prod(cross_product.x,cross_product.y,cross_product.z,direction.x,direction.y,direction.z,cross_input.x,cross_input.y,cross_input.z); double cross_length = length_of_position_vector(cross_product); double radius_over_cross_length = radius/cross_length; cross_product = coords_scalar_mult(cross_product,radius_over_cross_length); int point_nr; double rotate_angle; for (point_nr = 0;point_nrwithin_function(child->center,parent) == 0) return 0; // resolution selects the number of points to be generated on the shell. struct pointer_to_1d_coords_list shell_points; shell_points = child->shell_points(child,resolution); // Shell_points.elements need to be freed before leaving this function if (shell_points.num_elements > resolution || shell_points.num_elements < 0) { printf("\nERROR: Shell point function used in A_within_B return garbage num_elements. \n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iteratewithin_function(shell_points.elements[iterate],parent) == 0) { free(shell_points.elements); return 0; } } free(shell_points.elements); // If all points are inside, the entire geometry is assumed inside as parent should be convex return 1; } int mesh_A_within_B(struct geometry_struct *child, struct geometry_struct *parent) { // This function assumes the parent (B) is a convex geoemtry // If all points on the shell of geometry A is within B, so are all lines between them. // This is modified so resolution is not set manually, but all mesh shell points are taken // resolution selects the number of points to be generated on the shell. struct pointer_to_1d_coords_list shell_points; int resolution = 300; shell_points = child->shell_points(child, resolution); // mesh shell points do not use max points // Shell_points.elements need to be freed before leaving this function //printf("\n GOT OUT TEST"); int iterate; for (iterate=0;iteratewithin_function(shell_points.elements[iterate],parent) == 0) { free(shell_points.elements); return 0; } } // If all points are inside, the entire geometry is assumed inside as parent should be convex free(shell_points.elements); return 1; } /* // Turned out to be harder to generalize the overlap functions, but at least within was doable. int A_overlaps_B(struct geometry_struct *child, struct geometry_struct *parent) { // This function assumes the parent (B) is a convex geoemtry // Does not work, need to check lines between points // Starting this system with a simple constant 64 point generation. struct pointer_to_1d_coords_list shell_points; shell_points = child.shell_points(child,64); int iterate; for (iterate=0;iterategeometry_parameters.p_box_storage->z_depth; double width1 = geometry->geometry_parameters.p_box_storage->x_width1; double width2 = geometry->geometry_parameters.p_box_storage->x_width2; double height1 = geometry->geometry_parameters.p_box_storage->y_height1; double height2 = geometry->geometry_parameters.p_box_storage->y_height2; Coords x_vector = geometry->geometry_parameters.p_box_storage->x_vector; Coords y_vector = geometry->geometry_parameters.p_box_storage->y_vector; Coords z_vector = geometry->geometry_parameters.p_box_storage->z_vector; Coords normal_vectors; // Declare variables for the function Coords coordinates; // Coordinate transformation coordinates.x = r[0] - geometry->center.x; coordinates.y = r[1] - geometry->center.y; coordinates.z = r[2] - geometry->center.z; Coords rotated_coordinates; // Rotate the position of the neutron around the center of the cylinder rotated_coordinates = rot_apply(geometry->transpose_rotation_matrix,coordinates); Coords velocity = coords_set(v[0],v[1],v[2]); Coords rotated_velocity; // Rotate the position of the neutron around the center of the cylinder rotated_velocity = rot_apply(geometry->transpose_rotation_matrix,velocity); double x_result,y_result,z_result; *num_solutions = 0; // normal_vectors 0 and 1 have x and y = 0; // normal vectors 0: point in plane [0 0 -0.5*depth] normal_vectors = geometry->geometry_parameters.p_box_storage->normal_vectors[0]; t[*num_solutions] = (-0.5*depth - rotated_coordinates.z)*normal_vectors.z/(normal_vectors.z*rotated_velocity.z); //printf("Intersection_time for face 0 = %f\n",t[*num_solutions]); x_result = rotated_coordinates.x + t[*num_solutions]*rotated_velocity.x; y_result = rotated_coordinates.y + t[*num_solutions]*rotated_velocity.y; z_result = rotated_coordinates.z + t[*num_solutions]*rotated_velocity.z; // only for debug //printf("Test solution for face number 0: (x,y) = (%f,%f,%f)\n",x_result,y_result,z_result); if (x_result >= -0.5*width1 && x_result <= 0.5*width1 && y_result >= -0.5*height1 && y_result <= 0.5*height1) { nx[*num_solutions] = normal_vectors.x; ny[*num_solutions] = normal_vectors.y; nz[*num_solutions] = -normal_vectors.z; surface_index[*num_solutions] = 0; (*num_solutions)++; //printf("Solution found for face number 0\n"); } // normal vectors 1: point in plane [0 0 0.5*depth] normal_vectors = geometry->geometry_parameters.p_box_storage->normal_vectors[1]; t[*num_solutions] = (0.5*depth - rotated_coordinates.z)*normal_vectors.z/(normal_vectors.z*rotated_velocity.z); //printf("Intersection_time for face 1 = %f\n",t[*num_solutions]); x_result = rotated_coordinates.x + t[*num_solutions]*rotated_velocity.x; y_result = rotated_coordinates.y + t[*num_solutions]*rotated_velocity.y; //z_result = rotated_coordinates.z + t[*num_solutions]*rotated_velocity.z; // only for debug //printf("Test solution for face number 1: (x,y) = (%f,%f,%f)\n",x_result,y_result,z_result); if (x_result >= -0.5*width2 && x_result <= 0.5*width2 && y_result >= -0.5*height2 && y_result <= 0.5*height2) { nx[*num_solutions] = normal_vectors.x; ny[*num_solutions] = normal_vectors.y; nz[*num_solutions] = normal_vectors.z; surface_index[*num_solutions] = 1; (*num_solutions)++; //printf("Solution found for face number 1\n"); } // These were done first as they are fastest, and most likely to be the solutions (normal to do small depth and large width/height), and standard orientation is to have one of these faces towards the source. When the fastest and most likely are done first, there is larger chance to skip more and slower calculations if (*num_solutions != 2) { // normal vectors 2 and 3 have y = 0 normal_vectors = geometry->geometry_parameters.p_box_storage->normal_vectors[2]; t[*num_solutions] = ((0.5*width1 - rotated_coordinates.x)*normal_vectors.x + (-0.5*depth - rotated_coordinates.z)*normal_vectors.z)/(normal_vectors.x*rotated_velocity.x+normal_vectors.z*rotated_velocity.z); // x_result = rotated_coordinates.x + t[*num_solutions]*rotated_velocity.x; y_result = rotated_coordinates.y + t[*num_solutions]*rotated_velocity.y; z_result = rotated_coordinates.z + t[*num_solutions]*rotated_velocity.z; if (z_result > -0.5*depth && z_result < 0.5*depth && y_result >= -0.5*(height1+(height2-height1)*(0.5*depth+z_result)/depth) && y_result < 0.5*(height1+(height2-height1)*(0.5*depth+z_result)/depth)) { nx[*num_solutions] = normal_vectors.x; ny[*num_solutions] = normal_vectors.y; nz[*num_solutions] = normal_vectors.z; surface_index[*num_solutions] = 2; (*num_solutions)++; //printf("Solution found for face number 2\n"); } } if (*num_solutions != 2) { // normal vectors 2 and 3 have y = 0 normal_vectors = geometry->geometry_parameters.p_box_storage->normal_vectors[3]; t[*num_solutions] = ((-0.5*width1 - rotated_coordinates.x)*normal_vectors.x + (-0.5*depth - rotated_coordinates.z)*normal_vectors.z)/(normal_vectors.x*rotated_velocity.x+normal_vectors.z*rotated_velocity.z); // x_result = rotated_coordinates.x + t[*num_solutions]*rotated_velocity.x; y_result = rotated_coordinates.y + t[*num_solutions]*rotated_velocity.y; z_result = rotated_coordinates.z + t[*num_solutions]*rotated_velocity.z; if (z_result > -0.5*depth && z_result < 0.5*depth && y_result > -0.5*(height1+(height2-height1)*(0.5*depth+z_result)/depth) && y_result <= 0.5*(height1+(height2-height1)*(0.5*depth+z_result)/depth)) { nx[*num_solutions] = normal_vectors.x; ny[*num_solutions] = normal_vectors.y; nz[*num_solutions] = normal_vectors.z; surface_index[*num_solutions] = 3; (*num_solutions)++; //printf("Solution found for face number 3\n"); } } if (*num_solutions != 2) { // normal vectors 4 and 5 have x = 0 normal_vectors = geometry->geometry_parameters.p_box_storage->normal_vectors[4]; t[*num_solutions] = ((0.5*height1 - rotated_coordinates.y)*normal_vectors.y + (-0.5*depth - rotated_coordinates.z)*normal_vectors.z)/(normal_vectors.y*rotated_velocity.y+normal_vectors.z*rotated_velocity.z); x_result = rotated_coordinates.x + t[*num_solutions]*rotated_velocity.x; //y_result = rotated_coordinates.y + t[*num_solutions]*rotated_velocity.y; z_result = rotated_coordinates.z + t[*num_solutions]*rotated_velocity.z; if (z_result > -0.5*depth && z_result < 0.5*depth && x_result >= -0.5*(width1+(width2-width1)*(0.5*depth+z_result)/depth) && x_result < 0.5*(width1+(width2-width1)*(0.5*depth+z_result)/depth)) { nx[*num_solutions] = normal_vectors.x; ny[*num_solutions] = normal_vectors.y; nz[*num_solutions] = normal_vectors.z; surface_index[*num_solutions] = 4; (*num_solutions)++; //printf("Solution found for face number 4\n"); } } if (*num_solutions != 2) { // normal vectors 4 and 5 have x = 0 normal_vectors = geometry->geometry_parameters.p_box_storage->normal_vectors[5]; t[*num_solutions] = ((-0.5*height1 - rotated_coordinates.y)*normal_vectors.y + (-0.5*depth - rotated_coordinates.z)*normal_vectors.z)/(normal_vectors.y*rotated_velocity.y+normal_vectors.z*rotated_velocity.z); x_result = rotated_coordinates.x + t[*num_solutions]*rotated_velocity.x; //y_result = rotated_coordinates.y + t[*num_solutions]*rotated_velocity.y; z_result = rotated_coordinates.z + t[*num_solutions]*rotated_velocity.z; if (z_result > -0.5*depth && z_result < 0.5*depth && x_result > -0.5*(width1+(width2-width1)*(0.5*depth+z_result)/depth) && x_result <= 0.5*(width1+(width2-width1)*(0.5*depth+z_result)/depth)) { nx[*num_solutions] = normal_vectors.x; ny[*num_solutions] = normal_vectors.y; nz[*num_solutions] = normal_vectors.z; surface_index[*num_solutions] = 5; (*num_solutions)++; //printf("Solution found for face number 5\n"); } } Coords normal_vector_rotated; Coords normal_vector; // Sort solution according to intersection time and rotate normal vectors to master coordinate system switch(*num_solutions) { case 2: if (t[0] > t[1]) { double temp = t[1]; t[1] = t[0]; t[0] = temp; // Also switch the normal vectors temp = nx[1]; nx[1] = nx[0]; nx[0] = temp; temp = ny[1]; ny[1] = ny[0]; ny[0] = temp; temp = nz[1]; nz[1] = nz[0]; nz[0] = temp; // Switch surface_index int temp_int = surface_index[1]; surface_index[1] = surface_index[0]; surface_index[0] = temp_int; } // Rotate back to master coordinate system normal_vector_rotated = coords_set(nx[0], ny[0], nz[0]); normal_vector = rot_apply(geometry->rotation_matrix, normal_vector_rotated); nx[0] = normal_vector.x; ny[0] = normal_vector.y; nz[0] = normal_vector.z; normal_vector_rotated = coords_set(nx[1], ny[1], nz[1]); normal_vector = rot_apply(geometry->rotation_matrix, normal_vector_rotated); nx[1] = normal_vector.x; ny[1] = normal_vector.y; nz[1] = normal_vector.z; return 1; case 1: t[1] = -1; // Rotate back to master coordinate system normal_vector_rotated = coords_set(nx[0], ny[0], nz[0]); normal_vector = rot_apply(geometry->rotation_matrix, normal_vector_rotated); nx[0] = normal_vector.x; ny[0] = normal_vector.y; nz[0] = normal_vector.z; return 1; case 0: t[0] = -1; t[1] = -1; return 0; } // Above switch will catch all solutions, but the return 0 here silences a compiler warning. return 0; }; void box_corners_global_frame(Coords *corner_points, struct geometry_struct *geometry) { // Returns a pointer to an array containing the 8 positions of the corners of the box. double depth = geometry->geometry_parameters.p_box_storage->z_depth; double width1 = geometry->geometry_parameters.p_box_storage->x_width1; double width2 = geometry->geometry_parameters.p_box_storage->x_width2; double height1 = geometry->geometry_parameters.p_box_storage->y_height1; double height2 = geometry->geometry_parameters.p_box_storage->y_height2; Coords x_vector = geometry->geometry_parameters.p_box_storage->x_vector; Coords y_vector = geometry->geometry_parameters.p_box_storage->y_vector; Coords z_vector = geometry->geometry_parameters.p_box_storage->z_vector; Coords center = geometry->center; corner_points[0] = coords_add(coords_add(coords_add(center,coords_scalar_mult(z_vector,-0.5*depth)),coords_scalar_mult(x_vector,-0.5*width1)),coords_scalar_mult(y_vector,-0.5*height1)); corner_points[1] = coords_add(corner_points[0],coords_scalar_mult(x_vector,width1)); corner_points[2] = coords_add(corner_points[1],coords_scalar_mult(y_vector,height1)); corner_points[3] = coords_add(corner_points[0],coords_scalar_mult(y_vector,height1)); corner_points[4] = coords_add(coords_add(coords_add(center,coords_scalar_mult(z_vector,0.5*depth)),coords_scalar_mult(x_vector,-0.5*width2)),coords_scalar_mult(y_vector,-0.5*height2)); corner_points[5] = coords_add(corner_points[4],coords_scalar_mult(x_vector,width2)); corner_points[6] = coords_add(corner_points[5],coords_scalar_mult(y_vector,height2)); corner_points[7] = coords_add(corner_points[4],coords_scalar_mult(y_vector,height2)); }; void box_corners_local_frame(Coords *corner_points, struct geometry_struct *geometry) { double depth = geometry->geometry_parameters.p_box_storage->z_depth; double width1 = geometry->geometry_parameters.p_box_storage->x_width1; double width2 = geometry->geometry_parameters.p_box_storage->x_width2; double height1 = geometry->geometry_parameters.p_box_storage->y_height1; double height2 = geometry->geometry_parameters.p_box_storage->y_height2; Coords center = geometry->center; Coords x_vector = coords_set(1,0,0); Coords y_vector = coords_set(0,1,0); Coords z_vector = coords_set(0,0,1); Coords origo = coords_set(0,0,0); // Bug fixed on 25/11, center was used instead of origo corner_points[0] = coords_add(coords_add(coords_add(origo,coords_scalar_mult(z_vector,-0.5*depth)),coords_scalar_mult(x_vector,-0.5*width1)),coords_scalar_mult(y_vector,-0.5*height1)); corner_points[1] = coords_add(corner_points[0],coords_scalar_mult(x_vector,width1)); corner_points[2] = coords_add(corner_points[1],coords_scalar_mult(y_vector,height1)); corner_points[3] = coords_add(corner_points[0],coords_scalar_mult(y_vector,height1)); corner_points[4] = coords_add(coords_add(coords_add(origo,coords_scalar_mult(z_vector,0.5*depth)),coords_scalar_mult(x_vector,-0.5*width2)),coords_scalar_mult(y_vector,-0.5*height2)); corner_points[5] = coords_add(corner_points[4],coords_scalar_mult(x_vector,width2)); corner_points[6] = coords_add(corner_points[5],coords_scalar_mult(y_vector,height2)); corner_points[7] = coords_add(corner_points[4],coords_scalar_mult(y_vector,height2)); }; int sample_box_intersect_simple(double *t, double *nx, double *ny, double *nz, int *surface_index, int *num_solutions, double *r, double *v, struct geometry_struct *geometry) { double width = geometry->geometry_parameters.p_box_storage->x_width1; double height = geometry->geometry_parameters.p_box_storage->y_height1; double depth = geometry->geometry_parameters.p_box_storage->z_depth; // Declare variables for the function double x_new,y_new,z_new; // Coordinate transformation x_new = r[0] - geometry->center.x; y_new = r[1] - geometry->center.y; z_new = r[2] - geometry->center.z; Coords coordinates = coords_set(x_new,y_new,z_new); Coords rotated_coordinates; //printf("Cords coordinates = (%f,%f,%f)\n",coordinates.x,coordinates.y,coordinates.z); // Rotate the position of the neutron around the center of the cylinder rotated_coordinates = rot_apply(geometry->transpose_rotation_matrix,coordinates); // rotated_coordinates = rot_apply(rotation_matrix_debug,coordinates); //printf("Cords rotated_coordinates = (%f,%f,%f)\n",rotated_coordinates.x,rotated_coordinates.y,rotated_coordinates.z); Coords velocity = coords_set(v[0],v[1],v[2]); Coords rotated_velocity; //printf("Cords velocity = (%f,%f,%f)\n",velocity.x,velocity.y,velocity.z); // Rotate the position of the neutron around the center of the cylinder rotated_velocity = rot_apply(geometry->transpose_rotation_matrix,velocity); // rotated_velocity = rot_apply(rotation_matrix_debug,velocity); //printf("Cords rotated_velocity = (%f,%f,%f)\n",rotated_velocity.x,rotated_velocity.y,rotated_velocity.z); int output = 0; // Run McStas built in box intersect funtion (box centered around origin) if ((output = box_intersect(&t[0],&t[1],rotated_coordinates.x,rotated_coordinates.y,rotated_coordinates.z,rotated_velocity.x,rotated_velocity.y,rotated_velocity.z,width,height,depth)) == 0) { *num_solutions = 0;t[0]=-1;t[1]=-1; } else if (t[1] != 0) *num_solutions = 2; else {*num_solutions = 1;t[1]=-1;} // t[2] is a memory error! // Rewritten code from refractor.comp int index; double x, y, z, dt; double rotated_nx, rotated_ny, rotated_nz; Coords normal_vector_rotated; Coords normal_vector; for (index=0; index<*num_solutions; index++) { dt = t[index]; // Intersection point in box coordinate system x = rotated_coordinates.x + dt*rotated_velocity.x; y = rotated_coordinates.y + dt*rotated_velocity.y; z = rotated_coordinates.z + dt*rotated_velocity.z; // determine hit face: difference to plane is closest to 0 (in box coordinate system) // A deviation of 0 means its on that surface, due to finite accuracy it will never be exact, so the closest is chosen double x_deviation = fabs(fabs(x/width) - 0.5); double y_deviation = fabs(fabs(y/height) - 0.5); double z_deviation = fabs(fabs(z/depth) - 0.5); if (x_deviation <= y_deviation && x_deviation <= z_deviation) { normal_vector_rotated = coords_set(x > 0 ? 1.0 : -1.0, 0.0, 0.0); } else if (y_deviation <= x_deviation && y_deviation <= z_deviation) { normal_vector_rotated = coords_set(0.0, y > 0 ? 1.0 : -1.0, 0.0); } else { normal_vector_rotated = coords_set(0.0, 0.0, z > 0 ? 1.0 : -1.0); } // Set surface index if (normal_vector_rotated.z < -0.5) // back surface_index[index] = 0; else if(normal_vector_rotated.z > 0.5) // front surface_index[index] = 1; else if(normal_vector_rotated.x > 0.5) // left surface_index[index] = 2; else if(normal_vector_rotated.x < -0.5) // right surface_index[index] = 3; else if(normal_vector_rotated.y > 0.5) // top surface_index[index] = 4; else if(normal_vector_rotated.y < -0.5) // bottom surface_index[index] = 5; // Rotate back to master coordinate system normal_vector = rot_apply(geometry->rotation_matrix, normal_vector_rotated); // Set the normal vector components nx[index] = normal_vector.x; ny[index] = normal_vector.y; nz[index] = normal_vector.z; NORM(nx[index], ny[index], nz[index]); } return output; }; int r_within_box_simple(Coords pos,struct geometry_struct *geometry) { // Unpack parameters double width = geometry->geometry_parameters.p_box_storage->x_width1; double height = geometry->geometry_parameters.p_box_storage->y_height1; double depth = geometry->geometry_parameters.p_box_storage->z_depth; //Coords coordinates = coords_set(x_new,y_new,z_new); Coords coordinates = coords_sub(pos,geometry->center); Coords rotated_coordinates; // printf("Cords coordinates = (%f,%f,%f)\n",coordinates.x,coordinates.y,coordinates.z); // Rotate the position of the neutron around the center of the cylinder rotated_coordinates = rot_apply(geometry->transpose_rotation_matrix,coordinates); // May be faster to check for one at a time to get an early return 0 return (rotated_coordinates.x > -0.5*width && rotated_coordinates.x < 0.5*width && rotated_coordinates.y > -0.5*height && rotated_coordinates.y < 0.5*height && rotated_coordinates.z > -0.5*depth && rotated_coordinates.z < 0.5*depth); }; int r_within_cone(Coords pos,struct geometry_struct *geometry) { // Is point inside cone? // Unpack parameters double radius_top = geometry->geometry_parameters.p_cone_storage->cone_radius_top; double radius_bottom = geometry->geometry_parameters.p_cone_storage->cone_radius_bottom; double height = geometry->geometry_parameters.p_cone_storage->height; Coords center = geometry->center; double x_new,y_new,z_new; // Coordinate transformation x_new = pos.x - geometry->center.x; y_new = pos.y - geometry->center.y; z_new = pos.z - geometry->center.z; Coords coordinates = coords_set(x_new,y_new,z_new); Coords rotated_coordinates; rotated_coordinates = rot_apply(geometry->transpose_rotation_matrix,coordinates); int verbal = 0; // Generate unit direction vector along center axis of cones // Start with vector that points along the cone in the simple frame, and rotate to global Coords simple_vector = coords_set(0,1,0); int inside = 1; if (height*0.5 < fabs(rotated_coordinates.y)) { if (verbal == 1) printf("point sticks out height wise \n"); inside = 0; } else { // Test for separation radially // if (rSum − |Delta − Dot(W0,Delta)∗W0| < 0) seperated = 1; // double vector_between_cone_axis[3]; // vector_between_cone_axis[0] = delta.x - scalar_prod1*vector1.x; // vector_between_cone_axis[1] = delta.y - scalar_prod1*vector1.y; // vector_between_cone_axis[2] = delta.z - scalar_prod1*vector1.z; Coords vector1 = coords_sub(rotated_coordinates,center); //printf("\nrotated coordinates = [%f,%f,%f]",rotated_coordinates.x,rotated_coordinates.y,rotated_coordinates.z); // Calculate radius at the y height of the tested point double cone_slope = (radius_top-radius_bottom)/height; double radius_pos = radius_bottom + cone_slope * (rotated_coordinates.y + (height/2.0)); // Here delta.y is used. Make sure that y is in the height direction of cone... //printf("\nradius_pos = %f",radius_pos); //printf("\nradius_pos distance = %f",sqrt(rotated_coordinates.x*rotated_coordinates.x+rotated_coordinates.z*rotated_coordinates.z)); if (radius_pos *radius_pos < (rotated_coordinates.x*rotated_coordinates.x+rotated_coordinates.z*rotated_coordinates.z)) { if (verbal == 1) printf("Point sticks out radially \n"); inside = 0; } //printf("\n IS INSIDE? %i",inside); } if (inside == 0) return 0; else return 1; }; int sample_cone_intersect(double *t, double *nx, double *ny, double *nz, int *surface_index, int *num_solutions, double *r, double *v, struct geometry_struct *geometry) { /* double radius_top = geometry->geometry_parameters.p_cone_storage->cone_radius_top; double radius_bottom = geometry->geometry_parameters.p_cone_storage->cone_radius_bottom; double height = geometry->geometry_parameters.p_cone_storage->height; */ double radius_top = geometry->geometry_parameters.p_cone_storage->cone_radius_top; double radius_bottom = geometry->geometry_parameters.p_cone_storage->cone_radius_bottom; double height = geometry->geometry_parameters.p_cone_storage->height; //Coords direction = geometry->geometry_parameters.p_cone_storage->direction_vector; Coords center = geometry->center; Coords direction = coords_set(0,1,0); //Coords bottom_point = coords_add(center,coords_scalar_mult(direction,-0.5*height)); //Coords top_point = coords_add(center,coords_scalar_mult(direction,0.5*height)); // Declare variables for the function double x_new,y_new,z_new; // Coordinate transformation x_new = r[0] - geometry->center.x; y_new = r[1] - geometry->center.y; z_new = r[2] - geometry->center.z; Coords coordinates = coords_set(x_new,y_new,z_new); Coords rotated_coordinates; // printf("Cords coordinates = (%f,%f,%f)\n",coordinates.x,coordinates.y,coordinates.z); // debug // Rotation rotation_matrix_debug[3][3]; // rot_set_rotation(rotation_matrix_debug,-1.0*geometry->rotation.x,-1.0*geometry->rotation.y,-1.0*geometry->rotation.z); // rot_transpose(geometry->rotation_matrix,rotation_matrix_debug); // Rotate the position of the neutron around the center of the cone rotated_coordinates = rot_apply(geometry->transpose_rotation_matrix,coordinates); // rotated_coordinates = rot_apply(rotation_matrix_debug,coordinates); // printf("Cords rotated_coordinates = (%f,%f,%f)\n",rotated_coordinates.x,rotated_coordinates.y,rotated_coordinates.z); Coords velocity = coords_set(v[0],v[1],v[2]); Coords rotated_velocity; // printf("Cords velocity = (%f,%f,%f)\n",velocity.x,velocity.y,velocity.z); // Rotate the position of the neutron around the center of the cone rotated_velocity = rot_apply(geometry->transpose_rotation_matrix,velocity); // rotated_velocity = rot_apply(rotation_matrix_debug,velocity); // printf("Cords rotated_velocity = (%f,%f,%f)\n",rotated_velocity.x,rotated_velocity.y,rotated_velocity.z); Coords normal_vector_rotated; Coords normal_vector; // Test if the ray gets close to the cone by making a sphere around cone and check intersection double Y; double max_r; Y = -(0.5*height)-(radius_top*radius_top-radius_bottom*radius_bottom)/(2*height); if (radius_top > radius_bottom){ max_r = radius_top; }else{ max_r = radius_bottom; } double sphere_radius = sqrt((Y+(1/2)*height)*(Y+(1/2)*height)+max_r*max_r); Coords sphere_pos = coords_set(center.x+direction.x*Y,center.y+direction.y*Y,center.z+direction.z*Y); double x_sphere = sphere_pos.x - geometry->center.x; double y_sphere = sphere_pos.y - geometry->center.y; double z_sphere = sphere_pos.z - geometry->center.z; double sphere_t[2]; int output = 0; // Run McStas built in sphere intersect funtion (sphere centered around origin) if ((output = sphere_intersect(&sphere_t[0],&sphere_t[1],x_sphere,y_sphere,z_sphere,v[0],v[1],v[2],sphere_radius)) == 0) if (sphere_t[0] > -1){ if (sphere_t[1] > -1){ t[0] = -1; t[1] = -1; return 0; } } //Coords normal_vector_rotated; //Coords normal_vector; double tmp; // Check if the ray intersects with the top and bottom circles double t_plane[2]; t_plane[0] = (height/2 - rotated_coordinates.y) / rotated_velocity.y; t_plane[1] = (-height/2 - rotated_coordinates.y) / rotated_velocity.y; *num_solutions = 2; // Reduce from infinite plane to circles // sqrt(xpos^2 + zpos^2) > r => t = -1 double xpos; double zpos; xpos=rotated_coordinates.x+t_plane[0]*rotated_velocity.x; zpos=rotated_coordinates.z+t_plane[0]*rotated_velocity.z; if ((xpos*xpos + zpos*zpos) > radius_top*radius_top){ t_plane[0] = -1; *num_solutions = *num_solutions-1; } else { normal_vector_rotated = coords_set(0,1,0); normal_vector = rot_apply(geometry->rotation_matrix, normal_vector_rotated); // Set the normal vector components nx[0] = normal_vector.x; ny[0] = normal_vector.y; nz[0] = normal_vector.z; surface_index[0] = 1; // top index } xpos=rotated_coordinates.x+t_plane[1]*rotated_velocity.x; zpos=rotated_coordinates.z+t_plane[1]*rotated_velocity.z; if ((xpos*xpos + zpos*zpos) > radius_bottom*radius_bottom){ t_plane[1] = -1; *num_solutions = *num_solutions-1; } else { normal_vector_rotated = coords_set(0,-1,0); normal_vector = rot_apply(geometry->rotation_matrix, normal_vector_rotated); // Set the normal vector components nx[1] = normal_vector.x; ny[1] = normal_vector.y; nz[1] = normal_vector.z; surface_index[1] = 2; // bottom index } // sort solutions: if (t_plane[0]>t_plane[1]){ tmp = t_plane[1]; t_plane[1] = t_plane[0]; t_plane[0] = tmp; // Also switch the normal vectors tmp = nx[1]; nx[1] = nx[0]; nx[0] = tmp; tmp = ny[1]; ny[1] = ny[0]; ny[0] = tmp; tmp = nz[1]; nz[1] = nz[0]; nz[0] = tmp; // Switch surface_index int temp_int = surface_index[1]; surface_index[1] = surface_index[0]; surface_index[0] = temp_int; } double nx_cone[2], ny_cone[2], nz_cone[2]; int surface_index_cone[2]; double r_current; double x, y, z, dt; if (*num_solutions == 2){ // Intersect only on planes t[0] = t_plane[0]; t[1] = t_plane[1]; } else { // Intersects with cone // Intersection with cone: // solve the equation: t*A+sqrt(t*B)+C = 0 tmp = (rotated_velocity.y*radius_top/height-rotated_velocity.y*radius_bottom/height); double A = rotated_velocity.x*rotated_velocity.x+rotated_velocity.z*rotated_velocity.z-tmp*tmp; double B = 2*rotated_velocity.x*rotated_coordinates.x+2*rotated_velocity.z*rotated_coordinates.z-(2*(rotated_velocity.y*radius_top/height-rotated_velocity.y*radius_bottom/height))*((0.5)*radius_bottom+rotated_coordinates.y*radius_top/height-rotated_coordinates.y*radius_bottom/height+radius_top/2); tmp = (radius_bottom/2+rotated_coordinates.y*radius_top/height-rotated_coordinates.y*radius_bottom/height+radius_top/2); double C = rotated_coordinates.x*rotated_coordinates.x+rotated_coordinates.z*rotated_coordinates.z-tmp*tmp; double t_cone[2]; t_cone[1]= -(B+sqrt(-4*A*C+B*B))/(2*A); t_cone[0]= -(B-sqrt(-4*A*C+B*B))/(2*A); //solve_2nd_order(&t_cone[0], &t_cone[1], A, B, C); // remove solutions on cone over top and under bottom if (fabs(t_cone[0]*rotated_velocity.y+rotated_coordinates.y) > height/2) { t_cone[0] = -1; } else { dt = t_cone[0]; // Intersection point in cylinder coordinate system x = rotated_coordinates.x + dt*rotated_velocity.x; y = rotated_coordinates.y + dt*rotated_velocity.y; z = rotated_coordinates.z + dt*rotated_velocity.z; r_current = radius_top + ((y-0.5*height)/height)*(radius_top - radius_bottom); if (radius_bottom==radius_top) { normal_vector_rotated = coords_set(x/r_current, 0.0, z/r_current); } else { normal_vector_rotated = coords_set(x/r_current, (radius_bottom - radius_top)/height, z/r_current); } NORM(normal_vector_rotated.x, normal_vector_rotated.y, normal_vector_rotated.z); // Rotate back to master coordinate system normal_vector = rot_apply(geometry->rotation_matrix, normal_vector_rotated); // Set the normal vector components nx_cone[0] = normal_vector.x; ny_cone[0] = normal_vector.y; nz_cone[0] = normal_vector.z; surface_index_cone[0] = 0; } if (fabs(t_cone[1]*rotated_velocity.y+rotated_coordinates.y) > height/2) { t_cone[1] = -1; } else { dt = t_cone[1]; // Intersection point in cylinder coordinate system x = rotated_coordinates.x + dt*rotated_velocity.x; y = rotated_coordinates.y + dt*rotated_velocity.y; z = rotated_coordinates.z + dt*rotated_velocity.z; r_current = radius_top + ((y-0.5*height)/height)*(radius_top - radius_bottom); if (radius_bottom==radius_top) { normal_vector_rotated = coords_set(x/r_current, 0.0, z/r_current); } else { normal_vector_rotated = coords_set(x/r_current, (radius_bottom - radius_top)/height, z/r_current); } NORM(normal_vector_rotated.x, normal_vector_rotated.y, normal_vector_rotated.z); // Rotate back to master coordinate system normal_vector = rot_apply(geometry->rotation_matrix, normal_vector_rotated); // Set the normal vector components nx_cone[1] = normal_vector.x; ny_cone[1] = normal_vector.y; nz_cone[1] = normal_vector.z; surface_index_cone[1] = 0; } // sort solutions: if (t_cone[0]>t_cone[1]){ tmp = t_cone[1]; t_cone[1] = t_cone[0]; t_cone[0] = tmp; // Also switch the normal vectors tmp = nx_cone[1]; nx_cone[1] = nx_cone[0]; nx_cone[0] = tmp; tmp = ny_cone[1]; ny_cone[1] = ny_cone[0]; ny_cone[0] = tmp; tmp = nz_cone[1]; nz_cone[1] = nz_cone[0]; nz_cone[0] = tmp; // Switch surface_index int temp_int = surface_index_cone[1]; surface_index_cone[1] = surface_index_cone[0]; surface_index_cone[0] = temp_int; } if (*num_solutions == 1){ t[0] = t_cone[1]; nx[0] = nx_cone[1]; ny[0] = ny_cone[1]; nz[0] = nz_cone[1]; surface_index[0] = surface_index_cone[1]; t[1] = t_plane[1]; } if (*num_solutions == 0){ t[0] = t_cone[0]; nx[0] = nx_cone[0]; ny[0] = ny_cone[0]; nz[0] = nz_cone[0]; surface_index[0] = surface_index_cone[0]; t[1] = t_cone[1]; nx[1] = nx_cone[1]; ny[1] = ny_cone[1]; nz[1] = nz_cone[1]; surface_index[1] = surface_index_cone[1]; } } /* // Count solutions *num_solutions = 0; if (t[0] > 0){ *num_solutions += 1; }else { t[0]=-1; } if (t[1] > 0){ *num_solutions += 1; }else { t[1]=-1; } */ *num_solutions = 2; if (t[0] > t[1]) { tmp = t[1]; t[1] = t[0]; t[0] = tmp; tmp = nx[1]; nx[1] = nx[0]; nx[0] = tmp; tmp = ny[1]; ny[1] = ny[0]; ny[0] = tmp; tmp = nz[1]; nz[1] = nz[0]; nz[0] = tmp; // Switch surface_index int temp_int = surface_index[1]; surface_index[1] = surface_index[0]; surface_index[0] = temp_int; } switch(*num_solutions) { case 2: //printf("case 2 t[0]=%lf (%lf, %lf, %lf) t[1]=%lf (%lf, %lf, %lf) \n", t[0], nx[0], ny[0], nz[0], t[1], nx[1], ny[1], nz[1]); return 1; case 1: t[0] = -1; //printf("case 1 t[0]=%lf t[1]=%lf \n", t[0], t[1]); return 1; case 0: t[0] = -1; t[1] = -1; //printf("case 0 t[0]=%lf t[1]=%lf \n", t[0], t[1]); return 0; } // FIXME should we ever reach / return here? return -2; }; int cone_intersect(double *t,int *num_solutions,double *r,double *v,struct geometry_struct *geometry){ /* This function takes the inputs from a neutron and calculates all intersections with the cone geometry. Output is true or false depending on intersections will occour, and a list of time-stapms of all possible intersections. Math used here is based on the math found on: http://lousodrome.net/blog/light/2017/01/03/intersection-of-a-ray-and-a-cone/ But has been modified to sollve the problem within the syntax needed in Union This function was created by Martin Olsen at NBI on september 20, 2018. */ double radius_top = geometry->geometry_parameters.p_cone_storage->cone_radius_top; double radius_bottom = geometry->geometry_parameters.p_cone_storage->cone_radius_bottom; double height = geometry->geometry_parameters.p_cone_storage->height; Coords direction = geometry->geometry_parameters.p_cone_storage->direction_vector; Coords center = geometry->center; Coords bottom_point = coords_add(center,coords_scalar_mult(direction,-0.5*height)); Coords top_point = coords_add(center,coords_scalar_mult(direction,0.5*height)); /* // check if this is a cylinder int isCylinder = 0; if (radius_top==radius_bottom){ isCylinder = 1; } // Intersection with a cone if (isCylinder == 0){ } // Intersection with a cylinder if (isCylinder == 1){ } */ // FIXME Is it meaningful that this function is of int type? Anyone requesting output? return 0; }; int r_within_mesh(Coords pos,struct geometry_struct *geometry) { //TODO: Make a single intersection algorithm that all the three mesh intersections // Can use // Unpack parameters Coords center = geometry->center; int n_facets = geometry->geometry_parameters.p_mesh_storage->n_facets; double *normal_x = geometry->geometry_parameters.p_mesh_storage->normal_x; double *normal_y = geometry->geometry_parameters.p_mesh_storage->normal_y; double *normal_z = geometry->geometry_parameters.p_mesh_storage->normal_z; double *v1_x = geometry->geometry_parameters.p_mesh_storage->v1_x; double *v1_y = geometry->geometry_parameters.p_mesh_storage->v1_y; double *v1_z = geometry->geometry_parameters.p_mesh_storage->v1_z; double *v2_x = geometry->geometry_parameters.p_mesh_storage->v2_x; double *v2_y = geometry->geometry_parameters.p_mesh_storage->v2_y; double *v2_z = geometry->geometry_parameters.p_mesh_storage->v2_z; double *v3_x = geometry->geometry_parameters.p_mesh_storage->v3_x; double *v3_y = geometry->geometry_parameters.p_mesh_storage->v3_y; double *v3_z = geometry->geometry_parameters.p_mesh_storage->v3_z; double x_new,y_new,z_new; // Coordinate transformation x_new = pos.x - geometry->center.x; y_new = pos.y - geometry->center.y; z_new = pos.z - geometry->center.z; Coords coordinates = coords_set(x_new,y_new,z_new); Coords rotated_coordinates; rotated_coordinates = rot_apply(geometry->transpose_rotation_matrix,coordinates); int verbal = 0; // Generate unit direction vector along center axis of meshs // Start with vector that points along the mesh in the simple frame, and rotate to global Coords simple_vector = coords_set(0,1,0); Coords test_vector = coords_set(0,1,0); // Check intersections with every single facet: int iter =0; int counter=0; int neg_counter=0; Coords edge1,edge2,h,s,q,tmp,intersect_pos; double UNION_EPSILON = 1e-27; double this_facet_t; double a,f,u,V; //////printf("\n RWITHIN TEST 1ste"); for (iter = 0 ; iter < n_facets ; iter++){ // Intersection with face plane (Möller–Trumbore) edge1 = coords_set(*(v2_x+iter)-*(v1_x+iter),*(v2_y+iter)-*(v1_y+iter),*(v2_z+iter)-*(v1_z+iter)); edge2 = coords_set(*(v3_x+iter)-*(v1_x+iter),*(v3_y+iter)-*(v1_y+iter),*(v3_z+iter)-*(v1_z+iter)); vec_prod(h.x,h.y,h.z,test_vector.x,test_vector.y,test_vector.z,edge2.x,edge2.y,edge2.z); a = Dot(edge1,h); if (a > -UNION_EPSILON && a < UNION_EPSILON){ //////printf("\n UNION_EPSILON fail"); } else{ f = 1.0/a; s = coords_sub(rotated_coordinates, coords_set(*(v1_x+iter),*(v1_y+iter),*(v1_z+iter))); u = f * (Dot(s,h)); if (u < 0.0 || u > 1.0){ }else{ //q = vec_prod(s,edge1); vec_prod(q.x,q.y,q.z,s.x,s.y,s.z,edge1.x,edge1.y,edge1.z); V = f * Dot(test_vector,q); if (V < 0.0 || u + V > 1.0){ } else { // At this stage we can compute t to find out where the intersection point is on the line. if (f* Dot(q,edge2) > 0){ counter++; } else { neg_counter++; } if (fabs(f* Dot(q,edge2)) > UNION_EPSILON){ } else { //printf("\n [%f %f %f] Failed due to being close to surface, E = %f",rotated_coordinates.x,rotated_coordinates.y,rotated_coordinates.z,f* Dot(q,edge2)); } } } } } int C1 = counter; int maxC; int sameNr =0; if (counter % 2 == neg_counter % 2){ maxC = counter; sameNr = 1; } else { //printf("\n not the same intersection numbers (%i , %i)",counter,neg_counter); maxC = counter; sameNr = 0; } if (sameNr == 0){ test_vector = coords_set(0,0,1); iter =0; counter=0; for (iter = 0 ; iter < n_facets ; iter++){ // Intersection with face plane (Möller–Trumbore) edge1 = coords_set(*(v2_x+iter)-*(v1_x+iter),*(v2_y+iter)-*(v1_y+iter),*(v2_z+iter)-*(v1_z+iter)); edge2 = coords_set(*(v3_x+iter)-*(v1_x+iter),*(v3_y+iter)-*(v1_y+iter),*(v3_z+iter)-*(v1_z+iter)); vec_prod(h.x,h.y,h.z,test_vector.x,test_vector.y,test_vector.z,edge2.x,edge2.y,edge2.z); a = Dot(edge1,h); if (a > -UNION_EPSILON && a < UNION_EPSILON){ //////printf("\n UNION_EPSILON fail"); } else{ f = 1.0/a; s = coords_sub(rotated_coordinates , coords_set(*(v1_x+iter),*(v1_y+iter),*(v1_z+iter))); u = f * (Dot(s,h)); if (u < 0.0 || u > 1.0){ }else{ //q = vec_prod(s,edge1); vec_prod(q.x,q.y,q.z,s.x,s.y,s.z,edge1.x,edge1.y,edge1.z); V = f * Dot(test_vector,q); if (V < 0.0 || u + V > 1.0){ } else { // At this stage we can compute t to find out where the intersection point is on the line. if (f* Dot(q,edge2) > 0){ counter++; } else { neg_counter++; } if (fabs(f* Dot(q,edge2)) > UNION_EPSILON){ } else { printf("\n [%f %f %f] Failed due to being close to surface (2. iteration), E = %f",rotated_coordinates.x,rotated_coordinates.y,rotated_coordinates.z,f* Dot(q,edge2)); } } } } } } if (counter % 2 == neg_counter % 2){ maxC = counter; sameNr = 1; } else { printf("\n not the same intersection numbers (%i , %i) second iteration",counter,neg_counter); maxC = counter; sameNr = 0; } if (sameNr == 0){ test_vector = coords_set(1,0,0); iter =0; counter=0; for (iter = 0 ; iter < n_facets ; iter++){ // Intersection with face plane (Möller–Trumbore) edge1 = coords_set(*(v2_x+iter)-*(v1_x+iter),*(v2_y+iter)-*(v1_y+iter),*(v2_z+iter)-*(v1_z+iter)); edge2 = coords_set(*(v3_x+iter)-*(v1_x+iter),*(v3_y+iter)-*(v1_y+iter),*(v3_z+iter)-*(v1_z+iter)); vec_prod(h.x,h.y,h.z,test_vector.x,test_vector.y,test_vector.z,edge2.x,edge2.y,edge2.z); a = Dot(edge1,h); if (a > -UNION_EPSILON && a < UNION_EPSILON){ //////printf("\n UNION_EPSILON fail"); } else{ f = 1.0/a; s = coords_sub(rotated_coordinates , coords_set(*(v1_x+iter),*(v1_y+iter),*(v1_z+iter))); u = f * (Dot(s,h)); if (u < 0.0 || u > 1.0){ //////printf("\n Nope 1"); }else{ //q = vec_prod(s,edge1); vec_prod(q.x,q.y,q.z,s.x,s.y,s.z,edge1.x,edge1.y,edge1.z); V = f * Dot(test_vector,q); if (V < 0.0 || u + V > 1.0){ } else { // At this stage we can compute t to find out where the intersection point is on the line. if (f* Dot(q,edge2) > 0){ counter++; } else { neg_counter++; } if (fabs(f* Dot(q,edge2)) > UNION_EPSILON){ } else { printf("\n [%f %f %f] Failed due to being close to surface (3. iteration), E = %f",rotated_coordinates.x,rotated_coordinates.y,rotated_coordinates.z,f* Dot(q,edge2)); } } } } } } if (counter % 2 == neg_counter % 2){ maxC = counter; } else { return 0; } if ( maxC % 2 == 0) { return 0; }else{ return 1; } return 0; }; // Type for holding intersection and normal typedef struct { double t; double nx, ny, nz; int surface_index; } Intersection; // Function to sort intersection structs according to time int compare_intersections(const void *a, const void *b) { const Intersection *ia = a; const Intersection *ib = b; if (ia->t < ib->t) return -1; if (ia->t > ib->t) return 1; return 0; } int sample_mesh_intersect(double *t, double *nx, double *ny, double*nz, int *surface_index, int *num_solutions,double *r,double *v, struct geometry_struct *geometry) { int n_facets = geometry->geometry_parameters.p_mesh_storage->n_facets; double *normal_x = geometry->geometry_parameters.p_mesh_storage->normal_x; double *normal_y = geometry->geometry_parameters.p_mesh_storage->normal_y; double *normal_z = geometry->geometry_parameters.p_mesh_storage->normal_z; double *v1_x = geometry->geometry_parameters.p_mesh_storage->v1_x; double *v1_y = geometry->geometry_parameters.p_mesh_storage->v1_y; double *v1_z = geometry->geometry_parameters.p_mesh_storage->v1_z; double *v2_x = geometry->geometry_parameters.p_mesh_storage->v2_x; double *v2_y = geometry->geometry_parameters.p_mesh_storage->v2_y; double *v2_z= geometry->geometry_parameters.p_mesh_storage->v2_z; double *v3_x = geometry->geometry_parameters.p_mesh_storage->v3_x; double *v3_y = geometry->geometry_parameters.p_mesh_storage->v3_y; double *v3_z = geometry->geometry_parameters.p_mesh_storage->v3_z; Coords Bounding_Box_Center = geometry->geometry_parameters.p_mesh_storage->Bounding_Box_Center; double Bounding_Box_Radius = geometry->geometry_parameters.p_mesh_storage->Bounding_Box_Radius; int i; double x_new,y_new,z_new; // Coordinate transformation x_new = r[0] - geometry->center.x; y_new = r[1] - geometry->center.y; z_new = r[2] - geometry->center.z; double x_bb,y_bb,z_bb; x_bb = r[0] - Bounding_Box_Center.x - geometry->center.x; y_bb = r[1] - Bounding_Box_Center.y - geometry->center.y; z_bb = r[2] - Bounding_Box_Center.z - geometry->center.z; Coords coordinates = coords_set(x_new,y_new,z_new); Coords rotated_coordinates; // Rotate the position of the neutron around the center of the mesh rotated_coordinates = rot_apply(geometry->transpose_rotation_matrix,coordinates); Coords bounding_box_coordinates = coords_set(x_bb, y_bb, z_bb); Coords bounding_box_rotated_coordinates; bounding_box_rotated_coordinates = rot_apply(geometry->transpose_rotation_matrix,bounding_box_coordinates); Coords velocity = coords_set(v[0],v[1],v[2]); Coords rotated_velocity; // Rotate the position of the neutron around the center of the mesh rotated_velocity = rot_apply(geometry->transpose_rotation_matrix,velocity); int output = 0; double tmpres[2]; // Test intersection with bounding sphere if ((output = sphere_intersect(&tmpres[0],&tmpres[1], bounding_box_rotated_coordinates.x, bounding_box_rotated_coordinates.y, bounding_box_rotated_coordinates.z, rotated_velocity.x, rotated_velocity.y, rotated_velocity.z, Bounding_Box_Radius)) == 0) { t[0] = -1; t[1] = -1; *num_solutions = 0; return 0; } // Check intersections with every single facet: int iter =0; int counter=0; Coords edge1,edge2,h,s,q,tmp,intersect_pos; double UNION_EPSILON = 0.0000001; double this_facet_t; double a,f,u,V; double *t_intersect=malloc(n_facets*sizeof(double)); int *facet_index = malloc(n_facets*sizeof(int)); if (!t_intersect || !facet_index) { fprintf(stderr,"Failure allocating list in Union function sample_mesh_intersect - Exit!\n"); exit(EXIT_FAILURE); } *num_solutions = 0; for (iter = 0 ; iter < n_facets ; iter++){ // Intersection with face plane (Möller–Trumbore) edge1 = coords_set(*(v2_x+iter)-*(v1_x+iter),*(v2_y+iter)-*(v1_y+iter),*(v2_z+iter)-*(v1_z+iter)); edge2 = coords_set(*(v3_x+iter)-*(v1_x+iter),*(v3_y+iter)-*(v1_y+iter),*(v3_z+iter)-*(v1_z+iter)); vec_prod(h.x,h.y,h.z,rotated_velocity.x,rotated_velocity.y,rotated_velocity.z,edge2.x,edge2.y,edge2.z); a = Dot(edge1,h); //if (a > -UNION_EPSILON && a < UNION_EPSILON){ ////printf("\n UNION_EPSILON fail"); //} f = 1.0/a; s = coords_sub(rotated_coordinates, coords_set(*(v1_x+iter),*(v1_y+iter),*(v1_z+iter))); u = f * (Dot(s,h)); if (u < 0.0 || u > 1.0){ } else { //q = vec_prod(s,edge1); vec_prod(q.x,q.y,q.z,s.x,s.y,s.z,edge1.x,edge1.y,edge1.z); V = f * Dot(rotated_velocity,q); if (V < 0.0 || u + V > 1.0){ } else { // At this stage we can compute t to find out where the intersection point is on the line. t_intersect[counter] = f* Dot(q,edge2); facet_index[counter] = iter; //printf("\nIntersects at time: t= %f\n",t_intersect[counter] ); counter++; } } } *num_solutions = counter; // Early exit if there are not solutions if (*num_solutions == 0){ free(t_intersect); free(facet_index); return 0; } // Move times and normal's into structs to be sorted Intersection *hits = malloc(*num_solutions * sizeof(Intersection)); if (!hits) { fprintf(stderr,"Failure allocating Intersection list struct in Union function sample_mesh_intersect - Exit!\n"); exit(EXIT_FAILURE); } for (iter=0; iter < *num_solutions; iter++){ hits[iter].t = t_intersect[iter];; hits[iter].nx = normal_x[facet_index[iter]]; hits[iter].ny = normal_y[facet_index[iter]]; hits[iter].nz = normal_z[facet_index[iter]]; hits[iter].surface_index = 0; } // Sort structs according to time qsort(hits, *num_solutions, sizeof(Intersection), compare_intersections); // Place the solutions into the pointers given in the function parameters for return for (int i = 0; i < *num_solutions; i++) { t[i] = hits[i].t; nx[i] = hits[i].nx; ny[i] = hits[i].ny; nz[i] = hits[i].nz; surface_index[i] = hits[i].surface_index; } free(facet_index); free(t_intersect); free(hits); return 1; }; int r_within_box_advanced(Coords pos,struct geometry_struct *geometry) { // Unpack parameters double width1 = geometry->geometry_parameters.p_box_storage->x_width1; double height1 = geometry->geometry_parameters.p_box_storage->y_height1; double width2 = geometry->geometry_parameters.p_box_storage->x_width2; double height2 = geometry->geometry_parameters.p_box_storage->y_height2; double depth = geometry->geometry_parameters.p_box_storage->z_depth; // Transform to the center Coords coordinates = coords_sub(pos,geometry->center); Coords rotated_coordinates; // Rotate the position of the neutron around the center of the cylinder rotated_coordinates = rot_apply(geometry->transpose_rotation_matrix,coordinates); if (rotated_coordinates.z < -0.5*depth || rotated_coordinates.z > 0.5*depth) return 0; double depth_ratio = ((rotated_coordinates.z+0.5*depth)/depth); double width_at_depth = width1 + (width2-width1)*depth_ratio; if (rotated_coordinates.x < -0.5*width_at_depth || rotated_coordinates.x > 0.5*width_at_depth) return 0; double height_at_depth = height1 + (height2-height1)*depth_ratio; if (rotated_coordinates.y < -0.5*height_at_depth || rotated_coordinates.y > 0.5*height_at_depth) return 0; return 1; }; // ------------- Functions for box ray tracing used in initialize ---------------------------- // These functions does not need to be fast, as they are only used once int box_within_box(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Is geometry child inside geometry parent? // For box child to be inside of box parent, all corners of box child must be inside of box parent. // Generate coordinates of corners of box2 Coords corner_points[8]; box_corners_global_frame(corner_points,geometry_child); // Check earch corner seperatly int iterate; for (iterate=0;iterate<8;iterate++) { if (geometry_parent->within_function(corner_points[iterate],geometry_parent) == 0) { return 0; // If a corner is outside, box 2 is not within box 1 } } return 1; // If no corner was outside, box 2 is inside box 1 }; int existence_of_intersection(Coords point1, Coords point2, struct geometry_struct *geometry) { // Checks if a line segment between point1 and point2 intersects the given geometry Coords vector_between = coords_sub(point2,point1); double start_point[3],vector_between_v[3]; double temp_solution[2]; int number_of_solutions; start_point[0] = point1.x;start_point[1] = point1.y;start_point[2] = point1.z; vector_between_v[0] = vector_between.x;vector_between_v[1] = vector_between.y;vector_between_v[2] = vector_between.z; // todo: Switch to nicer intersect call double dummy_double[2]; int dummy_int[2]; //printf("\nChecking the existence of intersections"); geometry->intersect_function(temp_solution, dummy_double, dummy_double, dummy_double, dummy_int, &number_of_solutions, start_point, vector_between_v, geometry); if (number_of_solutions > 0) { //printf("\nMore than 1 solution has been found"); if (temp_solution[0] > 0 && temp_solution[0] < 1) return 1; if (number_of_solutions == 2) { if (temp_solution[1] > 0 && temp_solution[1] < 1) return 1; } } return 0; }; int box_overlaps_box(struct geometry_struct *geometry1,struct geometry_struct *geometry2) { // Algorithm for checking if two boxes overlap // First check if one is inside the other by checking corners and within the other // Generate coordinates of corners of box1 Coords corner_points1[8]; box_corners_global_frame(corner_points1,geometry1); // Check earch corner seperatly int iterate; for (iterate=0;iterate<8;iterate++) { if (geometry2->within_function(corner_points1[iterate],geometry2) == 1) { return 1; // If a corner of box 1 is inside box 2, the two boxes overlaps } } Coords corner_points2[8]; box_corners_global_frame(corner_points2,geometry2); for (iterate=0;iterate<8;iterate++) { if (geometry1->within_function(corner_points2[iterate],geometry1) == 1) { return 1; // If a corner of box 2 is inside box 1, the two boxes overlaps } } // Check intersections for the lines between the corners of box1 and the box2 geometry // 12 sides to a box, if any one of them intersects, the volumes overlaps for (iterate=0;iterate<3;iterate++) { // if (existence_of_intersection(corner_points1[iterate],corner_points1[iterate+1],geometry2) == 1) return 1; } if (existence_of_intersection(corner_points1[3],corner_points1[0],geometry2) == 1) return 1; for (iterate=4;iterate<7;iterate++) { if (existence_of_intersection(corner_points1[iterate],corner_points1[iterate+1],geometry2) == 1) return 1; } if (existence_of_intersection(corner_points1[7],corner_points1[4],geometry2) == 1) return 1; for (iterate=0;iterate<4;iterate++) { if (existence_of_intersection(corner_points1[iterate],corner_points1[iterate+4],geometry2) == 1) return 1; } // Check intersections for the lines between the corners of box2 and the box1 geometry // 12 sides to a box, if any one of them intersects, the volumes overlaps for (iterate=0;iterate<3;iterate++) { // if (existence_of_intersection(corner_points2[iterate],corner_points2[iterate+1],geometry1) == 1) return 1; } if (existence_of_intersection(corner_points2[3],corner_points2[0],geometry1) == 1) return 1; for (iterate=4;iterate<7;iterate++) { if (existence_of_intersection(corner_points2[iterate],corner_points2[iterate+1],geometry1) == 1) return 1; } if (existence_of_intersection(corner_points2[7],corner_points2[4],geometry1) == 1) return 1; for (iterate=0;iterate<4;iterate++) { if (existence_of_intersection(corner_points2[iterate],corner_points2[iterate+4],geometry1) == 1) return 1; } // If none of the boxes corners are inside the other box, and none of the sides of the boxes intersect the other box, they do not overlap. return 0; }; // ------------- Functions for sphere ray tracing used in trace ------------------------------ // These functions needs to be fast, as they may be used many times for each ray int sample_sphere_intersect(double *t, double *nx, double *ny, double *nz, int *surface_index, int *num_solutions,double *r,double *v,struct geometry_struct *geometry) { double radius = geometry->geometry_parameters.p_sphere_storage->sph_radius; // Declare variables for the function double x_new,y_new,z_new; // Coordinate transformation x_new = r[0] - geometry->center.x; y_new = r[1] - geometry->center.y; z_new = r[2] - geometry->center.z; int output = 0; // Run McStas built in sphere intersect funtion (sphere centered around origin) if ((output = sphere_intersect(&t[0],&t[1],x_new,y_new,z_new,v[0],v[1],v[2],radius)) == 0) { *num_solutions = 0;t[0]=-1;t[1]=-1;} else if (t[1] != 0) *num_solutions = 2; else {*num_solutions = 1;t[1]=-1;} // Calculate normals int iterator; double x_intersect, y_intersect, z_intersect; // relative to sphere center Coords coordinates; Coords rotated_coordinates; for (iterator=0;iterator<*num_solutions;iterator++) { x_intersect = t[iterator]*v[0] + x_new; y_intersect = t[iterator]*v[1] + y_new; z_intersect = t[iterator]*v[2] + z_new; coordinates = coords_set(x_intersect,y_intersect,z_intersect); NORM(coordinates.x, coordinates.y, coordinates.z); nx[iterator] = coordinates.x; ny[iterator] = coordinates.y; nz[iterator] = coordinates.z; surface_index[iterator] = 0; /* // Since the ray was never rotated into the sphere coordinate system (due to symmetry) // rotating back is not necessary // printf("Cords coordinates = (%f,%f,%f)\n",coordinates.x,coordinates.y,coordinates.z); // debug // Rotation rotation_matrix_debug[3][3]; // rot_set_rotation(rotation_matrix_debug,-1.0*geometry->rotation.x,-1.0*geometry->rotation.y,-1.0*geometry->rotation.z); // rot_transpose(geometry->rotation_matrix,rotation_matrix_debug); // Rotate the position of the neutron around the center of the cylinder rotated_coordinates = rot_apply(geometry->transpose_rotation_matrix,coordinates); */ } return output; }; int r_within_sphere(Coords pos,struct geometry_struct *geometry) { // Unpack parameters double radius = geometry->geometry_parameters.p_sphere_storage->sph_radius; // Calculate the distance between the center and the sphere, and the current position double distance = distance_between(pos,geometry->center); //printf("distance = %f\n",distance); //printf("radius = %f\n",radius); //printf("current_position.x = %f,current_position.y = %f,current_position.z = %f\n",current_position.x,current_position.y,current_position.z); //printf("geometry.x = %f,geometry.y = %f,geometry.z = %f\n",geometry->center.x,geometry->center.y,geometry->center.z); //printf("return = %d\n",(distance <= radius)); return (distance < radius); }; // ------------- Functions for sphere ray tracing used in initialize ------------------------- // These functions does not need to be fast, as they are only used once int sphere_overlaps_sphere(struct geometry_struct *geometry1,struct geometry_struct *geometry2) { // Unpack parameters double radius1 = geometry1->geometry_parameters.p_sphere_storage->sph_radius; double radius2 = geometry2->geometry_parameters.p_sphere_storage->sph_radius; // Calculate distance double distance = distance_between(geometry1->center,geometry2->center); // Return 0 if the spheres does not overlap, 1 if they do. // printf("Output from sphere_overlaps_sphere = %d \n",(distance <= (radius1 + radius2))); return (distance <= (radius1 + radius2)); }; int sphere_within_sphere(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Unpack parameters double radius_child = geometry_child->geometry_parameters.p_sphere_storage->sph_radius; double radius_parent = geometry_parent->geometry_parameters.p_sphere_storage->sph_radius; // Calculate distance double distance = distance_between(geometry_child->center,geometry_parent->center); // Return 1 if sphere child is within sphere parent, 0 if they do not. return (distance + radius_child <= radius_parent); }; // ------------- Functions for cylinder ray tracing used in trace ------------------------------ // These functions needs to be fast, as they may be used many times for each ray int sample_cylinder_intersect(double *t, double *nx, double *ny, double *nz, int *surface_index, int *num_solutions,double *r,double *v,struct geometry_struct *geometry) { double radius = geometry->geometry_parameters.p_cylinder_storage->cyl_radius; double height = geometry->geometry_parameters.p_cylinder_storage->height; // Declare position variables for the local coordinate system double x_new,y_new,z_new; // Coordinate transformation x_new = r[0] - geometry->center.x; y_new = r[1] - geometry->center.y; z_new = r[2] - geometry->center.z; Coords coordinates = coords_set(x_new,y_new,z_new); Coords rotated_coordinates; // Rotate the position of the neutron around the center of the cylinder rotated_coordinates = rot_apply(geometry->transpose_rotation_matrix,coordinates); Coords velocity = coords_set(v[0],v[1],v[2]); Coords rotated_velocity; // Rotate the position of the neutron around the center of the cylinder rotated_velocity = rot_apply(geometry->transpose_rotation_matrix,velocity); int output = 0; // Cases where the velocity is parallel with the cylinder axis have given problems, and is checked for explicitly if (sqrt(rotated_velocity.x*rotated_velocity.x+rotated_velocity.z*rotated_velocity.z)/fabs(rotated_velocity.y) < 0.00001) { // The velocity is parallel with the cylinder axis. Either there are no solutions or two solutions if (sqrt(rotated_coordinates.x*rotated_coordinates.x+rotated_coordinates.z*rotated_coordinates.z) > radius) { *num_solutions = 0; return 0; } else { *num_solutions = 2; t[0] = (0.5*height - rotated_coordinates.y)/rotated_velocity.y; surface_index[0] = 1; // index indicating top t[1] = (-0.5*height - rotated_coordinates.y)/rotated_velocity.y; surface_index[1] = 2; // index indicating bottom // sort solutions if (t[0] > t[1]) { double d_temp; d_temp = t[0]; t[0] = t[1]; t[1] = d_temp; int i_temp; i_temp = surface_index[0]; surface_index[0] = surface_index[1]; surface_index[1] = i_temp; } } } else { // velocity not parallel to cylinder axis, call standard mcstas cylinder intersect // Run McStas built in sphere intersect funtion (sphere centered around origin) if ((output = cylinder_intersect(&t[0],&t[1], rotated_coordinates.x,rotated_coordinates.y,rotated_coordinates.z, rotated_velocity.x,rotated_velocity.y,rotated_velocity.z,radius,height)) == 0) { *num_solutions = 0;t[0]=-1;t[1]=-1; } else if (t[1] != 0) *num_solutions = 2; else {*num_solutions = 1; t[1]=-1;} // decode output value // Check the bitmask for entry and exit if (*num_solutions > 0) { int entry_index = 0; if (output & 2) entry_index = 1; // Entry intersects top cap if (output & 4) entry_index = 2; // Entry intersects bottom cap surface_index[0] = entry_index; } if (*num_solutions > 1) { int exit_index = 0; if (output & 8) exit_index = 1; // Exit intersects top cap if (output & 16) exit_index = 2; // Exit intersects bottom cap surface_index[1] = exit_index; } } // Calculate normal vectors from surface index and cylinder geometry int index; double x, y, z, dt; Coords normal_vector_rotated; Coords normal_vector; for (index=0; index<*num_solutions; index++) { // top and bottom easy if (surface_index[index] == 1) { normal_vector_rotated = coords_set(0,1,0); } else if (surface_index[index] == 2) { normal_vector_rotated = coords_set(0,-1,0); } else { dt = t[index]; // Intersection point in cylinder coordinate system x = rotated_coordinates.x + dt*rotated_velocity.x; y = rotated_coordinates.y + dt*rotated_velocity.y; z = rotated_coordinates.z + dt*rotated_velocity.z; normal_vector_rotated = coords_set(x,0,z); NORM(normal_vector_rotated.x, normal_vector_rotated.y, normal_vector_rotated.z); } // Rotate back to master coordinate system normal_vector = rot_apply(geometry->rotation_matrix, normal_vector_rotated); // Set the normal vector components nx[index] = normal_vector.x; ny[index] = normal_vector.y; nz[index] = normal_vector.z; } return output; }; int r_within_cylinder(Coords pos,struct geometry_struct *geometry) { // Unpack parameters double radius = geometry->geometry_parameters.p_cylinder_storage->cyl_radius; double height = geometry->geometry_parameters.p_cylinder_storage->height; int verbal = 0; // Generate unit direction vector along center axis of cylinders // Start with vector that points along the cylinder in the simple frame, and rotate to global Coords simple_vector = coords_set(0,1,0); Coords vector1; if (verbal == 1) printf("Cords start_vector = (%f,%f,%f)\n",simple_vector.x,simple_vector.y,simple_vector.z); // Rotate the position of the neutron around the center of the cylinder vector1 = rot_apply(geometry->rotation_matrix,simple_vector); if (verbal == 1) printf("Cords vector1 = (%f,%f,%f)\n",vector1.x,vector1.y,vector1.z); // The cylinders are parallel. int seperated = 0; //double delta[3]; //delta[0] = geometry->center.x - r[0]; //delta[1] = geometry->center.y - r[1]; //delta[2] = geometry->center.z - r[2]; Coords delta = coords_sub(geometry->center,pos); // Test for separation by height // if (h0Div2 + h1Div2 − |Dot(W0, Delta )| < 0) seperated = 1; if (verbal == 1) printf("vector1 = (%f,%f,%f)\n",vector1.x,vector1.y,vector1.z); if (verbal == 1) printf("delta1 = (%f,%f,%f)\n",delta.x,delta.y,delta.z); double scalar_prod1 = scalar_prod(vector1.x,vector1.y,vector1.z,delta.x,delta.y,delta.z); if (verbal == 1) printf("scalar product = %f \n",scalar_prod1); if (verbal == 1) printf("height 1 = %f \n",height); int inside = 1; if (height*0.5 < fabs(scalar_prod1)) { if (verbal == 1) printf("point sticks out height wise \n"); inside = 0; } // Test for separation radially // if (rSum − |Delta − Dot(W0,Delta)∗W0| < 0) seperated = 1; double vector_between_cyl_axis[3]; vector_between_cyl_axis[0] = delta.x - scalar_prod1*vector1.x; vector_between_cyl_axis[1] = delta.y - scalar_prod1*vector1.y; vector_between_cyl_axis[2] = delta.z - scalar_prod1*vector1.z; if (verbal == 1) printf("vector_between = (%f,%f,%f)\n",vector_between_cyl_axis[0],vector_between_cyl_axis[1],vector_between_cyl_axis[2]); if (verbal == 1) printf("length of vector between = %f\n",length_of_3vector(vector_between_cyl_axis)); if (radius < length_of_3vector(vector_between_cyl_axis)) { if (verbal == 1) printf("Point sticks out radially \n"); inside = 0; } if (inside == 0) return 0; else return 1; }; // ------------- Functions for cylinder ray tracing used in initialize ------------------------- // These functions does not need to be fast, as they are only used once int cylinder_overlaps_cylinder(struct geometry_struct *geometry1,struct geometry_struct *geometry2) { // Unpack parameters double radius1 = geometry1->geometry_parameters.p_cylinder_storage->cyl_radius; double height1 = geometry1->geometry_parameters.p_cylinder_storage->height; double radius2 = geometry2->geometry_parameters.p_cylinder_storage->cyl_radius; double height2 = geometry2->geometry_parameters.p_cylinder_storage->height; int verbal = 0; // Generate unit direction vector along center axis of cylinders // Start with vector that points along the cylinder in the simple frame, and rotate to global Coords simple_vector = coords_set(0,1,0); Coords vector1,vector2; if (verbal == 1) printf("Cords start_vector = (%f,%f,%f)\n",simple_vector.x,simple_vector.y,simple_vector.z); // Rotate the position of the neutron around the center of the cylinder vector1 = rot_apply(geometry1->rotation_matrix,simple_vector); if (verbal == 1) printf("Cords vector1 = (%f,%f,%f)\n",vector1.x,vector1.y,vector1.z); // Rotate the position of the neutron around the center of the cylinder vector2 = rot_apply(geometry2->rotation_matrix,simple_vector); if (verbal == 1) printf("Cords vector2 = (%f,%f,%f)\n",vector2.x,vector2.y,vector2.z); // if vector1 and vector2 are parallel, the problem is simple, but if not complicated double cross_product1[3] = {0,0,0}; // printf("%f\n",cross_product1[0]); // vec prod(&ax,&ay,&az,bx,by,bz, cx,cy,cz) vec_prod(cross_product1[0],cross_product1[1],cross_product1[2],vector1.x,vector1.y,vector1.z,vector2.x,vector2.y,vector2.z); // I get an error taking the adress of cross_product1[0], &cross_product1[0]. Took the pointer adresses instead. Works fine. if (verbal == 1) printf("cross_product = (%f,%f,%f)\n",cross_product1[0],cross_product1[1],cross_product1[2]); double cross_product_length = length_of_3vector(cross_product1); if (cross_product_length == 0) { // The cylinders are parallel. int seperated = 0; double delta[3]; delta[0] = geometry1->center.x - geometry2->center.x; delta[1] = geometry1->center.y - geometry2->center.y; delta[2] = geometry1->center.z - geometry2->center.z; // Test for separation by height // if (h0Div2 + h1Div2 − |Dot(W0, Delta )| < 0) seperated = 1; if (verbal == 1) printf("vector1 = (%f,%f,%f)\n",vector1.x,vector1.y,vector2.z); if (verbal == 1) printf("delta1 = (%f,%f,%f)\n",delta[0],delta[1],delta[2]); double scalar_prod1 = scalar_prod(vector1.x,vector1.y,vector1.z,delta[0],delta[1],delta[2]); if (verbal == 1) printf("scalar product = %f \n",scalar_prod1); if (verbal == 1) printf("height 1 = %f, height 2 = %f \n",height1,height2); if (height1*0.5 + height2*0.5 - fabs(scalar_prod1) < 0) { if (verbal == 1) printf("seperated by height \n"); return 0; } // Test for separation radially // if (rSum − |Delta − Dot(W0,Delta)∗W0| < 0) seperated = 1; double vector_between_cyl_axis[3]; vector_between_cyl_axis[0] = delta[0] - scalar_prod1*vector1.x; vector_between_cyl_axis[1] = delta[1] - scalar_prod1*vector1.y; vector_between_cyl_axis[2] = delta[2] - scalar_prod1*vector1.z; if (verbal == 1) printf("vector_between = (%f,%f,%f)\n",vector_between_cyl_axis[0],vector_between_cyl_axis[1],vector_between_cyl_axis[2]); if (verbal == 1) printf("length of vector between = %f\n",length_of_3vector(vector_between_cyl_axis)); if (radius1+radius2 - length_of_3vector(vector_between_cyl_axis) < 0) { if (verbal == 1) printf("seperated radially \n"); return 0; } if (verbal == 1) printf("cylinders not seperated\n"); return 1; } else { // Todo: Speed up analysis by starting with a bounding sphere approach to avoid brute force in many cases // printf("The component uses a raytracing method for non parallel cylinders.\n"); // printf(" Make sure not to give this algorithm edge cases, where cylinders just touch.\n"); Coords cyl_direction1 = geometry1->geometry_parameters.p_cylinder_storage->direction_vector; // Doing a simple but not perfect overlap test // Checking cylinder sides. // Taking cylinder 1, making a vector at the base center. Coords base_point; base_point.x = geometry1->center.x - 0.5*height1*cyl_direction1.x; base_point.y = geometry1->center.y - 0.5*height1*cyl_direction1.y; base_point.z = geometry1->center.z - 0.5*height1*cyl_direction1.z; // Making a point at the circumference of the bottom circle of the cylinder double cross_input[3] = {0,1,0}; // In case the cross input is parallel with the vector, a new is chosen. Both can't be parallel. if (scalar_prod(cross_input[0],cross_input[1],cross_input[2],cyl_direction1.x,cyl_direction1.y,cyl_direction1.z) > 0.99) { cross_input[0] = 1; cross_input[1] = 0; cross_input[2] = 0; } // print_position(make_position(cross_input),"cross input"); double cross_product1[3] = {0,0,0}; vec_prod(cross_product1[0],cross_product1[1],cross_product1[2],cyl_direction1.x,cyl_direction1.y,cyl_direction1.z,cross_input[0],cross_input[1],cross_input[2]); // print_position(make_position(cross_product1),"cross_product1"); double cross_length = length_of_3vector(cross_product1); // printf("cross_length = %f \n",cross_length); cross_product1[0] /= cross_length; cross_product1[1] /= cross_length; cross_product1[2] /= cross_length; cross_product1[0] *= radius1; cross_product1[1] *= radius1; cross_product1[2] *= radius1; Coords circ_point; double radial_position[3],cyl_direction_pointer[3],base_point_vector[3],cyl_radial_direction[3]; cyl_direction_pointer[0] = cyl_direction1.x; cyl_direction_pointer[1] = cyl_direction1.y; cyl_direction_pointer[2] = cyl_direction1.z; int iterate,number_of_solutions,solutions,number_of_positions = 300; double rotate_angle,temp_solution[2]; // printf("length of cyl_direction_pointer = %f \n",length_of_3vector(cyl_direction_pointer)); // Check intersection with cylinder 2 with that point, and cyl_direction, if there is an intersection before height1, they overlap. // Rotate the circumference point around the cyl_direction for a full circle to detect intersections all the way around. // Here cross_product1 is a vector from the base point to a point n the circumference // circ_point is a vector from the base point to the circumference rotated an angle. // radial_position is the actual position on the circumference on the cylinder as a vector from origo. for (iterate = 0;iterate < number_of_positions;iterate++) { rotate_angle = 2*3.14159*((double) iterate)/((double) number_of_positions); rotate(circ_point.x,circ_point.y,circ_point.z,cross_product1[0],cross_product1[1],cross_product1[2],rotate_angle,cyl_direction1.x,cyl_direction1.y,cyl_direction1.z); radial_position[0] = base_point.x + circ_point.x; radial_position[1] = base_point.y + circ_point.y; radial_position[2] = base_point.z + circ_point.z; // sample_cylinder_intersect(double *t,int *num_solutions,double *r,double *v,struct geometry_struct *geometry) { double nx_dummy[2], ny_dummy[2], nz_dummy[2]; int surface_index_dummy[2]; sample_cylinder_intersect(temp_solution, nx_dummy, ny_dummy, nz_dummy, surface_index_dummy, &number_of_solutions,radial_position,cyl_direction_pointer,geometry2); for (solutions = 0;solutions < number_of_solutions;solutions++) { if (temp_solution[solutions] > 0 && temp_solution[solutions] < height1) { // cylinders must overlap. return 1; } } if (number_of_solutions == 2) { if (temp_solution[0] < 0 && temp_solution[1] > 0) return 1; // cylinder 1 inside cylinder 2 if (temp_solution[0] > 0 && temp_solution[1] < 0) return 1; // cylinder 1 inside cylinder 2 } cyl_radial_direction[0] = circ_point.x; cyl_radial_direction[1] = circ_point.y; cyl_radial_direction[2] = circ_point.z; // Note it has length radius1 base_point_vector[0] = base_point.x; base_point_vector[1] = base_point.y; base_point_vector[2] = base_point.z; // The vector circ_point is from the base to the circumference. This is used to check the bottom cap. sample_cylinder_intersect(temp_solution,nx_dummy, ny_dummy, nz_dummy, surface_index_dummy, &number_of_solutions,base_point_vector,cyl_radial_direction,geometry2); for (solutions = 0;solutions < number_of_solutions;solutions++) { if (temp_solution[solutions] > 0 && temp_solution[solutions] < 1) { // cylinders must overlap. return 1; } } if (number_of_solutions == 2) { if (temp_solution[0] < 0 && temp_solution[1] > 0) return 1; // cylinder 1 inside cylinder 2 if (temp_solution[0] > 0 && temp_solution[1] < 0) return 1; // cylinder 1 inside cylinder 2 } // Now check the top base_point_vector[0] = base_point.x + height1*cyl_direction1.x; base_point_vector[1] = base_point.y + height1*cyl_direction1.y; base_point_vector[2] = base_point.z + height1*cyl_direction1.z; // The vector circ_point is from the base to the circumference. This is used to check the bottom cap. sample_cylinder_intersect(temp_solution, nx_dummy, ny_dummy, nz_dummy, surface_index_dummy, &number_of_solutions,base_point_vector,cyl_radial_direction,geometry2); for (solutions = 0;solutions < number_of_solutions;solutions++) { if (temp_solution[solutions] > 0 && temp_solution[solutions] < 1) { // cylinders must overlap. return 1; } } if (number_of_solutions == 2) { if (temp_solution[0] < 0 && temp_solution[1] > 0) return 1; // cylinder 1 inside cylinder 2 if (temp_solution[0] > 0 && temp_solution[1] < 0) return 1; // cylinder 1 inside cylinder 2 } } // The above method is not perfect as it basicly tests a mesh grid of the cylinder aginst another perfect cylinder. // Can be improved. // If the entire perfect cylinder (cylinder 2) is within the meshgrid one, there will not be a solution to anything. // Check with a simple call to r_within_cylinder // r_within_cylinder(double *r,struct geometry_struct *geometry) { // if the center of cylinder 2 is within cylinder 1; if (r_within_cylinder(geometry2->center,geometry1)) return 1; // if cylinder 2 is within cylinder 1, they clearly overlap. return 0; } }; int cylinder_within_cylinder(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Unpack parameters double radius1 = geometry_parent->geometry_parameters.p_cylinder_storage->cyl_radius; double height1 = geometry_parent->geometry_parameters.p_cylinder_storage->height; double radius2 = geometry_child->geometry_parameters.p_cylinder_storage->cyl_radius; double height2 = geometry_child->geometry_parameters.p_cylinder_storage->height; int verbal = 0; // Generate unit direction vector along center axis of cylinders // Start with vector that points along the cylinder in the simple frame, and rotate to global Coords simple_vector = coords_set(0,1,0); Coords vector1,vector2; if (verbal == 1) printf("Cords start_vector = (%f,%f,%f)\n",simple_vector.x,simple_vector.y,simple_vector.z); // Rotate the position of the ray around the center of the cylinder vector1 = rot_apply(geometry_parent->rotation_matrix,simple_vector); if (verbal == 1) printf("Cords vector1 = (%f,%f,%f)\n",vector1.x,vector1.y,vector1.z); // Rotate the position of the ray around the center of the cylinder vector2 = rot_apply(geometry_child->rotation_matrix,simple_vector); if (verbal == 1) printf("Cords vector2 = (%f,%f,%f)\n",vector2.x,vector2.y,vector2.z); // if vector1 and vector2 are parallel, the problem is simple, but if not complicated double cross_product1[3] = {0,0,0}; // printf("%f\n",cross_product1[0]); // vec prod(&ax,&ay,&az,bx,by,bz, cx,cy,cz) vec_prod(cross_product1[0],cross_product1[1],cross_product1[2],vector1.x,vector1.y,vector1.z,vector2.x,vector2.y,vector2.z); // I get an error taking the adress of cross_product1[0], &cross_product1[0]. Took the pointer adresses instead. Works fine. if (verbal == 1) printf("cross_product = (%f,%f,%f)\n",cross_product1[0],cross_product1[1],cross_product1[2]); double cross_product_length = length_of_3vector(cross_product1); if (cross_product_length == 0) { // The cylinders are parallel. int seperated = 0; double delta[3]; delta[0] = geometry_parent->center.x - geometry_child->center.x; delta[1] = geometry_parent->center.y - geometry_child->center.y; delta[2] = geometry_parent->center.z - geometry_child->center.z; // Test for separation by height // if (h0Div2 + h1Div2 − |Dot(W0, Delta )| < 0) seperated = 1; if (verbal == 1) printf("vector1 = (%f,%f,%f)\n",vector1.x,vector1.y,vector2.z); if (verbal == 1) printf("delta1 = (%f,%f,%f)\n",delta[0],delta[1],delta[2]); double scalar_prod1 = scalar_prod(vector1.x,vector1.y,vector1.z,delta[0],delta[1],delta[2]); if (verbal == 1) printf("scalar product = %f \n",scalar_prod1); if (verbal == 1) printf("height 1 = %f, height 2 = %f \n",height1,height2); int inside = 1; if (height1*0.5 < height2*0.5 + fabs(scalar_prod1)) { if (verbal == 1) printf("Cylinder sticks out height wise \n"); inside = 0; } // Test for separation radially // if (rSum − |Delta − Dot(W0,Delta)∗W0| < 0) seperated = 1; double vector_between_cyl_axis[3]; vector_between_cyl_axis[0] = delta[0] - scalar_prod1*vector1.x; vector_between_cyl_axis[1] = delta[1] - scalar_prod1*vector1.y; vector_between_cyl_axis[2] = delta[2] - scalar_prod1*vector1.z; if (verbal == 1) printf("vector_between = (%f,%f,%f)\n",vector_between_cyl_axis[0],vector_between_cyl_axis[1],vector_between_cyl_axis[2]); if (verbal == 1) printf("length of vector between = %f\n",length_of_3vector(vector_between_cyl_axis)); if (verbal == 1) printf("radius1 = %f , radius2=%f\n",radius1,radius2); if (radius1 < radius2 + length_of_3vector(vector_between_cyl_axis)) { // Answers: Does cylinder 2 stick out of cylinder 1? //if (radius1 + length_of_3vector(vector_between_cyl_axis) > radius2 ) { // Answers: Does cylinder 1 stick out of cylinder 2 radially? if (verbal == 1) printf("Cylinder sticks out radially \n"); inside = 0; } if (inside == 0) return 0; else return 1; } else { // printf("The component uses a raytracing method for non parallel cylinders.\n"); // printf(" Make sure not to give this algorithm edge cases, where cylinders just touch.\n"); Coords cyl_direction2 = geometry_child->geometry_parameters.p_cylinder_storage->direction_vector; // The center point of the perfect cylinder (cylinder 2) needs to be within the meshgrid one (cylinder 1), otherwise it can not be within // Check with a simple call to r_within_cylinder // if the center of cylinder 2 is within cylinder 1; if (r_within_cylinder(geometry_child->center,geometry_parent) == 0) return 0; // if cylinder 2 center is not within cylinder 1, it is clearly not within // Doing a simple but not perfect overlap test // Checking cylinder sides. // Taking cylinder 1, making a vector at the base center. Coords base_point; base_point.x = geometry_child->center.x - 0.5*height2*cyl_direction2.x; base_point.y = geometry_child->center.y - 0.5*height2*cyl_direction2.y; base_point.z = geometry_child->center.z - 0.5*height2*cyl_direction2.z; if (verbal==1) print_position(base_point,"Base point position (for inside cylinder)"); // Making a point at the circumference of the bottom circle of the cylinder double cross_input[3] = {0,1,0}; // In case the cross input is parallel with the vector, a new is chosen. Both can't be parallel. if (scalar_prod(cross_input[0],cross_input[1],cross_input[2],cyl_direction2.x,cyl_direction2.y,cyl_direction2.z) > 0.99) { cross_input[0] = 1; cross_input[1] = 0; cross_input[2] = 0; } // print_position(make_position(cross_input),"cross input"); double cross_product1[3] = {0,0,0}; vec_prod(cross_product1[0],cross_product1[1],cross_product1[2],cyl_direction2.x,cyl_direction2.y,cyl_direction2.z,cross_input[0],cross_input[1],cross_input[2]); // print_position(make_position(cross_product1),"cross_product1"); double cross_length = length_of_3vector(cross_product1); // printf("cross_length = %f \n",cross_length); cross_product1[0] /= cross_length; cross_product1[1] /= cross_length; cross_product1[2] /= cross_length; cross_product1[0] *= radius2; cross_product1[1] *= radius2; cross_product1[2] *= radius2; Coords circ_point; double radial_position[3],cyl_direction_pointer[3],base_point_vector[3],cyl_radial_direction[3]; cyl_direction_pointer[0] = cyl_direction2.x; cyl_direction_pointer[1] = cyl_direction2.y; cyl_direction_pointer[2] = cyl_direction2.z; //print_position(coords_set(cyl_direction_pointer[0],cyl_direction_pointer[1],cyl_direction_pointer[2]),"cylinder direction vector"); //print_position(coords_set(cross_product1[0],cross_product1[1],cross_product1[2]),"cross product (before rotation)"); int iterate,number_of_solutions,solutions,number_of_positions = 30; double rotate_angle,temp_solution[2],positive_solution,negative_solution; // printf("length of cyl_direction_pointer = %f \n",length_of_3vector(cyl_direction_pointer)); // Check intersection with cylinder 2 with that point, and cyl_direction, if there is an intersection before height1, they overlap. // Rotate the circumference point around the cyl_direction for a full circle to detect intersections all the way around. // Here cross_product1 is a vector from the base point to a point n the circumference // circ_point is a vector from the base point to the circumference rotated an angle. // radial_position is the actual position on the circumference on the cylinder as a vector from origo. Coords radial_coords,top_coords; for (iterate = 0;iterate < number_of_positions;iterate++) { rotate_angle = 2*3.14159*((double) iterate)/((double) number_of_positions); rotate(circ_point.x,circ_point.y,circ_point.z,cross_product1[0],cross_product1[1],cross_product1[2],rotate_angle,cyl_direction2.x,cyl_direction2.y,cyl_direction2.z); radial_position[0] = base_point.x + circ_point.x; radial_position[1] = base_point.y + circ_point.y; radial_position[2] = base_point.z + circ_point.z; // Debug check radial_coords = coords_add(base_point,circ_point); if (r_within_cylinder(radial_coords,geometry_parent) == 0) { //printf("Radial pointer number %d was not inside cylinder 1 (%f %f %f)\n",iterate,radial_position[0],radial_position[1],radial_position[2]); return 0; } // sample_cylinder_intersect(double *t,int *num_solutions,double *r,double *v,struct geometry_struct *geometry) { double nx_dummy[2], ny_dummy[2], nz_dummy[2]; int surface_index_dummy[2]; sample_cylinder_intersect(temp_solution, nx_dummy, ny_dummy, nz_dummy, surface_index_dummy, &number_of_solutions,radial_position,cyl_direction_pointer,geometry_parent); if (number_of_solutions == 2) { if (temp_solution[0]*temp_solution[1] > 0) { // If both solutions are in the future or past, the point is outside the cylinder if (verbal == 1) printf("Along axis: Not inside, as the solutions have the same sign: %f %f\n",temp_solution[0],temp_solution[1]); return 0; } else { // The solutions have different signs if (temp_solution[0] < 0) { negative_solution = temp_solution[0]; positive_solution = temp_solution[1]; } else { negative_solution = temp_solution[1]; positive_solution = temp_solution[0]; } // If there is a solution before the cylinder ends, cylinder 2 can not be within cylinder 1 if (positive_solution < height2) { if (verbal == 1) printf("Along axis: Not inside, as the positive solutions is less than the cylinder height: %f %f\n",temp_solution[0],temp_solution[1]); if (verbal == 1) printf("Radial position = (%f,%f,%f) \n",radial_position[0],radial_position[1],radial_position[2]); return 0; } } } else { if (verbal == 1) printf("Along axis: 0 or 1 solution!\n"); return 0; // If there are 1 or 0 solutions, the radial position (on cylinder 2) would not be inside cylinder 1 } cyl_radial_direction[0] = circ_point.x; cyl_radial_direction[1] = circ_point.y; cyl_radial_direction[2] = circ_point.z; // Note it has length radius1 // Debug check if (r_within_cylinder(base_point,geometry_parent) == 0) { //printf("Base point number %d was not inside cylinder 1 (%f %f %f)\n",iterate,base_point_vector[0],base_point_vector[1],base_point_vector[2]); return 0; } // Base point in vector notation needed for intersect function. base_point_vector[0] = base_point.x; base_point_vector[1] = base_point.y; base_point_vector[2] = base_point.z; // The vector circ_point is from the base to the circumference. This is used to check the bottom cap. sample_cylinder_intersect(temp_solution, nx_dummy, ny_dummy, nz_dummy, surface_index_dummy, &number_of_solutions,base_point_vector,cyl_radial_direction,geometry_parent); if (number_of_solutions == 2) { if (temp_solution[0]*temp_solution[1] > 0) { // If both solutions are in the future or past, the point is outside the cylinder if (verbal == 1) printf("Radial bottom: Not inside, as the solutions have the same sign: %f %f\n",temp_solution[0],temp_solution[1]); return 0; } else { // The solutions have different signs if (temp_solution[0] < 0) { negative_solution = temp_solution[0]; positive_solution = temp_solution[1]; } else { negative_solution = temp_solution[1]; positive_solution = temp_solution[0]; } // If there is a solution before the line reaches the circumference from the center, cylinder 2 can not be within cylinder 1 if (positive_solution < 1 || negative_solution > -1) { if (verbal == 1) printf("Radial bottom: Not inside, as the positive solutions is less than the cylinder radius: %f %f\n",temp_solution[0],temp_solution[1]); return 0; } } } else { if (verbal == 1) printf("Radially bottom: 0 or 1 solution!\n"); if (verbal == 1) print_position(circ_point,"current circ point"); if (verbal == 1) print_position(coords_set(cyl_radial_direction[0],cyl_radial_direction[1],cyl_radial_direction[2]),"current cyl_radial_direction (should be same as above)"); return 0; // If there are 1 or 0 solutions, the radial position (on cylinder 2) would not be inside cylinder 1 } // Now check the top base_point_vector[0] = base_point.x + height2*cyl_direction2.x; base_point_vector[1] = base_point.y + height2*cyl_direction2.y; base_point_vector[2] = base_point.z + height2*cyl_direction2.z; top_coords = coords_set(base_point_vector[0],base_point_vector[1],base_point_vector[2]); // Debug check if (r_within_cylinder(top_coords,geometry_parent) == 0) { //printf("Top point number %d was not inside cylinder 1 (%f %f %f)\n",iterate,base_point_vector[0],base_point_vector[1],base_point_vector[2]); return 0; } // The vector circ_point is from the base to the circumference. This is used to check the bottom cap. sample_cylinder_intersect(temp_solution, nx_dummy, ny_dummy, nz_dummy, surface_index_dummy, &number_of_solutions,base_point_vector,cyl_radial_direction,geometry_parent); if (number_of_solutions == 2) { if (temp_solution[0]*temp_solution[1] > 0) { // If both solutions are in the future or past, the point is outside the cylinder if (verbal == 1) printf("Radial top: Not inside, as the solutions have the same sign: %f %f\n",temp_solution[0],temp_solution[1]); return 0; } else { // The solutions have different signs if (temp_solution[0] < 0) { negative_solution = temp_solution[0]; positive_solution = temp_solution[1]; } else { negative_solution = temp_solution[1]; positive_solution = temp_solution[0]; } // If there is a solution before the line reaches the circumference from the center, cylinder 2 can not be within cylinder 1 if (positive_solution < 1 || negative_solution > -1) { if (verbal == 1) printf("Radial top: Not inside, as the positive solutions is less than the cylinder radius: %f %f\n",temp_solution[0],temp_solution[1]); return 0; } } } else { if (verbal == 1) printf("Radially top: 0 or 1 solution!\n"); return 0; // If there are 1 or 0 solutions, the radial position (on cylinder 2) would not be inside cylinder 1 } } // The above method is not perfect as it basicly tests a mesh grid of the cylinder aginst another perfect cylinder. // Can be improved. // If no intersections is found and the center of cylinder 2 is within cylinder 1, cylinder 2 must be within cylinder 1. return 1; } }; int cylinder_within_cylinder_backup(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { //int cylinder_within_cylinder(struct geometry_struct *geometry_parent,struct geometry_struct *geometry_child) { // Unpack parameters double radius1 = geometry_parent->geometry_parameters.p_cylinder_storage->cyl_radius; double height1 = geometry_parent->geometry_parameters.p_cylinder_storage->height; double radius2 = geometry_child->geometry_parameters.p_cylinder_storage->cyl_radius; double height2 = geometry_child->geometry_parameters.p_cylinder_storage->height; int verbal = 1; // Generate unit direction vector along center axis of cylinders // Start with vector that points along the cylinder in the simple frame, and rotate to global Coords simple_vector = coords_set(0,1,0); Coords vector1,vector2; if (verbal == 1) printf("Cords start_vector = (%f,%f,%f)\n",simple_vector.x,simple_vector.y,simple_vector.z); // Rotate the position of the ray around the center of the cylinder vector1 = rot_apply(geometry_parent->rotation_matrix,simple_vector); if (verbal == 1) printf("Cords vector1 = (%f,%f,%f)\n",vector1.x,vector1.y,vector1.z); // Rotate the position of the ray around the center of the cylinder vector2 = rot_apply(geometry_child->rotation_matrix,simple_vector); if (verbal == 1) printf("Cords vector2 = (%f,%f,%f)\n",vector2.x,vector2.y,vector2.z); // if vector1 and vector2 are parallel, the problem is simple, but if not complicated double cross_product1[3] = {0,0,0}; // printf("%f\n",cross_product1[0]); // vec prod(&ax,&ay,&az,bx,by,bz, cx,cy,cz) vec_prod(cross_product1[0],cross_product1[1],cross_product1[2],vector1.x,vector1.y,vector1.z,vector2.x,vector2.y,vector2.z); // I get an error taking the adress of cross_product1[0], &cross_product1[0]. Took the pointer adresses instead. Works fine. if (verbal == 1) printf("cross_product = (%f,%f,%f)\n",cross_product1[0],cross_product1[1],cross_product1[2]); double cross_product_length = length_of_3vector(cross_product1); if (cross_product_length == 0) { // The cylinders are parallel. int seperated = 0; double delta[3]; delta[0] = geometry_parent->center.x - geometry_child->center.x; delta[1] = geometry_parent->center.y - geometry_child->center.y; delta[2] = geometry_parent->center.z - geometry_child->center.z; // Test for separation by height // if (h0Div2 + h1Div2 − |Dot(W0, Delta )| < 0) seperated = 1; if (verbal == 1) printf("vector1 = (%f,%f,%f)\n",vector1.x,vector1.y,vector2.z); if (verbal == 1) printf("delta1 = (%f,%f,%f)\n",delta[0],delta[1],delta[2]); double scalar_prod1 = scalar_prod(vector1.x,vector1.y,vector1.z,delta[0],delta[1],delta[2]); if (verbal == 1) printf("scalar product = %f \n",scalar_prod1); if (verbal == 1) printf("height 1 = %f, height 2 = %f \n",height1,height2); int inside = 1; if (height1*0.5 < height2*0.5 + fabs(scalar_prod1)) { if (verbal == 1) printf("Cylinder sticks out height wise \n"); inside = 0; } // Test for separation radially // if (rSum − |Delta − Dot(W0,Delta)∗W0| < 0) seperated = 1; double vector_between_cyl_axis[3]; vector_between_cyl_axis[0] = delta[0] - scalar_prod1*vector1.x; vector_between_cyl_axis[1] = delta[1] - scalar_prod1*vector1.y; vector_between_cyl_axis[2] = delta[2] - scalar_prod1*vector1.z; if (verbal == 1) printf("vector_between = (%f,%f,%f)\n",vector_between_cyl_axis[0],vector_between_cyl_axis[1],vector_between_cyl_axis[2]); if (verbal == 1) printf("length of vector between = %f\n",length_of_3vector(vector_between_cyl_axis)); if (verbal == 1) printf("radius1 = %f , radius2=%f\n",radius1,radius2); if (radius1 < radius2 + length_of_3vector(vector_between_cyl_axis)) { // Answers: Does cylinder 2 stick out of cylinder 1? //if (radius1 + length_of_3vector(vector_between_cyl_axis) > radius2 ) { // Answers: Does cylinder 1 stick out of cylinder 2 radially? if (verbal == 1) printf("Cylinder sticks out radially \n"); inside = 0; } if (inside == 0) return 0; else return 1; } else { // printf("The component uses a raytracing method for non parallel cylinders.\n"); // printf(" Make sure not to give this algorithm edge cases, where cylinders just touch.\n"); Coords cyl_direction1 = geometry_parent->geometry_parameters.p_cylinder_storage->direction_vector; // The center point of the perfect cylinder (cylinder 2) needs to be within the meshgrid one (cylinder 1), otherwise it can not be within // Check with a simple call to r_within_cylinder // if the center of cylinder 2 is within cylinder 1; if (r_within_cylinder(geometry_child->center,geometry_parent) == 0) return 0; // if cylinder 2 center is not within cylinder 1, it is clearly not within // Doing a simple but not perfect overlap test // Checking cylinder sides. // Taking cylinder 1, making a vector at the base center. Coords base_point; base_point.x = geometry_parent->center.x - 0.5*height1*cyl_direction1.x; base_point.y = geometry_parent->center.y - 0.5*height1*cyl_direction1.y; base_point.z = geometry_parent->center.z - 0.5*height1*cyl_direction1.z; // Making a point at the circumference of the bottom circle of the cylinder double cross_input[3] = {0,1,0}; // In case the cross input is parallel with the vector, a new is chosen. Both can't be parallel. if (scalar_prod(cross_input[0],cross_input[1],cross_input[2],cyl_direction1.x,cyl_direction1.y,cyl_direction1.z) > 0.99) { cross_input[0] = 1; cross_input[1] = 0; cross_input[2] = 0; } // print_position(make_position(cross_input),"cross input"); double cross_product1[3] = {0,0,0}; vec_prod(cross_product1[0],cross_product1[1],cross_product1[2],cyl_direction1.x,cyl_direction1.y,cyl_direction1.z,cross_input[0],cross_input[1],cross_input[2]); // print_position(make_position(cross_product1),"cross_product1"); double cross_length = length_of_3vector(cross_product1); // printf("cross_length = %f \n",cross_length); cross_product1[0] /= cross_length; cross_product1[1] /= cross_length; cross_product1[2] /= cross_length; cross_product1[0] *= radius1; cross_product1[1] *= radius1; cross_product1[2] *= radius1; Coords circ_point; double radial_position[3],cyl_direction_pointer[3],base_point_vector[3],cyl_radial_direction[3]; cyl_direction_pointer[0] = cyl_direction1.x; cyl_direction_pointer[1] = cyl_direction1.y; cyl_direction_pointer[2] = cyl_direction1.z; print_position(make_position(cyl_direction_pointer),"cylinder direction vector"); int iterate,number_of_solutions,solutions,number_of_positions = 30; double rotate_angle,temp_solution[2]; // printf("length of cyl_direction_pointer = %f \n",length_of_3vector(cyl_direction_pointer)); // Check intersection with cylinder 2 with that point, and cyl_direction, if there is an intersection before height1, they overlap. // Rotate the circumference point around the cyl_direction for a full circle to detect intersections all the way around. // Here cross_product1 is a vector from the base point to a point n the circumference // circ_point is a vector from the base point to the circumference rotated an angle. // radial_position is the actual position on the circumference on the cylinder as a vector from origo. for (iterate = 0;iterate < number_of_positions;iterate++) { rotate_angle = 2*3.14159*((double) iterate)/((double) number_of_positions); rotate(circ_point.x,circ_point.y,circ_point.z,cross_product1[0],cross_product1[1],cross_product1[2],rotate_angle,cyl_direction1.x,cyl_direction1.y,cyl_direction1.z); radial_position[0] = base_point.x + circ_point.x; radial_position[1] = base_point.y + circ_point.y; radial_position[2] = base_point.z + circ_point.z; // sample_cylinder_intersect(double *t,int *num_solutions,double *r,double *v,struct geometry_struct *geometry) { double nx_dummy[2], ny_dummy[2], nz_dummy[2]; int surface_index_dummy[2]; sample_cylinder_intersect(temp_solution, nx_dummy, ny_dummy, nz_dummy, surface_index_dummy, &number_of_solutions,radial_position,cyl_direction_pointer,geometry_child); for (solutions = 0;solutions < number_of_solutions;solutions++) { if (temp_solution[solutions] > 0 && temp_solution[solutions] < height1) { // cylinders must overlap. return 0; } } // if (number_of_solutions == 2) { // if (temp_solution[0] < 0 && temp_solution[1] < 0) return 0; // cylinder 2 outside cylinder 1 // if (temp_solution[0] > 0 && temp_solution[1] > 0) return 0; // cylinder 2 outside cylinder 1 //} cyl_radial_direction[0] = circ_point.x; cyl_radial_direction[1] = circ_point.y; cyl_radial_direction[2] = circ_point.z; // Note it has length radius1 base_point_vector[0] = base_point.x; base_point_vector[1] = base_point.y; base_point_vector[2] = base_point.z; // The vector circ_point is from the base to the circumference. This is used to check the bottom cap. sample_cylinder_intersect(temp_solution, nx_dummy, ny_dummy, nz_dummy, surface_index_dummy, &number_of_solutions,base_point_vector,cyl_radial_direction,geometry_child); for (solutions = 0;solutions < number_of_solutions;solutions++) { if (temp_solution[solutions] > 0 && temp_solution[solutions] < 1) { // cylinders must overlap. return 0; } } // if (number_of_solutions == 2) { // if (temp_solution[0] < 0 && temp_solution[1] < 0) return 0; // cylinder 2 outside cylinder 1 // if (temp_solution[0] > 0 && temp_solution[1] > 0) return 0; // cylinder 2 outside cylinder 1 //} // Now check the top base_point_vector[0] = base_point.x + height1*cyl_direction1.x; base_point_vector[1] = base_point.y + height1*cyl_direction1.y; base_point_vector[2] = base_point.z + height1*cyl_direction1.z; // The vector circ_point is from the base to the circumference. This is used to check the bottom cap. sample_cylinder_intersect(temp_solution, nx_dummy, ny_dummy, nz_dummy, surface_index_dummy, &number_of_solutions,base_point_vector,cyl_radial_direction,geometry_child); for (solutions = 0;solutions < number_of_solutions;solutions++) { if (temp_solution[solutions] > 0 && temp_solution[solutions] < 1) { // cylinders must overlap. return 0; } } // if (number_of_solutions == 2) { // if (temp_solution[0] < 0 && temp_solution[1] < 0) return 0; // cylinder 2 outside cylinder 1 // if (temp_solution[0] > 0 && temp_solution[1] > 0) return 0; // cylinder 2 outside cylinder 1 //} } // The above method is not perfect as it basicly tests a mesh grid of the cylinder aginst another perfect cylinder. // Can be improved. // If no intersections is found and the center of cylinder 2 is within cylinder 1, cylinder 2 must be within cylinder 1. return 1; } }; int cone_overlaps_cone(struct geometry_struct *geometry1,struct geometry_struct *geometry2) { // Overlap function should return 1 if the to geometries both cover some volume // Temporary function // Load Variables: Coords direction_1 = geometry1->geometry_parameters.p_cone_storage->direction_vector; Coords center_1 = geometry1->center; double radius_top_1 = geometry1->geometry_parameters.p_cone_storage->cone_radius_top; double radius_bottom_1 = geometry1->geometry_parameters.p_cone_storage->cone_radius_bottom; double height_1 = geometry1->geometry_parameters.p_cone_storage->height; Coords direction_2 = geometry2->geometry_parameters.p_cone_storage->direction_vector; Coords center_2 = geometry2->center; double radius_top_2 = geometry2->geometry_parameters.p_cone_storage->cone_radius_top; double radius_bottom_2 = geometry2->geometry_parameters.p_cone_storage->cone_radius_bottom; double height_2 = geometry2->geometry_parameters.p_cone_storage->height; double Y; double max_r; // // Simple test to see if they are far away (with smallest spheres outside) // Create Spheres /* Y = -(0.5*height_1)-(radius_top_1*radius_top_1-radius_bottom_1*radius_bottom_1)/(2.0*height_1); if (radius_top_1 > radius_bottom_1){ max_r = radius_top_1; }else{ max_r = radius_bottom_1; } double sphere_1_radius = sqrt((Y+0.5*height_1)*(Y+0.5*height_1)+max_r*max_r); Coords sphere_1_pos = coords_set(center_1.x+direction_1.x*Y,center_1.y+direction_1.y*Y,center_1.z+direction_1.z*Y); */ // Not sure above works, writing own version. double dist_above_bottom = 0.5*(radius_top_1*radius_top_1+height_1*height_1-radius_bottom_1*radius_bottom_1)/height_1; double dist_from_center = dist_above_bottom - 0.5*height_1; Coords sphere_1_pos = coords_set(center_1.x+direction_1.x*dist_from_center, center_1.y+direction_1.y*dist_from_center, center_1.z+direction_1.z*dist_from_center); double sphere_1_radius = sqrt(radius_bottom_1*radius_bottom_1+dist_above_bottom*dist_above_bottom); /* Y = -(0.5*height_2)-(radius_top_2*radius_top_2-radius_bottom_2*radius_bottom_2)/(2.0*height_2); if (radius_top_2 > radius_bottom_2){ max_r = radius_top_2; }else{ max_r = radius_bottom_2; } double sphere_2_radius = sqrt((Y+0.5*height_2)*(Y+0.5*height_2)+max_r*max_r); Coords sphere_2_pos = coords_set(center_2.x+direction_2.x*Y,center_2.y+direction_2.y*Y,center_2.z+direction_2.z*Y); */ dist_above_bottom = 0.5*(radius_top_2*radius_top_2+height_2*height_2-radius_bottom_2*radius_bottom_2)/height_2; dist_from_center = dist_above_bottom - 0.5*height_2; Coords sphere_2_pos = coords_set(center_2.x+direction_2.x*dist_from_center, center_2.y+direction_2.y*dist_from_center, center_2.z+direction_2.z*dist_from_center); double sphere_2_radius = sqrt(radius_bottom_2*radius_bottom_2+dist_above_bottom*dist_above_bottom); // Test if spheres are too long apart to have any chance of intersecting double dist_spheres = sqrt((sphere_1_pos.x-sphere_2_pos.x)*(sphere_1_pos.x-sphere_2_pos.x)+(sphere_1_pos.y-sphere_2_pos.y)*(sphere_1_pos.y-sphere_2_pos.y)+(sphere_1_pos.z-sphere_2_pos.z)*(sphere_1_pos.z-sphere_2_pos.z)); if (dist_spheres > sphere_1_radius + sphere_2_radius){ //printf("\nSpherical method determined that cones are too far away for intersection to be relevant\n"); return 0; } // // Simple test to see if they are inside (with largest spheres inside) // Brute force in two steps. // 1. Check if any points on 1 lies within 2 // 2. Check if any transversal lines on the mesh of 1 intersects with 2 // Calculate needed information Coords cone_1_bottom_point = coords_add(center_1,coords_scalar_mult(direction_1,-0.5*height_1)); Coords cone_1_top_point = coords_add(center_1,coords_scalar_mult(direction_1,0.5*height_1)); Coords cone_2_bottom_point = coords_add(center_2,coords_scalar_mult(direction_2,-0.5*height_2)); Coords cone_2_top_point = coords_add(center_2,coords_scalar_mult(direction_2,0.5*height_2)); // Create two circles for both geometries int resoultuion = 500; struct pointer_to_1d_coords_list cone_1_points = geometry1->shell_points(geometry1,resoultuion); //points_on_circle(cone_1_top,cone_1_top_point,direction_1,radius_top_1,resoultuion); //points_on_circle(cone_1_bottom,cone_1_bottom_point,direction_1,radius_bottom_1,resoultuion); //printf("\nTEST\n"); int i; // Test geometry 1 points inside geometry 2 for (i = 0 ; i < cone_1_points.num_elements ; i++){ if (r_within_cone(cone_1_points.elements[i],geometry2) == 1){ //printf("\nOne point on cone 1 is inside cone 2\n"); return 1; } } struct pointer_to_1d_coords_list cone_2_points = geometry2->shell_points(geometry2,resoultuion); // Test geometry 2 points inside geometry 1 for (i = 0 ; i < cone_2_points.num_elements ; i++){ if (r_within_cone(cone_2_points.elements[i],geometry1) == 1){ //printf("\nOne point on cone 2 is inside cone 1\n"); return 1; } } // Test 1 within 2 // // Test if there is any intersection (intersection function or eqation?) // This is an implementation of brute force. Maybe do this with a calculated function? int circ_resolution = 50; // how many lines will the be checked for int height_resolution = 150; double length_of_cone_side_1 = sqrt(pow(radius_top_1-radius_bottom_1,2)+pow(height_1,2)); double length_of_cone_side_2 = sqrt(pow(radius_top_2-radius_bottom_2,2)+pow(height_2,2)); double slope_1 = (radius_top_1-radius_bottom_1)/height_1; double slope_2 = (radius_top_2-radius_bottom_2)/height_2; double local_radius; Coords cone_1_direction = geometry1->geometry_parameters.p_cone_storage->direction_vector; Coords cone_2_direction = geometry2->geometry_parameters.p_cone_storage->direction_vector; //printf("\nlength_of_cone_side_1 = %f\n",length_of_cone_side_1); Coords circ_points[50]; double circ_offset; Coords circ_center; int j; for (i = 0 ; i < height_resolution ; i++){ // Calculate circ offset //circ_offset = i * length_of_cone_side_1 / height_resolution; // Possible bug circ_offset = i * height_1 / height_resolution; // Calculate middle point circ_center = coords_add(cone_1_bottom_point,coords_set(cone_1_direction.x * circ_offset,cone_1_direction.y * circ_offset,cone_1_direction.z * circ_offset)); // Calculate radius local_radius = circ_offset * slope_1 + radius_bottom_1; // Make points on circle //printf("points on circle: circ_center = [%f,%f,%f] , cone_1_direction = [%f,%f,%f] , local_radius = %f , circ_resolution = %i",circ_center.x,circ_center.y,circ_center.z,cone_1_direction.x,cone_1_direction.y,cone_1_direction.z,local_radius,circ_resolution); points_on_circle(circ_points,circ_center,cone_1_direction,local_radius,circ_resolution); // Test if any points lies within geomtry 2 for (j = 0 ; j < circ_resolution; j++){ //printf("\ntested if point [%i] [%f,%f,%f] is inside",j,circ_points[j].x,circ_points[j].y,circ_points[j].z); if (r_within_cone(circ_points[j],geometry2) == 1){ //printf("\nOne point on cone 1 is inside cone 2\n"); return 1; } } } for (i = 0 ; i < height_resolution ; i++){ // Calculate circ offset // circ_offset = i * length_of_cone_side_1 / height_resolution; // Possible bug circ_offset = i * height_2 / height_resolution; // Possible bug // Calculate middle point circ_center = coords_add(cone_2_bottom_point,coords_set(cone_2_direction.x * circ_offset,cone_2_direction.y * circ_offset,cone_2_direction.z * circ_offset)); // Calculate radius local_radius = circ_offset * slope_2 + radius_bottom_2; // Make points on circle //printf("points on circle: circ_center = [%f,%f,%f] , cone_1_direction = [%f,%f,%f] , local_radius = %f , circ_resolution = %i",circ_center.x,circ_center.y,circ_center.z,cone_2_direction.x,cone_2_direction.y,cone_2_direction.z,local_radius,circ_resolution); points_on_circle(circ_points,circ_center,cone_2_direction,local_radius,circ_resolution); // Test if any points lies within geomtry 2 for (j = 0 ; j < circ_resolution; j++){ //printf("\ntested if point [%i] [%f,%f,%f] is inside",j,circ_points[j].x,circ_points[j].y,circ_points[j].z); if (r_within_cone(circ_points[j],geometry1) == 1){ //printf("\nOne point on cone 2 is inside cone 1\n"); return 1; } } } return 0; }; int cone_within_cone(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Function returns 1 if the cone is completely within the cylinder, 0 otherwise // Brute force place holder return A_within_B(geometry_child,geometry_parent,(int) 300); // 150 points on each end cap }; int mesh_overlaps_mesh(struct geometry_struct *geometry1,struct geometry_struct *geometry2) { // Overlap function should return 1 if the to geometries both cover some volume // Temporary function // Brute force check if there is one point of geometry 1 in 2 and 2 in 1. // Should also have a secondary check with edges intersecting on faces. // Could be made faster with a bounding box (or sphere) // Load Variables: struct pointer_to_1d_coords_list shell_points1 = geometry1->shell_points(geometry1,144); struct pointer_to_1d_coords_list shell_points2 = geometry2->shell_points(geometry2,144); int i; for (i = 0 ; i < shell_points1.num_elements ; i++){ if (geometry2->within_function(shell_points1.elements[i],geometry2)){ free(shell_points1.elements); free(shell_points2.elements); return 1; } } for (i = 0 ; i < shell_points2.num_elements ; i++){ if (geometry1->within_function(shell_points2.elements[i],geometry1)){ free(shell_points1.elements); free(shell_points2.elements); return 1; } } free(shell_points1.elements); free(shell_points2.elements); return 0; }; int mesh_within_box(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Function returns 1 if the cone is completely within the cylinder, 0 otherwise // Brute force place holder return mesh_A_within_B(geometry_child,geometry_parent); // 30 points on each end cap }; int box_within_mesh(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Function returns 1 if the cone is completely within the cylinder, 0 otherwise // Brute force place holder return mesh_A_within_B(geometry_child,geometry_parent); // 30 points on each end cap }; int mesh_within_sphere(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Function returns 1 if the cone is completely within the cylinder, 0 otherwise // Brute force place holder return mesh_A_within_B(geometry_child,geometry_parent); // 30 points on each end cap }; int sphere_within_mesh(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Function returns 1 if the cone is completely within the cylinder, 0 otherwise // Brute force place holder return mesh_A_within_B(geometry_child,geometry_parent); // 30 points on each end cap }; int cone_within_mesh(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Function returns 1 if the cone is completely within the cylinder, 0 otherwise // Brute force place holder return mesh_A_within_B(geometry_child,geometry_parent); // 30 points on each end cap }; int mesh_within_cone(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Function returns 1 if the cone is completely within the cylinder, 0 otherwise // Brute force place holder return mesh_A_within_B(geometry_child,geometry_parent); // 30 points on each end cap }; int mesh_within_cylinder(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Function returns 1 if the cone is completely within the cylinder, 0 otherwise // Brute force place holder return mesh_A_within_B(geometry_child,geometry_parent); // 30 points on each end cap }; int cylinder_within_mesh(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Function returns 1 if the cone is completely within the cylinder, 0 otherwise // Brute force place holder return mesh_A_within_B(geometry_child,geometry_parent); // 30 points on each end cap }; int mesh_within_mesh(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // WARNING: This may fail as one or both of the meshes may not be convex // Function returns 1 if the cone is completely within the cylinder, 0 otherwise // Brute force place holder return mesh_A_within_B(geometry_child,geometry_parent); // 30 points on each end cap }; // ------------- Overlap functions for two different geometries -------------------------------- int box_overlaps_cylinder(struct geometry_struct *geometry_box,struct geometry_struct *geometry_cyl) { // Checking if the box and cylinder described by geometry_box and geometry_cyl overlaps. // Done in steps: // If any corner points of the box is within the cylinder, they do overlap // If any points on the cylinders end caps are within the box, they do overlap // If any of the lines describing the sides of the box intersect the cylinder, they do overlap // If the symmetry line of the cylinder intersect the box, they do overlap // If none of the above are true, they do not overlap // A problem with this algorithm is a lack of a quick exit if the volumes obviously does not overlap // Generate coordinates of corners of box Coords corner_points[8]; box_corners_global_frame(corner_points,geometry_box); // Check earch corner seperatly int iterate; for (iterate=0;iterate<8;iterate++) { if (geometry_cyl->within_function(corner_points[iterate],geometry_cyl) == 1) { return 1; // If a corner of the box is inside the cylinder, the two volumes overlap } } Coords cyl_direction = geometry_cyl->geometry_parameters.p_cylinder_storage->direction_vector; Coords center = geometry_cyl->center; double radius = geometry_cyl->geometry_parameters.p_cylinder_storage->cyl_radius; double height = geometry_cyl->geometry_parameters.p_cylinder_storage->height; Coords cyl_top_point = coords_add(center,coords_scalar_mult(cyl_direction,0.5*height)); Coords cyl_bottom_point = coords_add(center,coords_scalar_mult(cyl_direction,-0.5*height)); // Generate 100 points on the circle describing the top of the cylinder Coords *circle_point_array; int number_of_points = 150; circle_point_array = malloc(number_of_points * sizeof(Coords)); if (!circle_point_array) { fprintf(stderr,"Failure allocating list in Union function box_overlaps_cylinder - Exit!\n"); exit(EXIT_FAILURE); } points_on_circle(circle_point_array,cyl_top_point,cyl_direction,radius,number_of_points); // Check parts of cylinder top seperatly for (iterate=0;iteratewithin_function(circle_point_array[iterate],geometry_box) == 1) { return 1; // If part of the cylinder is inside the box, the volumes overlap } } // Check parts of cylinder bottom seperatly points_on_circle(circle_point_array,cyl_bottom_point,cyl_direction,radius,number_of_points); for (iterate=0;iteratewithin_function(circle_point_array[iterate],geometry_box) == 1) { return 1; // If part of the cylinder is inside the box, the volumes overlap } } free(circle_point_array); // Check intersections for the lines between the corners of the box and the cylinder // 12 sides to a box, if any one of them intersects, the volumes overlaps for (iterate=0;iterate<3;iterate++) { // if (existence_of_intersection(corner_points[iterate],corner_points[iterate+1],geometry_cyl) == 1) return 1; } if (existence_of_intersection(corner_points[3],corner_points[0],geometry_cyl) == 1) return 1; for (iterate=4;iterate<7;iterate++) { if (existence_of_intersection(corner_points[iterate],corner_points[iterate+1],geometry_cyl) == 1) return 1; } if (existence_of_intersection(corner_points[7],corner_points[4],geometry_cyl) == 1) return 1; for (iterate=0;iterate<4;iterate++) { if (existence_of_intersection(corner_points[iterate],corner_points[iterate+4],geometry_cyl) == 1) return 1; } // Only need to test the intersection between the symetry line of the cylinder and the box if (existence_of_intersection(cyl_top_point,cyl_bottom_point,geometry_box) == 1) return 1; // If all the tests change, the volumes do not overlap return 0; }; int cylinder_overlaps_box(struct geometry_struct *geometry_cyl,struct geometry_struct *geometry_box) { // overlap functions are symetrical, but it is convinient to have both defined return box_overlaps_cylinder(geometry_box,geometry_cyl); }; int cylinder_overlaps_sphere(struct geometry_struct *geometry_cyl,struct geometry_struct *geometry_sph) { // If the sphere center is inside, one can exit fast Coords sph_center = geometry_sph->center; if (geometry_cyl->within_function(sph_center,geometry_cyl) == 1) return 1; // If cylinder center is inside, one can exit fast Coords cyl_center = geometry_cyl->center; if (geometry_sph->within_function(cyl_center,geometry_sph) == 1) return 1; double cyl_radius = geometry_cyl->geometry_parameters.p_cylinder_storage->cyl_radius; double cyl_height = geometry_cyl->geometry_parameters.p_cylinder_storage->height; Coords cyl_direction = geometry_cyl->geometry_parameters.p_cylinder_storage->direction_vector; // Or cylinder top / bottom point Coords cyl_top_point = coords_add(cyl_center,coords_scalar_mult(cyl_direction,0.5*cyl_height)); if (geometry_sph->within_function(cyl_top_point,geometry_sph) == 1) return 1; Coords cyl_bottom_point = coords_add(cyl_center,coords_scalar_mult(cyl_direction,-0.5*cyl_height)); if (geometry_sph->within_function(cyl_bottom_point,geometry_sph) == 1) return 1; // Calculate distance double distance = distance_between(geometry_cyl->center,geometry_sph->center); double sph_radius = geometry_sph->geometry_parameters.p_sphere_storage->sph_radius; // Return 0 if the bounding sphere and the sphere do not overlap, otherwise do brute force if (distance > sph_radius + sqrt(cyl_radius*cyl_radius+0.25*cyl_height*cyl_height)) return 0; // Could check "inner sphere" of cylinder against sphere, if they overlap, the geometries overlap if (cyl_height >= 2.0*cyl_radius) { if (distance < sph_radius + cyl_radius) return 1; } else { if (distance < sph_radius + 0.5*cyl_height) return 1; } // Projection method // Find the distance between cylinder and sphere perpendicular to the cylinder direction. Coords difference = coords_sub(sph_center,cyl_center); // projection is simple as the cylinder direction vector is a normal vector Coords projection = coords_scalar_mult(cyl_direction,union_coords_dot(difference,cyl_direction)); Coords perpendicular = coords_sub(difference,projection); if (length_of_position_vector(perpendicular) > sph_radius + cyl_radius) return 0; // Brute force // Consider enlarging the sphere slightly to decrease the probability for false negatives // at the cost of some false positives. This is acceptable as false positives will not // have any severe effect, but false negatives causes errors. // Random tests shows no issues with this approach, false negatives disapeared. struct sphere_storage temp_sph_storage; temp_sph_storage.sph_radius = 1.02*sph_radius; struct geometry_struct temp_sph; temp_sph.geometry_parameters.p_sphere_storage = &temp_sph_storage; temp_sph.center = geometry_sph->center; // temp_sph is not fully initialized, it just has geometrical information struct pointer_to_1d_coords_list shell_points; shell_points = geometry_sph->shell_points(&temp_sph,300*300); // using 300 rings with 300 points, works but is slow //shell_points = geometry_sph->shell_points(&temp_sph,70*70); // using 50 rings with 50 points //shell_points = geometry_sph->shell_points(&temp_sph,50*50); // using 50 rings with 50 points int iterate; for (iterate=0;iteratewithin_function(shell_points.elements[iterate],geometry_cyl) == 1) { free(shell_points.elements); return 1; } } free(shell_points.elements); shell_points = geometry_cyl->shell_points(geometry_cyl,400); // 200 on each ring for (iterate=0;iteratewithin_function(shell_points.elements[iterate],&temp_sph) == 1) { free(shell_points.elements); return 1; } } free(shell_points.elements); return 0; /* // Using the actual sphere size and position struct pointer_to_1d_coords_list shell_points; shell_points = geometry_sph->shell_points(geometry_sph,250000); // using 500 rings with 500 points int iterate; for (iterate=0;iteratewithin_function(shell_points.elements[iterate],geometry_cyl) == 1) { free(shell_points.elements); return 1; } } free(shell_points.elements); shell_points = geometry_cyl->shell_points(geometry_cyl,400); // 200 on each ring for (iterate=0;iteratewithin_function(shell_points.elements[iterate],geometry_sph) == 1) { free(shell_points.elements); return 1; } } free(shell_points.elements); return 0; */ }; int box_overlaps_sphere(struct geometry_struct *geometry_box,struct geometry_struct *geometry_sph) { //printf("\n checking sphere center in box\n"); // If the sphere center is inside box, one can exit fast Coords sph_center = geometry_sph->center; if (geometry_box->within_function(sph_center,geometry_box) == 1) return 1; //printf("\n checking box center in sphere\n"); // If the box center is inside sphere, one can exit fast Coords box_center = geometry_box->center; if (geometry_sph->within_function(box_center,geometry_sph) == 1) return 1; // Check if box corners are inside the sphere int iterate; struct pointer_to_1d_coords_list shell_points; shell_points = geometry_box->shell_points(geometry_box,8); for (iterate=0;iteratewithin_function(shell_points.elements[iterate],geometry_sph) == 1) { free(shell_points.elements); return 1; } } free(shell_points.elements); // Can not find elegant solution to this problem. Will use brute force. // Before brute forcing, find negative solutions for obvious cases. // Use circle - circle overlap algorithm, find bounding circle for box. //printf("\n checking bounding sphere approach\n"); Coords corner_ps[8]; double this_length,max_length = 0; box_corners_local_frame(corner_ps,geometry_box); // Local frame: center in (0,0,0) for (iterate=0;iterate<8;iterate++) { this_length = length_of_position_vector(corner_ps[iterate]); if (this_length > max_length) max_length = this_length; } // Box has a bounding circle with radius max_length and it's normal center. //printf("bounding sphere for box has radius = %f \n",max_length); double radius = geometry_sph->geometry_parameters.p_sphere_storage->sph_radius; // Calculate distance double distance = distance_between(geometry_box->center,geometry_sph->center); // Return 0 if the bounding sphere and the sphere do not overlap, otherwise do brute force if (distance > radius + max_length) { //printf("\n Bounding sphere avoided brute force method in sphere / box overlap\n"); return 0; } //printf("\n doing brute force method in box overlaps sphere\n"); // Brute force // Slightly increase size of the sphere to avoid edgecases, original value already saved geometry_sph->geometry_parameters.p_sphere_storage->sph_radius = 1.02*radius; // Shell points must be free'ed before leaving this function shell_points = geometry_sph->shell_points(geometry_sph,100*100); // using 100 rings with 100 points for (iterate=0;iteratewithin_function(shell_points.elements[iterate],geometry_box) == 1) { free(shell_points.elements); geometry_sph->geometry_parameters.p_sphere_storage->sph_radius = radius; return 1; } } // Reset sphere radius to correct value geometry_sph->geometry_parameters.p_sphere_storage->sph_radius = radius; free(shell_points.elements); return 0; }; // sym sphere int sphere_overlaps_cylinder(struct geometry_struct *geometry_sph,struct geometry_struct *geometry_cyl) { return cylinder_overlaps_sphere(geometry_cyl,geometry_sph); }; int sphere_overlaps_box(struct geometry_struct *geometry_sph,struct geometry_struct *geometry_box) { return box_overlaps_sphere(geometry_box,geometry_sph); }; int cone_overlaps_sphere(struct geometry_struct *geometry_cone,struct geometry_struct *geometry_sph) { // Overlap function should return 1 if the to geometries both cover some volume // Temporary function // Load Variables: /* Coords direction_1 = geometry_cone->geometry_parameters.p_cone_storage->direction_vector; Coords center_1 = geometry_cone->center; double radius_top_1 = geometry_cone->geometry_parameters.p_cone_storage->cone_radius_top; double radius_bottom_1 = geometry_cone->geometry_parameters.p_cone_storage->cone_radius_bottom; double height_1 = geometry_cone->geometry_parameters.p_cone_storage->height; Coords direction_2 = geometry_sph->geometry_parameters.p_sphere_storage->direction_vector; Coords center_2 = geometry_sph->center; double radius_2 = geometry_sph->geometry_parameters.p_sphere_storage->sph_radius; */ double Y; double max_r; int resolution = 300; // This function is a rewritten verstion of the A_within_B. // This function assumes the parent (B) is a convex geoemtry // If all points on the shell of geometry A is within B, so are all lines between them. // FIRST CHECK IF POINTS N CONE IS INSIDE SPHERE: // resolution selects the number of points to be generated on the shell. struct pointer_to_1d_coords_list shell_points; shell_points = geometry_cone->shell_points(geometry_cone,resolution); // Shell_points.elements need to be freed before leaving this function if (shell_points.num_elements > resolution || shell_points.num_elements < 0) { printf("\nERROR: Shell point function used in A_within_B return garbage num_elements. \n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iteratewithin_function(shell_points.elements[iterate],geometry_sph) == 1) { free(shell_points.elements); //printf("\n ONE POINT OF SPH IS INSIDE CONE\n"); return 1; } } free(shell_points.elements); // CHECK IF SPHERE POINTS ARE INSIDE CONE // resolution selects the number of points to be generated on the shell. shell_points = geometry_sph->shell_points(geometry_sph,resolution); // Shell_points.elements need to be freed before leaving this function if (shell_points.num_elements > resolution || shell_points.num_elements < 0) { printf("\nERROR: Shell point function used in A_within_B return garbage num_elements. \n"); exit(EXIT_FAILURE); } for (iterate=0;iteratewithin_function(shell_points.elements[iterate],geometry_cone) == 1) { free(shell_points.elements); //printf("\n ONE POINT OF CONE IS INSIDE SPH\n"); return 1; } } free(shell_points.elements); // If just one points is inside, the entire geometry is assumed inside as parent should be convex return 0; }; int sphere_overlaps_cone(struct geometry_struct *geometry_sph,struct geometry_struct *geometry_cone) { // This problem is symetrical. return cone_overlaps_sphere(geometry_cone,geometry_sph); }; int cone_overlaps_cylinder(struct geometry_struct *geometry_cone,struct geometry_struct *geometry_cylinder) { // Overlap function should return 1 if the to geometries both cover some volume // This now works for the simple case where the two directions are parallel. Otherwise it uses A within B. // Load Variables: Coords direction_1 = geometry_cone->geometry_parameters.p_cone_storage->direction_vector; Coords center_1 = geometry_cone->center; double radius_top_1 = geometry_cone->geometry_parameters.p_cone_storage->cone_radius_top; double radius_bottom_1 = geometry_cone->geometry_parameters.p_cone_storage->cone_radius_bottom; double height_1 = geometry_cone->geometry_parameters.p_cone_storage->height; Coords direction_2 = geometry_cylinder->geometry_parameters.p_cylinder_storage->direction_vector; Coords center_2 = geometry_cylinder->center; double radius_2 = geometry_cylinder->geometry_parameters.p_cylinder_storage->cyl_radius; double height_2 = geometry_cylinder->geometry_parameters.p_cylinder_storage->height; double radius_bottom_2 = radius_2; double radius_top_2 = radius_2; // // Simple test to see if they are far away (with smallest spheres outside) // Create Spheres double dist_above_bottom = 0.5*(radius_top_1*radius_top_1+height_1*height_1-radius_bottom_1*radius_bottom_1)/height_1; double dist_from_center = dist_above_bottom - 0.5*height_1; Coords sphere_1_pos = coords_set(center_1.x+direction_1.x*dist_from_center, center_1.y+direction_1.y*dist_from_center, center_1.z+direction_1.z*dist_from_center); double sphere_1_radius = sqrt(radius_bottom_1*radius_bottom_1+dist_above_bottom*dist_above_bottom); double sphere_2_radius = sqrt(radius_2*radius_2+height_2*height_2); Coords sphere_2_pos = center_2; //print_position(sphere_1_pos,"sphere_1 pos"); //printf("sphere_1 radius = %lf \n", sphere_1_radius); //print_position(sphere_2_pos,"sphere_2 pos"); //printf("sphere_2 radius = %lf \n", sphere_2_radius); // Test if spheres are too long apart to have any chance of intersecting double dist_spheres = sqrt((sphere_1_pos.x-sphere_2_pos.x)*(sphere_1_pos.x-sphere_2_pos.x)+(sphere_1_pos.y-sphere_2_pos.y)*(sphere_1_pos.y-sphere_2_pos.y)+(sphere_1_pos.z-sphere_2_pos.z)*(sphere_1_pos.z-sphere_2_pos.z)); if (dist_spheres > sphere_1_radius + sphere_2_radius){ printf("\nSpherical method determined that cones are too far away for intersection to be relevant\n"); return 0; } // // Simple test to see if they are inside (with largest spheres inside) // Brute force in two steps. // 1. Check if any points on 1 lies within 2 // 2. Check if any transversal lines on the mesh of 1 intersects with 2 // Calculate needed information Coords cone_1_bottom_point = coords_add(center_1,coords_scalar_mult(direction_1,-0.5*height_1)); Coords cone_1_top_point = coords_add(center_1,coords_scalar_mult(direction_1,0.5*height_1)); Coords cone_2_bottom_point = coords_add(center_2,coords_scalar_mult(direction_2,-0.5*height_2)); Coords cone_2_top_point = coords_add(center_2,coords_scalar_mult(direction_2,0.5*height_2)); // Create two circles for both geometries int resoultuion = 300; struct pointer_to_1d_coords_list cone_1_points = geometry_cone->shell_points(geometry_cone,resoultuion); //points_on_circle(cone_1_top,cone_1_top_point,direction_1,radius_top_1,resoultuion); //points_on_circle(cone_1_bottom,cone_1_bottom_point,direction_1,radius_bottom_1,resoultuion); //printf("\nTEST\n"); int i; // Test geometry 1 points inside geometry 2 for (i = 0 ; i < cone_1_points.num_elements ; i++){ if (r_within_cylinder(cone_1_points.elements[i],geometry_cylinder) == 1){ //printf("\nOne point on cone 1 is inside cone 2\n"); return 1; } } struct pointer_to_1d_coords_list cone_2_points = geometry_cylinder->shell_points(geometry_cylinder,resoultuion); // Test geometry 2 points inside geometry 1 for (i = 0 ; i < cone_2_points.num_elements ; i++){ if (r_within_cone(cone_2_points.elements[i],geometry_cone) == 1){ //printf("\nOne point on cone 2 is inside cone 1\n"); return 1; } } // Test 1 within 2 // // Test if there is any intersection (intersection function or eqation?) // This is an implementation of brute force. Maybe do this with a calculated function? int circ_resolution = 150; // how many lines will the be checked for int height_resolution = 300; double length_of_cone_side_1 = sqrt(pow(radius_top_1-radius_bottom_1,2)+pow(height_1,2)); double length_of_cone_side_2 = sqrt(pow(radius_top_2-radius_bottom_2,2)+pow(height_2,2)); double slope_1 = (radius_top_1-radius_bottom_1)/height_1; double slope_2 = (radius_top_2-radius_bottom_2)/height_2; double local_radius; Coords cone_1_direction = geometry_cone->geometry_parameters.p_cone_storage->direction_vector; Coords cone_2_direction = geometry_cylinder->geometry_parameters.p_cylinder_storage->direction_vector; //printf("\nlength_of_cone_side_1 = %f\n",length_of_cone_side_1); Coords circ_points[150]; double circ_offset; Coords circ_center; int j; for (i = 0 ; i < height_resolution ; i++){ // Calculate circ offset circ_offset = i * height_1 / height_resolution; // Calculate middle point circ_center = coords_add(cone_1_bottom_point,coords_set(cone_1_direction.x * circ_offset,cone_1_direction.y * circ_offset,cone_1_direction.z * circ_offset)); // Calculate radius local_radius = circ_offset * slope_1 + radius_bottom_1; // Make points on circle //printf("points on circle: circ_center = [%f,%f,%f] , cone_1_direction = [%f,%f,%f] , local_radius = %f , circ_resolution = %i",circ_center.x,circ_center.y,circ_center.z,cone_1_direction.x,cone_1_direction.y,cone_1_direction.z,local_radius,circ_resolution); points_on_circle(circ_points,circ_center,cone_1_direction,local_radius,circ_resolution); // Test if any points lies within geomtry 2 for (j = 0 ; j < circ_resolution; j++){ //printf("\ntested if point [%i] [%f,%f,%f] is inside",j,circ_points[j].x,circ_points[j].y,circ_points[j].z); if (r_within_cylinder(circ_points[j],geometry_cylinder) == 1){ //printf("\nOne point on cone 1 is inside cone 2\n"); return 1; } } } for (i = 0 ; i < height_resolution ; i++){ // Calculate circ offset circ_offset = i * height_2 / height_resolution; // Calculate middle point circ_center = coords_add(cone_2_bottom_point,coords_set(cone_2_direction.x * circ_offset,cone_2_direction.y * circ_offset,cone_2_direction.z * circ_offset)); // Calculate radius local_radius = circ_offset * slope_2 + radius_bottom_2; // Make points on circle //printf("points on circle: circ_center = [%f,%f,%f] , cone_1_direction = [%f,%f,%f] , local_radius = %f , circ_resolution = %i",circ_center.x,circ_center.y,circ_center.z,cone_2_direction.x,cone_2_direction.y,cone_2_direction.z,local_radius,circ_resolution); points_on_circle(circ_points,circ_center,cone_2_direction,local_radius,circ_resolution); // Test if any points lies within geomtry 2 for (j = 0 ; j < circ_resolution; j++){ //printf("\ntested if point [%i] [%f,%f,%f] is inside",j,circ_points[j].x,circ_points[j].y,circ_points[j].z); if (r_within_cone(circ_points[j],geometry_cone) == 1){ //printf("\nOne point on cone 2 is inside cone 1\n"); return 1; } } } return 0; }; int cylinder_overlaps_cone(struct geometry_struct *geometry_cylinder,struct geometry_struct *geometry_cone) { // This problem is symetrical. return cone_overlaps_cylinder(geometry_cone,geometry_cylinder); }; int cone_overlaps_box(struct geometry_struct *geometry_cone,struct geometry_struct *geometry_box) { // Overlap function should return 1 if the to geometries both cover some volume // cone_overlaps_box(struct geometry_struct *geometry_cone,struct geometry_struct *geometry_box) // Load Variables: Coords direction_cone = geometry_cone->geometry_parameters.p_cone_storage->direction_vector; Coords center_cone = geometry_cone->center; double radius_top_cone = geometry_cone->geometry_parameters.p_cone_storage->cone_radius_top; double radius_bottom_cone = geometry_cone->geometry_parameters.p_cone_storage->cone_radius_bottom; double height_cone = geometry_cone->geometry_parameters.p_cone_storage->height; //Coords normal_vectors_box[6] = geometry_box->geometry_parameters.p_box_storage->normal_vectors; int is_rectangle = geometry_box->geometry_parameters.p_box_storage->is_rectangle; double x_width1 = geometry_box->geometry_parameters.p_box_storage->x_width1; double y_height1 = geometry_box->geometry_parameters.p_box_storage->y_height1; double z_depth= geometry_box->geometry_parameters.p_box_storage->z_depth; double x_width2 = geometry_box->geometry_parameters.p_box_storage->x_width2; double y_height2 = geometry_box->geometry_parameters.p_box_storage->y_height2; Coords x_vector = geometry_box->geometry_parameters.p_box_storage->x_vector; Coords y_vector = geometry_box->geometry_parameters.p_box_storage->y_vector; Coords z_vector = geometry_box->geometry_parameters.p_box_storage->z_vector; Coords center_box = geometry_box->center; //Coords direction_box = geometry_cone->geometry_parameters.p_box_storage->direction; double Y; double max_r; // // Simple test to see if they are far away (with smallest spheres outside) // Create Spheres /* Y = -(0.5*height_cone)-(radius_top_cone*radius_top_cone-radius_bottom_cone*radius_bottom_cone)/(2*height_cone); if (radius_top_cone > radius_bottom_cone){ max_r = radius_top_cone; }else{ max_r = radius_bottom_cone; } double sphere_1_radius = sqrt((Y+(1/2)*height_cone)*(Y+(1/2)*height_cone)+max_r*max_r); Coords sphere_1_pos = coords_set(center_cone.x+direction_cone.x*Y,center_cone.y+direction_cone.y*Y,center_cone.z+direction_cone.z*Y); */ double dist_above_bottom = 0.5*(radius_top_cone*radius_top_cone+height_cone*height_cone-radius_bottom_cone*radius_bottom_cone)/height_cone; double dist_from_center = dist_above_bottom - 0.5*height_cone; Coords sphere_1_pos = coords_set(center_cone.x+direction_cone.x*dist_from_center, center_cone.y+direction_cone.y*dist_from_center, center_cone.z+direction_cone.z*dist_from_center); double sphere_1_radius = sqrt(radius_bottom_cone*radius_bottom_cone+dist_above_bottom*dist_above_bottom); double dist_to_corner; double sphere_2_radius = 0; dist_to_corner = sqrt(pow(x_width1,2)+pow(x_width1,2)); if (dist_to_corner > sphere_2_radius) { sphere_2_radius = dist_to_corner ; } dist_to_corner = sqrt(pow(x_width1,2)+pow(x_width2,2)); if (dist_to_corner > sphere_2_radius) { sphere_2_radius = dist_to_corner ; } dist_to_corner = sqrt(pow(x_width2,2)+pow(x_width1,2)); if (dist_to_corner > sphere_2_radius) { sphere_2_radius = dist_to_corner ; } dist_to_corner = sqrt(pow(x_width2,2)+pow(x_width2,2)); if (dist_to_corner > sphere_2_radius) { sphere_2_radius = dist_to_corner ; } Coords sphere_2_pos = center_box; // Test if spheres are too long apart to have any chance of intersecting double dist_spheres = sqrt((sphere_1_pos.x-sphere_2_pos.x)*(sphere_1_pos.x-sphere_2_pos.x)+(sphere_1_pos.y-sphere_2_pos.y)*(sphere_1_pos.y-sphere_2_pos.y)+(sphere_1_pos.z-sphere_2_pos.z)*(sphere_1_pos.z-sphere_2_pos.z)); if (dist_spheres > sphere_1_radius + sphere_2_radius){ //printf("\nSpherical method determined that cones are too far away for intersection to be relevant\n"); return 0; } // // Simple test to see if they are inside (with largest spheres inside) // Brute force in two steps. // 1. Check if any points on 1 lies within 2 // 2. Check if any transversal lines on the mesh of 1 intersects with 2 // Calculate needed information Coords cone_bottom_point = coords_add(center_cone,coords_scalar_mult(direction_cone,-0.5*height_cone)); Coords cone_top_point = coords_add(center_cone,coords_scalar_mult(direction_cone,0.5*height_cone)); // Create two circles for both geometries int resoultuion = 300; struct pointer_to_1d_coords_list cone_points = geometry_cone->shell_points(geometry_cone,resoultuion); struct pointer_to_1d_coords_list box_points = geometry_box->shell_points(geometry_box,resoultuion); //points_on_circle(cone_1_top,cone_top_point,direction_cone,radius_top_cone,resoultuion); //points_on_circle(cone_1_bottom,cone_bottom_point,direction_cone,radius_bottom_cone,resoultuion); //printf("\nTEST\n"); int i; // Test cone points inside box for (i = 0 ; i < cone_points.num_elements ; i++){ if (r_within_box_advanced(cone_points.elements[i],geometry_box) == 1){ //printf("\nOne point on cone is inside box\n"); return 1; } } // Test box points inside cone for (i = 0 ; i < box_points.num_elements ; i++){ if (r_within_cone(box_points.elements[i],geometry_cone) == 1){ //printf("\nOne point on box is inside cone\n"); return 1; } } // Test 1 within 2 // // Test if there is any intersection (intersection function or eqation?) // // Add more points // This is an implementation of brute force. Maybe do this with a calculated function? int circ_resolution = 50; // how many lines will the be checked for int height_resolution = 150; double length_of_cone_side = sqrt(pow(radius_top_cone-radius_bottom_cone,2)+pow(height_cone,2)); double length_of_box_side = z_depth; double slope_1 = (radius_top_cone-radius_bottom_cone)/height_cone; double local_radius; Coords cone_direction = geometry_cone->geometry_parameters.p_cone_storage->direction_vector; //Coords box_direction = geometry_box->geometry_parameters.p_box_storage->direction_vector; //printf("\nlength_of_cone_side = %f\n",length_of_cone_side); Coords circ_points[50]; double circ_offset; Coords circ_center; Coords square_points[8]; double square_offset; // PW FIXME: square_center needs init - probably no to 0, but certainly not to "random stuff on memory" Coords square_center=coords_set(0,0,0); Coords box_end_point = coords_sub(coords_set(0,0,-z_depth/2),square_center); int j; for (i = 0 ; i < height_resolution ; i++){ // Calculate circ offset //circ_offset = i * length_of_cone_side / height_resolution; // Possible bug circ_offset = i * height_cone / height_resolution; // Possible bug // Calculate middle point circ_center = coords_add(cone_bottom_point,coords_set(cone_direction.x * circ_offset,cone_direction.y * circ_offset,cone_direction.z * circ_offset)); // Calculate radius local_radius = circ_offset * slope_1 + radius_bottom_cone; // Make points on circle //printf("points on circle: circ_center = [%f,%f,%f] , cone_direction = [%f,%f,%f] , local_radius = %f , circ_resolution = %i",circ_center.x,circ_center.y,circ_center.z,cone_direction.x,cone_direction.y,cone_direction.z,local_radius,circ_resolution); points_on_circle(circ_points,circ_center,cone_direction,local_radius,circ_resolution); // Test if any points lies within geomtry 2 for (j = 0 ; j < circ_resolution; j++){ //printf("\ntested if point [%i] [%f,%f,%f] is inside",j,circ_points[j].x,circ_points[j].y,circ_points[j].z); if (r_within_box_advanced(circ_points[j],geometry_box) == 1){ //printf("\nOne point on cone 1 is inside cone 2\n"); return 1; } } } double box_offset; for (i = 0 ; i < height_resolution ; i++){ // Calculate circ offset box_offset = i * length_of_box_side / height_resolution; // Calculate middle point square_center = coords_add(box_end_point,coords_set(z_vector.x * box_offset,z_vector.y * box_offset,z_vector.z * box_offset)); // Calculate radius // Make points on square square_points[0]=coords_add(square_center,coords_set(x_width1/2,0,0)); // A point on the side of the box square_points[1]=coords_add(square_points[0],coords_set(0,y_height1/2,0)); // Corner square_points[2]=coords_add(square_points[0],coords_set(0,-y_height1/2,0)); // Corner square_points[3]=coords_add(square_center,coords_set(-x_width1/2,0,0)); // A point on the side of the box square_points[4]=coords_add(square_points[3],coords_set(0,y_height1/2,0)); // Corner square_points[5]=coords_add(square_points[3],coords_set(0,-y_height1/2,0)); // Corner square_points[6]=coords_add(square_center,coords_set(0,y_height1/2,0)); // A point on the side of square_points[7]=coords_add(square_center,coords_set(0,-y_height1/2,0)); // A point on the side of // Test if any points lies within geomtry 2 for (j = 0 ; j < 3; j++){ if (r_within_cone(square_points[j],geometry_cone) == 1){ //printf("\nOne point on cone 2 is inside cone 1\n"); return 1; } } } return 0; }; int box_overlaps_cone(struct geometry_struct *geometry_box,struct geometry_struct *geometry_cone) { // This problem is symetrical. return cone_overlaps_box(geometry_cone,geometry_box); } int mesh_overlaps_box(struct geometry_struct *geometry1, struct geometry_struct *geometry2){ return mesh_overlaps_mesh(geometry1, geometry2); } int mesh_overlaps_cone(struct geometry_struct *geometry1, struct geometry_struct *geometry2){ return mesh_overlaps_mesh(geometry1, geometry2); } int mesh_overlaps_sphere(struct geometry_struct *geometry1,struct geometry_struct *geometry2) { return mesh_overlaps_mesh(geometry1, geometry2); }; int mesh_overlaps_cylinder(struct geometry_struct *geometry1,struct geometry_struct *geometry2) { return mesh_overlaps_mesh(geometry1, geometry2); }; int box_overlaps_mesh(struct geometry_struct *geometry1, struct geometry_struct *geometry2){ return mesh_overlaps_mesh(geometry1, geometry2); } int cone_overlaps_mesh(struct geometry_struct *geometry1, struct geometry_struct *geometry2){ return mesh_overlaps_mesh(geometry1, geometry2); } int sphere_overlaps_mesh(struct geometry_struct *geometry1,struct geometry_struct *geometry2) { return mesh_overlaps_mesh(geometry1, geometry2); }; int cylinder_overlaps_mesh(struct geometry_struct *geometry1,struct geometry_struct *geometry2) { return mesh_overlaps_mesh(geometry1, geometry2); }; // ------------- Within functions for two different geometries --------------------------------- double dist_from_point_to_plane(Coords point,Coords plane_p1, Coords plane_p2, Coords plane_p3) { /* printf("Dist from point to plane stuff ---- \n"); print_position(point,"point"); print_position(plane_p1,"plane_p1"); print_position(plane_p2,"plane_p2"); print_position(plane_p3,"plane_p3"); */ // transform three points into normal vector Coords vector_1 = coords_sub(plane_p2,plane_p1); Coords vector_2 = coords_sub(plane_p3,plane_p1); Coords normal_vector; vec_prod(normal_vector.x,normal_vector.y,normal_vector.z,vector_1.x,vector_1.y,vector_1.z,vector_2.x,vector_2.y,vector_2.z); double denominator = length_of_position_vector(normal_vector); normal_vector = coords_scalar_mult(normal_vector,1.0/denominator); //print_position(normal_vector,"normal vector in dist from point to plane"); Coords diff = coords_sub(point,plane_p1); return fabs(scalar_prod(normal_vector.x,normal_vector.y,normal_vector.z,diff.x,diff.y,diff.z)); }; int box_within_cylinder(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Is geometry child inside geometry parent? // For box child to be inside of cylinder parent, all corners of box child must be inside of box parent. // Generate coordinates of corners of the box Coords corner_points[8]; box_corners_global_frame(corner_points,geometry_child); // Check earch corner seperatly int iterate; for (iterate=0;iterate<8;iterate++) { if (geometry_parent->within_function(corner_points[iterate],geometry_parent) == 0) { return 0; // If a corner is outside, box child is not within cylinder parent } } return 1; // If no corner was outside, the box is inside the cylinder }; int cylinder_within_box(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Is geometry child inside geometry parent? // For box child to be inside of cylinder parent, all corners of box child must be inside of box parent. Coords cyl_direction = geometry_child->geometry_parameters.p_cylinder_storage->direction_vector; Coords center = geometry_child->center; double radius = geometry_child->geometry_parameters.p_cylinder_storage->cyl_radius; double height = geometry_child->geometry_parameters.p_cylinder_storage->height; Coords cyl_top_point = coords_add(center,coords_scalar_mult(cyl_direction,0.5*height)); Coords cyl_bottom_point = coords_add(center,coords_scalar_mult(cyl_direction,-0.5*height)); // quick escape: if end points of cylinder not in box, return 0 if (geometry_parent->within_function(cyl_top_point,geometry_parent) == 0) return 0; if (geometry_parent->within_function(cyl_bottom_point,geometry_parent) == 0) return 0; // Generate 30 points on the circle describing the top of the cylinder Coords *circle_point_array; int number_of_points = 30; circle_point_array = malloc(number_of_points * sizeof(Coords)); if (!circle_point_array) { fprintf(stderr,"Failure allocating list in Union function cylinder_within_box - Exit!\n"); exit(EXIT_FAILURE); } points_on_circle(circle_point_array,cyl_top_point,cyl_direction,radius,number_of_points); // Check parts of cylinder top seperatly int iterate; for (iterate=0;iteratewithin_function(circle_point_array[iterate],geometry_parent) == 0) { return 0; // If part of the cylinder is outside the box, the cylinder is not inside the box } } // Check parts of cylinder bottom seperatly points_on_circle(circle_point_array,cyl_bottom_point,cyl_direction,radius,number_of_points); for (iterate=0;iteratewithin_function(circle_point_array[iterate],geometry_parent) == 0) { return 0; // If part of the cylinder is outside the box, the cylinder is not inside the box } } free(circle_point_array); return 1; // If no part of the cylinders end caps was outside, the cylinder is inside box 1 }; int cylinder_within_sphere(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Is a cylinder within a sphere? double cyl_radius = geometry_child->geometry_parameters.p_cylinder_storage->cyl_radius; double cyl_height = geometry_child->geometry_parameters.p_cylinder_storage->height; double sph_radius = geometry_parent->geometry_parameters.p_sphere_storage->sph_radius; // Quick checks to avoid overhead from A_within_B // Is the height of the cylinder larger than diameter of the sphere? if (cyl_height > 2.0*sph_radius) return 0; // Is the radius of the cylidner larger than the radius of the sphere? if (cyl_radius > sph_radius) return 0; // Is the center of the cylinder so far from the center of the sphere that it cant fit? double distance = distance_between(geometry_child->center,geometry_parent->center); if (0.5*cyl_height > cyl_radius) { if (sqrt(distance*distance + 0.25*cyl_height*cyl_height) > sph_radius) return 0; } else { if (sqrt(distance*distance + cyl_radius*cyl_radius) > sph_radius) return 0; } // Reasonable to brute force solution here return A_within_B(geometry_child,geometry_parent,(int) 400); // 200 points on each end cap }; int sphere_within_cylinder(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Is a sphere (child) within a cylinder (parent)? // If the center is not inside, one can exit fast Coords sph_center = geometry_child->center; if (geometry_parent->within_function(sph_center,geometry_parent) == 0) return 0; // Generate cylinder with height = height - r_s and r_c = r_c - 2*r_s and check if point is within. // Done by modifying parent cylinder. double original_radius = geometry_parent->geometry_parameters.p_cylinder_storage->cyl_radius; double original_height = geometry_parent->geometry_parameters.p_cylinder_storage->height; // Need sphere double sph_radius = geometry_child->geometry_parameters.p_sphere_storage->sph_radius; if (original_radius - sph_radius > 0 && original_height - 2.0*sph_radius > 0) { geometry_parent->geometry_parameters.p_cylinder_storage->cyl_radius = original_radius - sph_radius; geometry_parent->geometry_parameters.p_cylinder_storage->height = original_height - 2.0*sph_radius; } else return 0; int return_value = geometry_parent->within_function(sph_center,geometry_parent); // Reset the cylinder to it's original values (important not to return before) geometry_parent->geometry_parameters.p_cylinder_storage->cyl_radius = original_radius; geometry_parent->geometry_parameters.p_cylinder_storage->height = original_height; return return_value; }; int box_within_sphere(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // If all 8 corners of the box are inside the sphere, the entire box is inside return A_within_B(geometry_child,geometry_parent,8); }; int sphere_within_box(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Distance from any of the box sides must be greater than radius, and the center inside. // debug test, use A_within_B //return A_within_B(geometry_child,geometry_parent,100*100); // If the center is not inside, one can exit fast Coords sph_center = geometry_child->center; if (geometry_parent->within_function(sph_center,geometry_parent) == 0) { //printf("sphere not child of box because it's center is not in the box \n"); return 0; } double radius = geometry_child->geometry_parameters.p_sphere_storage->sph_radius; // 6 planes // +z -z easy as are parallel and simple in the box's coordinate system Coords coordinates = coords_sub(sph_center,geometry_parent->center); // Rotate the position around the center of the box Coords rotated_coordinates; rotated_coordinates = rot_apply(geometry_parent->transpose_rotation_matrix,coordinates); double depth = geometry_parent->geometry_parameters.p_box_storage->z_depth; if (rotated_coordinates.z < -0.5*depth+radius || rotated_coordinates.z > 0.5*depth-radius) { //printf("sphere not child of box because it's center to close to z plane \n"); return 0; } Coords corner_ps[8]; box_corners_global_frame(corner_ps,geometry_parent); // The first 4 points are in the -z plane, the last 4 in the +z plane. // In the -z plane, 0 has neighbors 1 and 3, in the opposite 4 // In the -z plane, 2 has neighbors 1 and 3, in the opposite 6 // Then these are the four necessary calls for the two plans described by each group. double debug_dist; if ((debug_dist = dist_from_point_to_plane(sph_center,corner_ps[0],corner_ps[4],corner_ps[1])) < radius ) { //printf("sphere not child of box because it's center too close to plane 1, as distance was %f\n",debug_dist); return 0; } if ((debug_dist = dist_from_point_to_plane(sph_center,corner_ps[0],corner_ps[4],corner_ps[3])) < radius ) { //printf("sphere not child of box because it's center too close to plane 2, as distance was %f\n",debug_dist); return 0; } if ((debug_dist = dist_from_point_to_plane(sph_center,corner_ps[2],corner_ps[6],corner_ps[1])) < radius ) { //printf("sphere not child of box because it's center too close to plane 3, as distance was %f\n",debug_dist); return 0; } if ((debug_dist = dist_from_point_to_plane(sph_center,corner_ps[2],corner_ps[6],corner_ps[3])) < radius ) { //printf("sphere not child of box because it's center too close to plane 4, as distance was %f\n",debug_dist); return 0; } return 1; // If the cylinder center is inside, and more than radius away from all walls, it is inside }; int cone_within_sphere(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Function returns 1 if the cone is completely within the sphere, 0 otherwise // Brute force place holder return A_within_B(geometry_child,geometry_parent,(int) 300); // 150 points on each end cap }; int cone_within_cylinder(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Function returns 1 if the cone is completely within the cylinder, 0 otherwise // Brute force place holder //return A_within_B(geometry_child,geometry_parent,(int) 60); // 30 points on each end cap // This now works for the simple case where the two directions are parallel. Otherwise it uses A within B. // Unpack parameters double radius1 = geometry_parent->geometry_parameters.p_cylinder_storage->cyl_radius; double height1 = geometry_parent->geometry_parameters.p_cylinder_storage->height; double radius2_top = geometry_child->geometry_parameters.p_cone_storage->cone_radius_top; double radius2_bottom = geometry_child->geometry_parameters.p_cone_storage->cone_radius_bottom; double height2 = geometry_child->geometry_parameters.p_cone_storage->height; int verbal = 0; // Generate unit direction vector along center axis of cylinders // Start with vector that points along the cylinder in the simple frame, and rotate to global Coords simple_vector = coords_set(0,1,0); Coords vector1,vector2; if (verbal == 1) printf("Cords start_vector = (%f,%f,%f)\n",simple_vector.x,simple_vector.y,simple_vector.z); // Rotate the position of the ray around the center of the cylinder vector1 = rot_apply(geometry_parent->rotation_matrix,simple_vector); if (verbal == 1) printf("Cords vector1 = (%f,%f,%f)\n",vector1.x,vector1.y,vector1.z); // Rotate the position of the ray around the center of the cylinder vector2 = rot_apply(geometry_child->rotation_matrix,simple_vector); if (verbal == 1) printf("Cords vector2 = (%f,%f,%f)\n",vector2.x,vector2.y,vector2.z); // if vector1 and vector2 are parallel, the problem is simple, but if not complicated double cross_product1[3] = {0,0,0}; // printf("%f\n",cross_product1[0]); // vec prod(&ax,&ay,&az,bx,by,bz, cx,cy,cz) vec_prod(cross_product1[0],cross_product1[1],cross_product1[2],vector1.x,vector1.y,vector1.z,vector2.x,vector2.y,vector2.z); // I get an error taking the adress of cross_product1[0], &cross_product1[0]. Took the pointer adresses instead. Works fine. if (verbal == 1) printf("cross_product = (%f,%f,%f)\n",cross_product1[0],cross_product1[1],cross_product1[2]); double cross_product_length = length_of_3vector(cross_product1); if (cross_product_length == 0) { // The cylinders are parallel. int seperated = 0; double delta[3]; delta[0] = geometry_parent->center.x - geometry_child->center.x; delta[1] = geometry_parent->center.y - geometry_child->center.y; delta[2] = geometry_parent->center.z - geometry_child->center.z; // Test for separation by height // if (h0Div2 + h1Div2 − |Dot(W0, Delta )| < 0) seperated = 1; if (verbal == 1) printf("vector1 = (%f,%f,%f)\n",vector1.x,vector1.y,vector2.z); if (verbal == 1) printf("delta1 = (%f,%f,%f)\n",delta[0],delta[1],delta[2]); double scalar_prod1 = scalar_prod(vector1.x,vector1.y,vector1.z,delta[0],delta[1],delta[2]); if (verbal == 1) printf("scalar product = %f \n",scalar_prod1); if (verbal == 1) printf("height 1 = %f, height 2 = %f \n",height1,height2); int inside = 1; if (height1*0.5 < height2*0.5 + fabs(scalar_prod1)) { if (verbal == 1) printf("Cylinder sticks out height wise \n"); inside = 0; } // Test for separation radially // if (rSum − |Delta − Dot(W0,Delta)∗W0| < 0) seperated = 1; double vector_between_cyl_axis[3]; vector_between_cyl_axis[0] = delta[0] - scalar_prod1*vector1.x; vector_between_cyl_axis[1] = delta[1] - scalar_prod1*vector1.y; vector_between_cyl_axis[2] = delta[2] - scalar_prod1*vector1.z; if (verbal == 1) printf("vector_between = (%f,%f,%f)\n",vector_between_cyl_axis[0],vector_between_cyl_axis[1],vector_between_cyl_axis[2]); if (verbal == 1) printf("length of vector between = %f\n",length_of_3vector(vector_between_cyl_axis)); if (verbal == 1) printf("radius1 = %f , radius2_top=%f , radius2_bottom=%f\n",radius1,radius2_top,radius2_bottom); if (radius1 < fmax(radius2_top,radius2_bottom) + length_of_3vector(vector_between_cyl_axis)) { if (verbal == 1) printf("Cylinder sticks out radially \n"); inside = 0; } if (inside == 0) return 0; else return 1; } else { // Make shell points and check if they are inside return A_within_B(geometry_child,geometry_parent,(int) 200); // 100 points on each end cap } }; int cone_within_box(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Function returns 1 if the cone is completely within the box, 0 otherwise // Brute force place holder return A_within_B(geometry_child,geometry_parent,(int) 300); // 150 points on each end cap }; int sphere_within_cone(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Function returns 1 if the sphere is completely within the cone, 0 otherwise // Brute force place holder return A_within_B(geometry_child,geometry_parent,(int) 300); // 150 points on each end cap }; int cylinder_within_cone(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Function returns 1 if the cylinder is completely within the cone, 0 otherwise // Brute force place holder return A_within_B(geometry_child,geometry_parent,(int) 300); // 150 points on each end cap }; int box_within_cone(struct geometry_struct *geometry_child,struct geometry_struct *geometry_parent) { // Function returns 1 if the box is completely within the cone, 0 otherwise // Brute force place holder return A_within_B(geometry_child,geometry_parent,(int) 300); // 150 points on each end cap }; // Flexible intersection function int intersect_function(double *t, double *nx, double *ny, double *nz, int *surface_index, int *num_solutions, double *r, double *v, struct geometry_struct *geometry) { int output = 0; switch(geometry->eShape) { case box: if (geometry->geometry_parameters.p_box_storage->is_rectangle == 1) { output = sample_box_intersect_simple(t, nx, ny, nz, surface_index, num_solutions, r, v, geometry); } else { output = sample_box_intersect_advanced(t, nx, ny, nz, surface_index, num_solutions, r, v, geometry); } break; case sphere: output = sample_sphere_intersect(t, nx, ny, nz, surface_index, num_solutions, r, v, geometry); break; case cylinder: output = sample_cylinder_intersect(t, nx, ny, nz, surface_index, num_solutions, r, v, geometry); break; case cone: output = sample_cone_intersect(t, nx, ny, nz, surface_index, num_solutions, r, v, geometry); break; #ifndef OPENACC case mesh: output = sample_mesh_intersect(t, nx, ny, nz, surface_index, num_solutions, r, v, geometry); break; #endif default: printf("Intersection function: No matching geometry found!"); break; } return output; }; // Flexible within function int r_within_function(Coords pos,struct geometry_struct *geometry) { int output = 0; switch(geometry->eShape) { case box: if (geometry->geometry_parameters.p_box_storage->is_rectangle == 1) output = r_within_box_simple(pos, geometry); else output = r_within_box_advanced(pos, geometry); break; case sphere: output = r_within_sphere(pos, geometry); break; case cylinder: output = r_within_cylinder(pos, geometry); break; case cone: output = r_within_cone(pos, geometry); break; #ifndef OPENACC case mesh: output = r_within_mesh(pos, geometry); break; #endif case surroundings: output = 1; break; default: printf("Within function: No matching geometry found!"); break; } return output; }; // ------------- List generator functions -------------------------------------------------- int within_which_volume(Coords pos, struct pointer_to_1d_int_list input_list, struct pointer_to_1d_int_list destinations_list, struct Volume_struct **Volumes, struct pointer_to_1d_int_list *mask_status_list, int number_of_volumes, int *volume_logic_copy, int *ListA, int *ListB) { // This function identifies in which of the volumes of the input list the position pos lies in. // pos: position for which the current volume should be found for // input list: list of potential volumes, reduced to the ones without parents (their children will be checked) // OLD VERSION: volume logic: A logic list of allowed volumes for lookup, volume 1 3 and 5 in a case of 10 volumes would be [0 1 0 1 0 1 0 0 0 0] // destinations_list: list of allowed destinations (the original destinations list) // Volumes: Main volumes array // volume_logic_copy: A pointer to a integer array with at least length "number_of_volumes" (pre alocated for speed) // ListA: A pointer to a integer array with at least length "number_of_volumes" (pre alocated for speed) // ListB: A pointer to a integer array with at least length "number_of_volumes" (pre alocated for speed) // Algorithm description // Check all of input list for pos being within them, those that have it within them are: // checked against the current highest priority // if higher, is the new highest priority and the new pick for volume // have all their direct children added to the next list to be checked (but any volume can only be added to that list once) // Once a run have been made where the next list to check is empty, the answer for new pick for volume is taken. // Mask update: // Algorithm description // Check all of input list for pos being within them, those that have it within them are: // checked against the current highest priority and mask status // if higher, this is the new highest priority and the new pick for volume // have all their direct children added to the next list to be checked (but any volume can only be added to that list once) // Once a run have been made where the next list to check is empty, the answer for new pick for volume is taken. // The advantage of the method is that potentially large numbers of children are skipped when their parents do not contain the position. // The overhead cost is low, as all the lists are prealocated. // Should be checked which of the two implementations is faster, as this is much more complicated than simply checking all possibilities. // No within_function call should be made twice, as the same volume number will not be checked twice because of the properties of the direct_children list and the volume_logic that removes duplicates on each level. // This function uses too much memory, the memory required for the volume logic list is n_volumes^2 ints, or for a MACS monochromator 127000 ints. // Instead the original destinations list must be used, and a function for quick lookup in a (sorted) destinations list made. // Still need a list of n_volumes length for control to avoid adding the same volume to the list twice. int ListA_length=0,ListB_length=0; int done = 0; int i,direct_children_index; int *temp_pointer; double max_priority=-1000000; int residing_volume=0; // 0 can be removed from the input list if default is 0 int this_mask_status,mask_index,mask_global_index; // volume_logic_copy //for (i=0;igeometry.within_function(pos,&Volumes[input_list.elements[i]]->geometry) == 1) { printf("The position is inside of volume %d\n",input_list.elements[i]); if (Volumes[input_list.elements[i]]->geometry.is_masked_volume == 1) { // if the volume is masked, I need to know if it can be a destination volume from the mask_status_list. // if the masked volume is in ANY mode, this_mask_status=1; //print_1d_int_list(*mask_status_list,"mask status list from within_which_volume"); for (mask_index=0;mask_indexgeometry.masked_by_mask_index_list.num_elements;mask_index++) { //printf("Looking at the mask with global index %d \n",Volumes[input_list.elements[i]]->geometry.masked_by_mask_index_list.elements[mask_index]); if (mask_status_list->elements[Volumes[input_list.elements[i]]->geometry.masked_by_mask_index_list.elements[mask_index]] == 1) { if (Volumes[input_list.elements[i]]->geometry.mask_mode == 2) { // ANY (break if any one in) this_mask_status=1; break; } //printf("global index %d had mask status = 1 \n",Volumes[input_list.elements[i]]->geometry.masked_by_mask_index_list.elements[mask_index]); } else { //printf("global index %d had mask status = 0 \n",Volumes[input_list.elements[i]]->geometry.masked_by_mask_index_list.elements[mask_index]); this_mask_status = 0; if(Volumes[input_list.elements[i]]->geometry.mask_mode == 1) break; // ALL (break if any one out) } } //printf("This volume is masked, and the mask status is %d\n",this_mask_status); } else this_mask_status = 1; // if the volume is not masked if (Volumes[input_list.elements[i]]->geometry.priority_value > max_priority && this_mask_status == 1) { max_priority = Volumes[input_list.elements[i]]->geometry.priority_value; residing_volume = input_list.elements[i]; //printf("residing volume set to %d\n",residing_volume); } for (direct_children_index = 0;direct_children_index < Volumes[input_list.elements[i]]->geometry.direct_children.num_elements;direct_children_index++) { if (volume_logic_copy[Volumes[input_list.elements[i]]->geometry.direct_children.elements[direct_children_index]] == 1) { ListA[ListA_length++] = Volumes[input_list.elements[i]]->geometry.direct_children.elements[direct_children_index]; volume_logic_copy[Volumes[input_list.elements[i]]->geometry.direct_children.elements[direct_children_index]] = 0; } } } } //printf("Completed first loop, continued in while loop\n"); if (ListA_length > 0) { while (done == 0) { for (i=0;igeometry.within_function(pos,&Volumes[ListA[i]]->geometry) == 1) { //printf("ray was inside this volume \n"); if (Volumes[ListA[i]]->geometry.is_masked_volume == 1) { //printf("it is a mask and thus need check of mask status \n"); // if the volume is masked, I need to know if it can be a destination volume from the mask_status_list. // if the masked volume is in ANY mode, this_mask_status=1; for (mask_index=0;mask_indexgeometry.masked_by_mask_index_list.num_elements;mask_index++) { if (mask_status_list->elements[Volumes[ListA[i]]->geometry.masked_by_mask_index_list.elements[mask_index]] == 1) { if (Volumes[ListA[i]]->geometry.mask_mode == 2) { // ANY (break if any one in) this_mask_status=1; break; } } else { this_mask_status = 0; if(Volumes[ListA[i]]->geometry.mask_mode == 1) break; // ALL (break if any one out) } } } else this_mask_status = 1; //printf("the mask status is %d \n",this_mask_status); if (Volumes[ListA[i]]->geometry.priority_value > max_priority && this_mask_status == 1) { max_priority = Volumes[ListA[i]]->geometry.priority_value; residing_volume = ListA[i]; } //printf("Adding direct children to list B \n"); for (direct_children_index = 0;direct_children_index < Volumes[ListA[i]]->geometry.direct_children.num_elements;direct_children_index++) { //printf("Checking direct_child number %d which is %d \n",direct_children_index,Volumes[ListA[i]]->geometry.direct_children.elements[direct_children_index]); if (volume_logic_copy[Volumes[ListA[i]]->geometry.direct_children.elements[direct_children_index]] == 1) { //printf("It's volume_logic was 1, and it is thus added to listB with index %d \n",ListB_length); ListB[ListB_length++] = Volumes[ListA[i]]->geometry.direct_children.elements[direct_children_index]; volume_logic_copy[Volumes[ListA[i]]->geometry.direct_children.elements[direct_children_index]] = 0; } } //printf("List B is now: "); //for (direct_children_index=0;direct_children_indexgeometry) == 1) { //printf("The position is inside of volume %d\n",input_list.elements[i]); if (Volumes[input_list.elements[i]]->geometry.is_masked_volume == 1) { // if the volume is masked, I need to know if it can be a destination volume from the mask_status_list. // if the masked volume is in ANY mode, this_mask_status=1; //print_1d_int_list(*mask_status_list,"mask status list from within_which_volume"); for (mask_index=0;mask_indexgeometry.masked_by_mask_index_list.num_elements;mask_index++) { //printf("Looking at the mask with global index %d \n",Volumes[input_list.elements[i]]->geometry.masked_by_mask_index_list.elements[mask_index]); if (mask_status_list->elements[Volumes[input_list.elements[i]]->geometry.masked_by_mask_index_list.elements[mask_index]] == 1) { if (Volumes[input_list.elements[i]]->geometry.mask_mode == 2) { // ANY (break if any one in) this_mask_status=1; break; } //printf("global index %d had mask status = 1 \n",Volumes[input_list.elements[i]]->geometry.masked_by_mask_index_list.elements[mask_index]); } else { //printf("global index %d had mask status = 0 \n",Volumes[input_list.elements[i]]->geometry.masked_by_mask_index_list.elements[mask_index]); this_mask_status = 0; if(Volumes[input_list.elements[i]]->geometry.mask_mode == 1) break; // ALL (break if any one out) } } //printf("This volume is masked, and the mask status is %d\n",this_mask_status); } else this_mask_status = 1; // if the volume is not masked if (Volumes[input_list.elements[i]]->geometry.priority_value > max_priority && this_mask_status == 1) { max_priority = Volumes[input_list.elements[i]]->geometry.priority_value; residing_volume = input_list.elements[i]; //printf("residing volume set to %d\n",residing_volume); } for (direct_children_index = 0;direct_children_index < Volumes[input_list.elements[i]]->geometry.direct_children.num_elements;direct_children_index++) { if (volume_logic_copy[Volumes[input_list.elements[i]]->geometry.direct_children.elements[direct_children_index]] == 1) { ListA[ListA_length++] = Volumes[input_list.elements[i]]->geometry.direct_children.elements[direct_children_index]; volume_logic_copy[Volumes[input_list.elements[i]]->geometry.direct_children.elements[direct_children_index]] = 0; } } } } //printf("Completed first loop, continued in while loop\n"); if (ListA_length > 0) { while (done == 0) { for (i=0;igeometry) == 1) { //printf("ray was inside this volume \n"); if (Volumes[ListA[i]]->geometry.is_masked_volume == 1) { //printf("it is a mask and thus need check of mask status \n"); // if the volume is masked, I need to know if it can be a destination volume from the mask_status_list. // if the masked volume is in ANY mode, this_mask_status=1; for (mask_index=0;mask_indexgeometry.masked_by_mask_index_list.num_elements;mask_index++) { if (mask_status_list->elements[Volumes[ListA[i]]->geometry.masked_by_mask_index_list.elements[mask_index]] == 1) { if (Volumes[ListA[i]]->geometry.mask_mode == 2) { // ANY (break if any one in) this_mask_status=1; break; } } else { this_mask_status = 0; if(Volumes[ListA[i]]->geometry.mask_mode == 1) break; // ALL (break if any one out) } } } else this_mask_status = 1; //printf("the mask status is %d \n",this_mask_status); if (Volumes[ListA[i]]->geometry.priority_value > max_priority && this_mask_status == 1) { max_priority = Volumes[ListA[i]]->geometry.priority_value; residing_volume = ListA[i]; } //printf("Adding direct children to list B \n"); for (direct_children_index = 0;direct_children_index < Volumes[ListA[i]]->geometry.direct_children.num_elements;direct_children_index++) { //printf("Checking direct_child number %d which is %d \n",direct_children_index,Volumes[ListA[i]]->geometry.direct_children.elements[direct_children_index]); if (volume_logic_copy[Volumes[ListA[i]]->geometry.direct_children.elements[direct_children_index]] == 1) { //printf("It's volume_logic was 1, and it is thus added to listB with index %d \n",ListB_length); ListB[ListB_length++] = Volumes[ListA[i]]->geometry.direct_children.elements[direct_children_index]; volume_logic_copy[Volumes[ListA[i]]->geometry.direct_children.elements[direct_children_index]] = 0; } } //printf("List B is now: "); //for (direct_children_index=0;direct_children_indexgeometry.within_function(pos,&Volumes[input_list.elements[i]]->geometry) == 1) { if (Volumes[input_list.elements[i]]->geometry.priority_value > max_priority) { max_priority = Volumes[input_list.elements[i]]->geometry.priority_value; residing_volume = input_list.elements[i]; } for (direct_children_index = 0;direct_children_index < Volumes[input_list.elements[i]]->geometry.direct_children.num_elements;direct_children_index++) { if (volume_logic_copy[Volumes[input_list.elements[i]]->geometry.direct_children.elements[direct_children_index]] == 1) { ListA[ListA_length++] = Volumes[input_list.elements[i]]->geometry.direct_children.elements[direct_children_index]; volume_logic_copy[Volumes[input_list.elements[i]]->geometry.direct_children.elements[direct_children_index]] = 0; } } } } if (ListA_length > 0) { while (done == 0) { printf("ListA = ["); for (i=0;igeometry.within_function(pos,&Volumes[ListA[i]]->geometry) == 1) { if (Volumes[ListA[i]]->geometry.priority_value > max_priority) { max_priority = Volumes[ListA[i]]->geometry.priority_value; residing_volume = ListA[i]; } //if (ListA[i]!=0) { for (direct_children_index = 0;direct_children_index < Volumes[ListA[i]]->geometry.direct_children.num_elements;direct_children_index++) { if (volume_logic_copy[Volumes[ListA[i]]->geometry.direct_children.elements[direct_children_index]] == 1) { ListB[ListB_length++] = Volumes[ListA[i]]->geometry.direct_children.elements[direct_children_index]; volume_logic_copy[Volumes[ListA[i]]->geometry.direct_children.elements[direct_children_index]] = 0; } } //} } } if (ListB_length==0) done = 1; else { temp_pointer = ListA; ListA = ListB; ListB = temp_pointer; ListA_length=ListB_length; ListB_length=0; } } } printf("Volume number %d had the highest priority of checked volumes\n",residing_volume); return residing_volume; }; int inside_function(struct Volume_struct *parent_volume, struct Volume_struct *child_volume) { // Function that calls the correct within function depending on the shapes of the two volumes if (strcmp("sphere",parent_volume->geometry.shape) == 0 && strcmp("sphere",child_volume->geometry.shape) == 0) { if (sphere_within_sphere(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("cylinder",parent_volume->geometry.shape) == 0 && strcmp("cylinder",child_volume->geometry.shape) == 0) { if (cylinder_within_cylinder(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("box",parent_volume->geometry.shape) == 0 && strcmp("box",child_volume->geometry.shape) == 0) { if (box_within_box(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("cone",parent_volume->geometry.shape) == 0 && strcmp("cone",child_volume->geometry.shape) == 0) { if (cone_within_cone(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("mesh",parent_volume->geometry.shape) == 0 && strcmp("mesh",child_volume->geometry.shape) == 0) { if (mesh_within_mesh(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("box",parent_volume->geometry.shape) == 0 && strcmp("cylinder",child_volume->geometry.shape) == 0) { if (cylinder_within_box(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("cylinder",parent_volume->geometry.shape) == 0 && strcmp("box",child_volume->geometry.shape) == 0) { if (box_within_cylinder(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("box",parent_volume->geometry.shape) == 0 && strcmp("sphere",child_volume->geometry.shape) == 0) { if (sphere_within_box(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("sphere",parent_volume->geometry.shape) == 0 && strcmp("box",child_volume->geometry.shape) == 0) { if (box_within_sphere(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("sphere",parent_volume->geometry.shape) == 0 && strcmp("cylinder",child_volume->geometry.shape) == 0) { if (cylinder_within_sphere(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("cylinder",parent_volume->geometry.shape) == 0 && strcmp("sphere",child_volume->geometry.shape) == 0) { if (sphere_within_cylinder(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("cone",parent_volume->geometry.shape) == 0 && strcmp("sphere",child_volume->geometry.shape) == 0) { if (sphere_within_cone(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("sphere",parent_volume->geometry.shape) == 0 && strcmp("cone",child_volume->geometry.shape) == 0) { if (cone_within_sphere(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("cone",parent_volume->geometry.shape) == 0 && strcmp("cylinder",child_volume->geometry.shape) == 0) { if (cylinder_within_cone(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("cylinder",parent_volume->geometry.shape) == 0 && strcmp("cone",child_volume->geometry.shape) == 0) { if (cone_within_cylinder(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("cone",parent_volume->geometry.shape) == 0 && strcmp("box",child_volume->geometry.shape) == 0) { if (box_within_cone(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("box",parent_volume->geometry.shape) == 0 && strcmp("cone",child_volume->geometry.shape) == 0) { if (cone_within_box(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("mesh",parent_volume->geometry.shape) == 0 && strcmp("cylinder",child_volume->geometry.shape) == 0) { if (cylinder_within_mesh(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("mesh",parent_volume->geometry.shape) == 0 && strcmp("sphere",child_volume->geometry.shape) == 0) { if (sphere_within_mesh(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("cone",parent_volume->geometry.shape) == 0 && strcmp("mesh",child_volume->geometry.shape) == 0) { if (mesh_within_cone(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("mesh",parent_volume->geometry.shape) == 0 && strcmp("cone",child_volume->geometry.shape) == 0) { if (cone_within_mesh(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("cylinder",parent_volume->geometry.shape) == 0 && strcmp("mesh",child_volume->geometry.shape) == 0) { if (cylinder_within_mesh(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("sphere",parent_volume->geometry.shape) == 0 && strcmp("mesh",child_volume->geometry.shape) == 0) { if (mesh_within_sphere(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("mesh",parent_volume->geometry.shape) == 0 && strcmp("box",child_volume->geometry.shape) == 0) { if (box_within_mesh(&child_volume->geometry,&parent_volume->geometry)) return 1; } else if (strcmp("box",parent_volume->geometry.shape) == 0 && strcmp("mesh",child_volume->geometry.shape) == 0) { if (mesh_within_box(&child_volume->geometry,&parent_volume->geometry)) return 1; } else { #ifndef OPENACC printf("Need within function for type: "); printf("%s",parent_volume->geometry.shape); printf(" and type: "); printf("%s",child_volume->geometry.shape); printf(".\n"); printf("It is not yet supported to mix mesh geometries with the basic shapes, but several mesh geometries are allowed.\n"); exit(EXIT_FAILURE); #endif } return 0; }; void generate_children_lists(struct Volume_struct **Volumes, struct pointer_to_1d_int_list **true_children_lists, int number_of_volumes, int verbal) { // This function generates a list of children for each volume. // A volume m is a child of volume n, if the entire space ocupied by volume m is inside of the space ocupied by volume n // A volume m is a true child of volume n, if the entire space coupied by volume m after it's masks are applied is inside the volume ocupied by volume n after it's masks are applied MPI_MASTER( if (verbal) printf("\nGenerating children lists --------------------------- \n"); ) // Mask update: Creating a temporary list for each volume struct pointer_to_1d_int_list *temporary_children_lists; temporary_children_lists = malloc(number_of_volumes*sizeof(struct pointer_to_1d_int_list)); if (!temporary_children_lists) { fprintf(stderr,"Failure allocating list in Union function generate_children_lists 1 - Exit!\n"); exit(EXIT_FAILURE); } // The surrounding vacuum, volume 0, done outside of for loop. temporary_children_lists[0].num_elements = number_of_volumes - 1; temporary_children_lists[0].elements = malloc(temporary_children_lists[0].num_elements*sizeof(int)); int parent; for (parent=1;parentgeometry.children.num_elements = number_of_volumes-1; Volumes[0]->geometry.children.elements = malloc((number_of_volumes-1)*sizeof(int)); if (!Volumes[0]->geometry.children.elements) { fprintf(stderr,"Failure allocating list in Union function generate_children_lists 2 - Exit!\n"); exit(EXIT_FAILURE); } true_children_lists[0] = malloc(sizeof(struct pointer_to_1d_int_list)); if (!true_children_lists[0]) { fprintf(stderr,"Failure allocating list in Union function generate_children_lists 3 - Exit!\n"); exit(EXIT_FAILURE); } true_children_lists[0]->num_elements = number_of_volumes - 1; true_children_lists[0]->elements = malloc((number_of_volumes-1)*sizeof(int)); if (!true_children_lists[0]->elements) { fprintf(stderr,"Failure allocating list in Union function generate_children_lists 4 - Exit!\n"); exit(EXIT_FAILURE); } for (parent=1;parentgeometry.children.elements[parent-1] = parent; true_children_lists[0]->elements[parent-1] = parent; } char string_output[128]; MPI_MASTER( if (verbal) sprintf(string_output,"Children for Volume %d",0); if (verbal) print_1d_int_list(Volumes[0]->geometry.children,string_output); ) // Generating the children lists for all other volumes using the appropriate geometry functions struct pointer_to_1d_int_list temp_list_local; temp_list_local.num_elements = number_of_volumes; temp_list_local.elements = malloc(number_of_volumes*sizeof(int)); if (!temp_list_local.elements) { fprintf(stderr,"Failure allocating list in Union function generate_children_lists 5 - Exit!\n"); exit(EXIT_FAILURE); } struct pointer_to_1d_int_list true_temp_list_local; true_temp_list_local.num_elements = number_of_volumes; true_temp_list_local.elements = malloc(number_of_volumes*sizeof(int)); if (!true_temp_list_local.elements) { fprintf(stderr,"Failure allocating list in Union function generate_children_lists 6 - Exit!\n"); exit(EXIT_FAILURE); } int child,used_elements,used_elements_true; for (parent=1;parentgeometry.children); // Assing the children list to a temporary list as the masks have yet to be taken into account temporary_children_lists[parent].num_elements=0; allocate_list_from_temp(used_elements_true,true_temp_list_local,&temporary_children_lists[parent]); MPI_MASTER( if (verbal) sprintf(string_output,"Children for Volume %d (temporary_list)",parent); if (verbal) print_1d_int_list(temporary_children_lists[parent],string_output); ) MPI_MASTER( if (verbal) sprintf(string_output,"Children for Volume %d (permanent_list)",parent); if (verbal) print_1d_int_list(Volumes[parent]->geometry.children,string_output); ) } // mask update: // The logical expression: (child c parent AND child c parent_mask) OR (child_mask c parent AND child_mask c parent_mask) // needs to be evaluated for each child / parent combination in order to take the masks of each into account int logic_var1,logic_var2,logic_var_ANY,logic_var_ALL; int mask_index,mask_index_child,mask_index_parent; int volume_C,volume_P; // Loop that takes masks into account for (parent=1;parentgeometry.masked_by_list,child)) { // The children list for each volume does not need to contain the volume itself // And a parent masked by it's child can not have that mask as a child // Here c means within in the sense of a set being part of another set // Logical expression to be evaluated: (child c parent AND child c parent_mask) OR (child_mask c parent AND child_mask c parent_mask) logic_var1 = on_int_list(temporary_children_lists[parent],child); if (logic_var1 == 1 && Volumes[parent]->geometry.is_masked_volume == 1) { // if the parent volume is masked, the child also need to be inclosed in these masks to fulfill this side of the logical expression logic_var_ANY = 0; for (mask_index=0;mask_indexgeometry.masked_by_list.num_elements;mask_index++) { if (0 == on_int_list(temporary_children_lists[Volumes[parent]->geometry.masked_by_list.elements[mask_index]],child)) { if (Volumes[parent]->geometry.mask_mode == 1) { logic_var1 = 0; break; } } else logic_var_ANY = 1; } if (Volumes[parent]->geometry.mask_mode == 2) logic_var1 = logic_var_ANY; } if (logic_var1 == 1) true_temp_list_local.elements[used_elements++] = child; else if (Volumes[child]->geometry.is_masked_volume == 1) { // If the first side of the logical expression is false, evalute the other side // The other side is only relevant if the child volume is masked, otherwise it is ignored //printf("Second side of logical expression \n"); logic_var1 = 1; // Assume true // child_mask c parent logic_var_ALL = 0; for (mask_index=0;mask_indexgeometry.masked_by_list.num_elements;mask_index++) { if (0 == on_int_list(temporary_children_lists[parent],Volumes[child]->geometry.masked_by_list.elements[mask_index])){ if (Volumes[child]->geometry.mask_mode == 2) { logic_var1 = 0; break; } } else logic_var_ALL = 1; } if (Volumes[child]->geometry.mask_mode == 1) logic_var1 = logic_var_ALL; // This line allows the second part of the logical expression to be true in cases where the parent volume is not masked if (logic_var1 == 1 && Volumes[parent]->geometry.is_masked_volume == 0) true_temp_list_local.elements[used_elements++] = child; // There is no reason to check the other part (child_mask c parent_mask) if the first part was not true if (logic_var1 == 1 && Volumes[parent]->geometry.is_masked_volume == 1) { // This last part requires both the child and the parent to be masked // Need to evaluate (child_mask c parent_mask), where both can be a be a list of volume with ALL/ANY modes if (Volumes[parent]->geometry.mask_mode == 1) { logic_var2 = 1; // Assume the logical expression (child_mask c parent_mask) is true for (mask_index_parent=0;mask_index_parentgeometry.masked_by_list.num_elements;mask_index_parent++) { // As the parent is in ALL mode, the child masks must be within ALL parent masks logic_var_ANY = 0; // Assume not a single child is within this parent for (mask_index_child=0;mask_index_childgeometry.masked_by_list.num_elements;mask_index_child++) { volume_P = Volumes[parent]->geometry.masked_by_list.elements[mask_index_parent]; volume_C = Volumes[child]->geometry.masked_by_list.elements[mask_index_child]; // Is volume C inside volume P? If yes, volume C must be on volume P's temporary children list if (0 == on_int_list(temporary_children_lists[volume_P],volume_C)) { if (Volumes[child]->geometry.mask_mode == 2) { // If child is in ANY mode, any one mask outside is enough to make the expression false logic_var2 = 0; break; } } else logic_var_ANY = 1; } // If child is in ALL mode, then if any one child were within this mask, the logic expression holds true if (Volumes[child]->geometry.mask_mode == 1) logic_var2 = logic_var_ANY; if (logic_var2 == 0) break; // No need to continue } } else if (Volumes[parent]->geometry.mask_mode == 2) { // If the parent is in ANY mode, it is enough if the child masks are within just 1 of the parent masks for (mask_index_parent=0;mask_index_parentgeometry.masked_by_list.num_elements;mask_index_parent++) { logic_var2 = 1; // Assume the logical expression (child_mask c parent_mask) is true logic_var_ANY = 0; // Assume not a single child is within this parent for (mask_index_child=0;mask_index_childgeometry.masked_by_list.num_elements;mask_index_child++) { volume_P = Volumes[parent]->geometry.masked_by_list.elements[mask_index_parent]; volume_C = Volumes[child]->geometry.masked_by_list.elements[mask_index_child]; // Is volume C inside volume P? If yes, volume C must be on volume P's temporary children list if (0 == on_int_list(temporary_children_lists[volume_P],volume_C)) { if (Volumes[child]->geometry.mask_mode == 2) { // If child is in ANY mode, any one mask outside is enough to make the expression false logic_var2 = 0; break; } } else logic_var_ANY = 1; } // If child is in ALL mode, then if any one child were within this mask, the logic expression holds true if (Volumes[child]->geometry.mask_mode == 1) logic_var2 = logic_var_ANY; if (logic_var2 == 1) break; // No need to continue } } // if this point is reached, and logic_var2 is true, volume[child] is a child of volume[parent] if (logic_var2 == 1) true_temp_list_local.elements[used_elements++] = child; } } } } true_children_lists[parent] = malloc(sizeof(struct pointer_to_1d_int_list)); if (!true_children_lists[parent]) { fprintf(stderr,"Failure allocating list in Union function generate_children_lists 7 - Exit!\n"); exit(EXIT_FAILURE); } true_children_lists[parent]->num_elements = 0; allocate_list_from_temp(used_elements,true_temp_list_local,true_children_lists[parent]); MPI_MASTER( if (verbal) sprintf(string_output,"True children for Volume (post mask) %d",parent); if (verbal) print_1d_int_list(*true_children_lists[parent],string_output); ) } // Clean up of dynamically allocated memory for(child=0;childnum_elements = number_of_volumes-1; true_overlap_lists[0]->elements = malloc((number_of_volumes-1)*sizeof(int)); if (!true_overlap_lists[0]->elements) { fprintf(stderr,"Failure allocating list in Union function generate_overlap_lists 3 - Exit!\n"); exit(EXIT_FAILURE); } raw_overlap_lists[0] = malloc(sizeof(struct pointer_to_1d_int_list)); if (!raw_overlap_lists[0]) { fprintf(stderr,"Failure allocating list in Union function generate_overlap_lists 4 - Exit!\n"); exit(EXIT_FAILURE); } raw_overlap_lists[0]->num_elements = number_of_volumes; raw_overlap_lists[0]->elements = malloc(number_of_volumes*sizeof(int)); if (!raw_overlap_lists[0]->elements) { fprintf(stderr,"Failure allocating list in Union function generate_overlap_lists 5 - Exit!\n"); exit(EXIT_FAILURE); } raw_overlap_lists[0]->elements[0] = 0; // Volume 0 overlaps itself int parent; for (parent=1;parentelements[parent-1] = parent; raw_overlap_lists[0]->elements[parent] = parent; } char string_output[128]; MPI_MASTER( if (verbal) sprintf(string_output,"Overlaps for Volume %d",0); if (verbal) print_1d_int_list(*true_overlap_lists[0],string_output); ) // Generate the overlap lists for the remaining volumes struct pointer_to_1d_int_list temp_list_local; temp_list_local.num_elements = number_of_volumes; temp_list_local.elements = malloc(number_of_volumes*sizeof(int)); if (!temp_list_local.elements) { fprintf(stderr,"Failure allocating list in Union function generate_overlap_lists 6 - Exit!\n"); exit(EXIT_FAILURE); } int child,used_elements; // Create overlap for the remaining volumes for (parent=1;parentgeometry.shape) == 0 && strcmp("sphere",Volumes[child]->geometry.shape) == 0) { if (sphere_overlaps_sphere(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("cylinder",Volumes[parent]->geometry.shape) == 0 && strcmp("cylinder",Volumes[child]->geometry.shape) == 0) { if (cylinder_overlaps_cylinder(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("box",Volumes[parent]->geometry.shape) == 0 && strcmp("box",Volumes[child]->geometry.shape) == 0) { if (box_overlaps_box(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("cone",Volumes[parent]->geometry.shape) == 0 && strcmp("cone",Volumes[child]->geometry.shape) == 0) { if (cone_overlaps_cone(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("mesh",Volumes[parent]->geometry.shape) == 0 && strcmp("mesh",Volumes[child]->geometry.shape) == 0) { if (mesh_overlaps_mesh(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("box",Volumes[parent]->geometry.shape) == 0 && strcmp("cylinder",Volumes[child]->geometry.shape) == 0) { if (box_overlaps_cylinder(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("cylinder",Volumes[parent]->geometry.shape) == 0 && strcmp("box",Volumes[child]->geometry.shape) == 0) { if (cylinder_overlaps_box(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("box",Volumes[parent]->geometry.shape) == 0 && strcmp("sphere",Volumes[child]->geometry.shape) == 0) { if (box_overlaps_sphere(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("sphere",Volumes[parent]->geometry.shape) == 0 && strcmp("box",Volumes[child]->geometry.shape) == 0) { if (sphere_overlaps_box(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("sphere",Volumes[parent]->geometry.shape) == 0 && strcmp("cylinder",Volumes[child]->geometry.shape) == 0) { if (sphere_overlaps_cylinder(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("cylinder",Volumes[parent]->geometry.shape) == 0 && strcmp("sphere",Volumes[child]->geometry.shape) == 0) { if (cylinder_overlaps_sphere(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("cone",Volumes[parent]->geometry.shape) == 0 && strcmp("sphere",Volumes[child]->geometry.shape) == 0) { if (cone_overlaps_sphere(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("sphere",Volumes[parent]->geometry.shape) == 0 && strcmp("cone",Volumes[child]->geometry.shape) == 0) { if (sphere_overlaps_cone(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("cone",Volumes[parent]->geometry.shape) == 0 && strcmp("cylinder",Volumes[child]->geometry.shape) == 0) { if (cone_overlaps_cylinder(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("cylinder",Volumes[parent]->geometry.shape) == 0 && strcmp("cone",Volumes[child]->geometry.shape) == 0) { if (cylinder_overlaps_cone(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("cone",Volumes[parent]->geometry.shape) == 0 && strcmp("box",Volumes[child]->geometry.shape) == 0) { if (cone_overlaps_box(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("box",Volumes[parent]->geometry.shape) == 0 && strcmp("cone",Volumes[child]->geometry.shape) == 0) { if (box_overlaps_cone(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("mesh",Volumes[parent]->geometry.shape) == 0 && strcmp("sphere",Volumes[child]->geometry.shape) == 0) { if (mesh_overlaps_sphere(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("mesh",Volumes[parent]->geometry.shape) == 0 && strcmp("cylinder",Volumes[child]->geometry.shape) == 0) { if (mesh_overlaps_cylinder(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("mesh",Volumes[parent]->geometry.shape) == 0 && strcmp("box",Volumes[child]->geometry.shape) == 0) { if (mesh_overlaps_box(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("mesh",Volumes[parent]->geometry.shape) == 0 && strcmp("cone",Volumes[child]->geometry.shape) == 0) { if (mesh_overlaps_cone(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("sphere",Volumes[parent]->geometry.shape) == 0 && strcmp("mesh",Volumes[child]->geometry.shape) == 0) { if (sphere_overlaps_mesh(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("cylinder",Volumes[parent]->geometry.shape) == 0 && strcmp("mesh",Volumes[child]->geometry.shape) == 0) { if (cylinder_overlaps_mesh(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("box",Volumes[parent]->geometry.shape) == 0 && strcmp("mesh",Volumes[child]->geometry.shape) == 0) { if (box_overlaps_mesh(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else if (strcmp("cone",Volumes[parent]->geometry.shape) == 0 && strcmp("mesh",Volumes[child]->geometry.shape) == 0) { if (cone_overlaps_mesh(&Volumes[parent]->geometry,&Volumes[child]->geometry)) temp_list_local.elements[used_elements++] = child; } else { printf("Need overlap function for type: "); printf("%s",Volumes[parent]->geometry.shape); printf(" and type: "); printf("%s",Volumes[child]->geometry.shape); printf(".\n"); exit(1); } } } //allocate_list_from_temp(used_elements,temp_list_local,overlap_lists[parent]); allocate_list_from_temp(used_elements,temp_list_local,&temporary_overlap_lists[parent]); // Save the raw overlap data to the raw_overlap_lists[parent] list raw_overlap_lists[parent] = malloc(sizeof(struct pointer_to_1d_int_list)); if (!raw_overlap_lists[parent]) { fprintf(stderr,"Failure allocating list in Union function generate_overlap_lists 8 - Exit!\n"); exit(EXIT_FAILURE); } raw_overlap_lists[parent]->num_elements = 0; allocate_list_from_temp(used_elements,temp_list_local,raw_overlap_lists[parent]); if (verbal) sprintf(string_output,"Overlaps for Volume (pre mask) %d",parent); MPI_MASTER( if (verbal) print_1d_int_list(temporary_overlap_lists[parent],string_output); ) } // The temporary_overlap_lists gives the raw overlap data for all volume pairs // The next tasks is to take the masks into account, so that a volume is only said to overlap another if all of these statements are true: // The volumes overlap each other // The mask's of volume 1 overlap volume 2 // The mask's of volume 2 overlap volume 1 // The mask's of volume 1 overlap the masks of volume 2 int logic_var; int overlap_ANY,overlap_ANY_p,overlap_ANY_c; int mask_index,mask_index_c,mask_index_p; int mask_volume_index,mask_volume_index_p,mask_volume_index_c; for (parent=1;parentgeometry.is_masked_volume == 1) { overlap_ANY = 0; for (mask_index=0;mask_indexgeometry.masked_by_list.num_elements;mask_index++) { mask_volume_index = Volumes[parent]->geometry.masked_by_list.elements[mask_index]; if (0 == on_int_list(temporary_overlap_lists[mask_volume_index],child)) { if (Volumes[parent]->geometry.mask_mode == 1) { logic_var = 0; break; } } else overlap_ANY = 1; } if (Volumes[parent]->geometry.mask_mode == 2) logic_var = overlap_ANY; } // Check if parent overlap with childs masks if (logic_var == 1 && Volumes[child]->geometry.is_masked_volume == 1) { overlap_ANY = 0; for (mask_index=0;mask_indexgeometry.masked_by_list.num_elements;mask_index++) { mask_volume_index = Volumes[child]->geometry.masked_by_list.elements[mask_index]; if (0 == on_int_list(temporary_overlap_lists[mask_volume_index],parent)) { if (Volumes[child]->geometry.mask_mode == 1) { logic_var = 0; break; } } else overlap_ANY = 1; } if (Volumes[child]->geometry.mask_mode == 2) logic_var = overlap_ANY; } // Check if parents masks overlap childrens masks if (logic_var == 1 && Volumes[parent]->geometry.is_masked_volume == 1 && Volumes[child]->geometry.is_masked_volume == 1) { overlap_ANY = 0; for (mask_index_p=0;mask_index_pgeometry.masked_by_list.num_elements;mask_index_p++) { mask_volume_index_p = Volumes[parent]->geometry.masked_by_list.elements[mask_index_p]; overlap_ANY_p = 1; overlap_ANY_c = 0; for (mask_index_c=0;mask_index_cgeometry.masked_by_list.num_elements;mask_index_c++) { mask_volume_index_c = Volumes[child]->geometry.masked_by_list.elements[mask_index_c]; if (0 == on_int_list(temporary_overlap_lists[mask_volume_index_p],mask_volume_index_c)) { if (Volumes[parent]->geometry.mask_mode == 1 && Volumes[child]->geometry.mask_mode == 1) { // If both are in ALL mode and just one combination of masks does not overlap, neither does the common set logic_var = 0; break; } if (Volumes[parent]->geometry.mask_mode == 2 && Volumes[child]->geometry.mask_mode == 1) { // If the parent is in ANY mode, but the child is in ALL, any one child not overlapping this parent mask, stops the chance for this parent mask overlap_ANY_p = 0; break; } } else { // Here because mask_volume_index_p and mask_volume_index_c does overlap if (Volumes[parent]->geometry.mask_mode == 1 && Volumes[child]->geometry.mask_mode == 2) { // If the parent is in ALL mode and the child is in ANY mode, stop if a single parent volume does not overlap any child overlap_ANY_c = 1; } if (Volumes[parent]->geometry.mask_mode == 2 && Volumes[child]->geometry.mask_mode == 2) { // If both parent and child are in any mode, any one overlap between the masks is sufficient overlap_ANY = 1; // Could actually just commit to the overlap list here, and stop all loops. } } } if (Volumes[parent]->geometry.mask_mode == 1 && Volumes[child]->geometry.mask_mode == 2) logic_var = overlap_ANY_c; if (Volumes[parent]->geometry.mask_mode == 2 && Volumes[child]->geometry.mask_mode == 1 && overlap_ANY_p == 1) { // When parent is in any mode, and child is in ALL mode, any parent mask that overlaps all children masks is enough to end the parent loop logic_var = 1; break; // Without this break, only the last parent will matter } // if (overlap_ANY == 1) break; would speed things up a bit, but only after testing has been started and then it will be repeated } if (Volumes[parent]->geometry.mask_mode == 2 && Volumes[child]->geometry.mask_mode == 2) logic_var = overlap_ANY; // If both volumes have the ANY mode, just one case of overlap is enough. } // If all of the 4 statements above evaluate to true, the two volumes parent and child do overlap and it is added to the list. if (logic_var == 1) temp_list_local.elements[used_elements++] = child; } } // Allocate the actual overlap list with the new temp_list_local allocate_list_from_temp(used_elements,temp_list_local,true_overlap_lists[parent]); if (verbal) sprintf(string_output,"Overlaps for Volume (post mask) %d",parent); MPI_MASTER( if (verbal) print_1d_int_list(*true_overlap_lists[parent],string_output); ) } // Clean up of dynamically allocated memory for(child=1;childnum_elements; logic_list.elements = malloc(logic_list.num_elements * sizeof(int)); if (!logic_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_overlap_lists 9 - Exit!\n"); exit(EXIT_FAILURE); } // Declare similar list for List A struct pointer_to_1d_int_list mask_logic_list; mask_logic_list.num_elements = overlap_lists[0]->num_elements; mask_logic_list.elements = malloc(mask_logic_list.num_elements * sizeof(int)); if (!mask_logic_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_overlap_lists 10 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; int overlap_index; // The intersect check lists for the remaining volumes are generated int volume_index,mask_volume_number,mask_index; for (volume_index = 0;volume_index < number_of_volumes;volume_index++) { // 1) Take overlap list for volume n logic_list.num_elements = overlap_lists[volume_index]->num_elements; logic_list.elements = malloc(logic_list.num_elements * sizeof(int)); if (!logic_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_overlap_lists 11 - Exit!\n"); exit(EXIT_FAILURE); } mask_logic_list.num_elements = overlap_lists[volume_index]->num_elements; mask_logic_list.elements = malloc(mask_logic_list.num_elements * sizeof(int)); if (!mask_logic_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_overlap_lists 11 - Exit!\n"); exit(EXIT_FAILURE); } if (Volumes[volume_index]->geometry.is_mask_volume == 1) { // Masks do not have any entries on their intersect check list, as they are never the current volume for (iterate=0;iteratenum_elements;overlap_index++) { if (overlap_lists[volume_index]->elements[overlap_index] == 0) logic_list.elements[overlap_index] = 0; // The surrounding vacuum has lower priority (and is not a mask) else if (Volumes[overlap_lists[volume_index]->elements[overlap_index]]->geometry.is_mask_volume == 1) { logic_list.elements[overlap_index] = 0; // Remove this volume from the main list mask_logic_list.elements[overlap_index] = 1; // Add mask volumes to seperat list } else if (volume_index != 0) { // Only relevant to remove elements because of priority if the volume_index is different from 0, meaning the surrounding vacuum skips this step if (Volumes[overlap_lists[volume_index]->elements[overlap_index]]->geometry.priority_value < Volumes[volume_index]->geometry.priority_value) { // If the investigated volume on the overlap_list have lower priority than the volume with volume_index, remove it logic_list.elements[overlap_index] = 0; // Remove this volume from the list } } } // 3) Entries with parents on the list are removed for (overlap_index = 0;overlap_index < overlap_lists[volume_index]->num_elements;overlap_index++) { // Check if this overlap_lists[0]->elements[overlap_index] is a child of another member of the overlap list for (iterate = 0;iterate < overlap_lists[volume_index]->num_elements;iterate++) { if (iterate != overlap_index) { // Only necessary if a volume determines that it has itself as child, but a nice safety. // We are now checking if Volumes[overlap_lists[volume_index]->elements[iterate]]->geometry.children contains overlap_lists[overlap_index] // The && part is needed because we do not remove children of elements that have allready been removed because of their priority // if (on_int_list(Volumes[overlap_lists[volume_index]->elements[iterate]]->geometry.children,overlap_lists[volume_index]->elements[overlap_index]) && logic_list.elements[overlap_lists[volume_index]->elements[iterate]] == 1) {logic_list.elements[overlap_index] = 0; bug fixed on 3/4 2016 if (on_int_list(Volumes[overlap_lists[volume_index]->elements[iterate]]->geometry.children,overlap_lists[volume_index]->elements[overlap_index]) && logic_list.elements[iterate] == 1) logic_list.elements[overlap_index] = 0; /* Explanation with simpler notation Overlap list of volume i = O_i Element j of overlap list i = O_i(j) Children list of volume i = C_i Element j on children list i = C_i(j) Priority of volume i p(i) for i = volumes for j in O_i(j) logic(j) = 1; if p(i) > p(O_i(j)) logic(j) = 0; // Remove if lower priority than the currently checked for k in O_i(k) if (O_i(j) is contained on the list C_k && logic(k) == 1) logic(j) = 0 */ // 4) Entries with parents on the A list, are moved to the appropriate mask list for this volume if (on_int_list(Volumes[overlap_lists[volume_index]->elements[iterate]]->geometry.children,overlap_lists[volume_index]->elements[overlap_index]) && mask_logic_list.elements[iterate] == 1) { logic_list.elements[overlap_index] = 0; // Remove from main list (Not strictly needed as it will be removed already if it is on list A) // Add overlap_lists[volume_index]->elements[overlap_index] to volumes mask intersect list for mask with index overlap_lists[volume_index]->elements[iterate] //add_to_mask_intersect_lists(&Volumes[volume_index]->geometry.mask_intersect_lists,overlap_lists[volume_index]->elements[iterate],overlap_lists[volume_index]->elements[overlap_index]); // Simpler method that just collects all the masked intersect parts on a 1d_int list instead of seperating them for each mask add_to_mask_intersect_list(&Volumes[volume_index]->geometry.mask_intersect_list,overlap_lists[volume_index]->elements[overlap_index]); } } } } // 5) Entries on list A are added again, if they are not parents of volume n // Time to add mask volumes removed back to the intersect list, if they are not parents of the current volume, meaning the current volume should not be a child of the mask for (overlap_index = 0;overlap_index < overlap_lists[volume_index]->num_elements;overlap_index++) { if (mask_logic_list.elements[overlap_index] == 1) { mask_volume_number = overlap_lists[volume_index]->elements[overlap_index]; if (on_int_list(Volumes[mask_volume_number]->geometry.children,volume_index) == 0) logic_list.elements[overlap_index] = 1; // Add it back to the list } } // 6) Entries on the main list that are masked are moved to the appropriate mask list for this volume, if their mask is on list A int mask_index,mask_mode,found_index,logic_ALL; for (overlap_index = 0;overlap_index < overlap_lists[volume_index]->num_elements;overlap_index++) { if (logic_list.elements[overlap_index] == 1 && Volumes[overlap_lists[volume_index]->elements[overlap_index]]->geometry.is_masked_volume == 1) { logic_list.elements[overlap_index] = 0; // If the volume is masked, remove it from the intersect check list // Could actually keep it on the intersect list if the volume's mask is a parent of the current volume, now it will just be added in all cases // When ALL setting is used, all masks should overlap the current volume, otherwise the user probably made a mistake, this should be checked in error checking // When ANY setting is used, at least one mask should overlap the current volume, otherwise the user probably made a mistake, this should be checked in error checking // mask_mode == 1 => ALL / mask_mode == 2 => ANY mask_mode = Volumes[overlap_lists[volume_index]->elements[overlap_index]]->geometry.mask_mode; if (mask_mode == 1) { logic_ALL = 1; for (iterate=0;iterateelements[overlap_index]]->geometry.masked_by_list.num_elements;iterate++) { mask_index = Volumes[overlap_lists[volume_index]->elements[overlap_index]]->geometry.masked_by_list.elements[iterate]; if (on_int_list(*overlap_lists[volume_index],mask_index) == 0) { // If any one of the volumes masks do not overlap with this volume, there is no reason check intersections with the volume regardless of the mask status's logic_ALL = 0; break; } } if (logic_ALL == 1) { // If all of it's masks are overlapping the current volume, add it to all relevant mask intersect lists of this volume for (iterate=0;iterateelements[overlap_index]]->geometry.masked_by_list.num_elements;iterate++) { mask_index = Volumes[overlap_lists[volume_index]->elements[overlap_index]]->geometry.masked_by_list.elements[iterate]; //add_to_mask_intersect_lists(&Volumes[volume_index]->geometry.mask_intersect_lists,mask_index,overlap_lists[volume_index]->elements[overlap_index]); // Adding the masked intersect list elements to another list add_to_mask_intersect_list(&Volumes[volume_index]->geometry.mask_intersect_list,overlap_lists[volume_index]->elements[overlap_index]); } } } else if (mask_mode == 2) { // When in ANY mode, the problem is easier, as not all masks have to overlap the volume, and we can add each one to the list for (iterate=0;iterateelements[overlap_index]]->geometry.masked_by_list.num_elements;iterate++) { mask_index = Volumes[overlap_lists[volume_index]->elements[overlap_index]]->geometry.masked_by_list.elements[iterate]; if (on_int_list(*overlap_lists[volume_index],mask_index) == 1) { //add_to_mask_intersect_lists(&Volumes[volume_index]->geometry.mask_intersect_lists,mask_index,overlap_lists[volume_index]->elements[overlap_index]); // Adding the masked intersect list elements to another list add_to_mask_intersect_list(&Volumes[volume_index]->geometry.mask_intersect_list,overlap_lists[volume_index]->elements[overlap_index]); } } } } } Volumes[volume_index]->geometry.intersect_check_list.num_elements = sum_int_list(logic_list); Volumes[volume_index]->geometry.intersect_check_list.elements = malloc(Volumes[volume_index]->geometry.intersect_check_list.num_elements * sizeof(int)); if (!Volumes[volume_index]->geometry.intersect_check_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_overlap_lists 12 - Exit!\n"); exit(EXIT_FAILURE); } iterate = 0; for (overlap_index = 0;overlap_index < overlap_lists[volume_index]->num_elements;overlap_index++) { if (logic_list.elements[overlap_index]) Volumes[volume_index]->geometry.intersect_check_list.elements[iterate++] = overlap_lists[volume_index]->elements[overlap_index]; } free(logic_list.elements); // Need to be careful with names for variables to be freed, as they can collide with names in main because of automatic declaration of external variables free(mask_logic_list.elements); char string_output[128]; MPI_MASTER( if (verbal) sprintf(string_output,"Intersect check list for Volume %d",volume_index); if (verbal) print_1d_int_list(Volumes[volume_index]->geometry.intersect_check_list,string_output); if (verbal) sprintf(string_output,"Mask intersect check list for Volume %d",volume_index); if (verbal) print_1d_int_list(Volumes[volume_index]->geometry.mask_intersect_list,string_output) ); } }; void generate_parents_lists(struct pointer_to_1d_int_list **parents_lists, struct Volume_struct **Volumes, int number_of_volumes, int verbal, int mask_mode) { // Function for generating parent lists for all volumes // A volume m has n as a parent, if volume n has volume m as a child // if mask_mode == 0, masks are ignored, if mask_mode == 1, masks are taken into account. MPI_MASTER( if (verbal) { if (mask_mode == 1) printf("\nGenerating parents lists ---------------------------- \n"); else if (mask_mode == 0) printf("\nGenerating parents lists (ignoring masks) ----------- \n"); else { printf("Error, the function parents_lists got a non defined mask_mode"); exit(EXIT_FAILURE); } } ) // Volume iterate has volume p as a parent, if volume p has volume iterate as child. struct pointer_to_1d_int_list temp_list_local; temp_list_local.num_elements = number_of_volumes; temp_list_local.elements = malloc(number_of_volumes*sizeof(int)); if (!temp_list_local.elements) { fprintf(stderr,"Failure allocating list in Union function generate_parents_lists 1 - Exit!\n"); exit(EXIT_FAILURE); } // Loop over int iterate,parent,used_elements; for (iterate = 0;iterate < number_of_volumes;iterate++) { // clear temp list used_elements = 0; parents_lists[iterate] = malloc(sizeof(struct pointer_to_1d_int_list)); if (!parents_lists[iterate]) { fprintf(stderr,"Failure allocating list in Union function generate_parents_lists 2 - Exit!\n"); exit(EXIT_FAILURE); } for (parent = 0;parent < number_of_volumes;parent++) { if (on_int_list(Volumes[parent]->geometry.children,iterate)) if (mask_mode == 1 || (Volumes[parent]->geometry.is_mask_volume == 0 && Volumes[iterate]->geometry.is_mask_volume == 0)) temp_list_local.elements[used_elements++] = parent; } allocate_list_from_temp(used_elements,temp_list_local,parents_lists[iterate]); char string_output[128]; MPI_MASTER( if (verbal) sprintf(string_output,"Parents for Volume %d",iterate); if (verbal) print_1d_int_list(*parents_lists[iterate],string_output); ) } free(temp_list_local.elements); }; void generate_true_parents_lists(struct pointer_to_1d_int_list **parents_lists, struct pointer_to_1d_int_list **true_children_lists, struct Volume_struct **Volumes, int number_of_volumes, int verbal, int mask_mode) { // Function for generating parent lists for all volumes // A volume m has n as a parent, if volume n has volume m as a child // if mask_mode == 0, masks are ignored, if mask_mode == 1, masks are taken into account. MPI_MASTER( if (verbal) { if (mask_mode == 1) printf("\nGenerating parents lists ---------------------------- \n"); else if (mask_mode == 0) printf("\nGenerating parents lists (ignoring masks) ----------- \n"); else { printf("Error, the function parents_lists got a non defined mask_mode"); exit(EXIT_FAILURE); } } ) // Volume iterate has volume p as a parent, if volume p has volume iterate as child. struct pointer_to_1d_int_list temp_list_local; temp_list_local.num_elements = number_of_volumes; temp_list_local.elements = malloc(number_of_volumes*sizeof(int)); if (!temp_list_local.elements) { fprintf(stderr,"Failure allocating list in Union function generate_true_parents_lists 1 - Exit!\n"); exit(EXIT_FAILURE); } // Loop over int iterate,parent,used_elements; for (iterate = 0;iterate < number_of_volumes;iterate++) { // clear temp list used_elements = 0; parents_lists[iterate] = malloc(sizeof(struct pointer_to_1d_int_list)); // allocate_list_from_temp allocates if (!parents_lists[iterate]) { fprintf(stderr,"Failure allocating list in Union function generate_true_parents_lists 2 - Exit!\n"); exit(EXIT_FAILURE); } for (parent = 0;parent < number_of_volumes;parent++) { //if (on_int_list(Volumes[parent]->geometry.children,iterate)) if (on_int_list(*true_children_lists[parent],iterate)) if (mask_mode == 1 || (Volumes[parent]->geometry.is_mask_volume == 0 && Volumes[iterate]->geometry.is_mask_volume == 0)) temp_list_local.elements[used_elements++] = parent; } allocate_list_from_temp(used_elements,temp_list_local,parents_lists[iterate]); char string_output[128]; MPI_MASTER( if (verbal) sprintf(string_output,"Parents for Volume %d",iterate); if (verbal) print_1d_int_list(*parents_lists[iterate],string_output); ) } free(temp_list_local.elements); }; void generate_intersect_check_lists_experimental(struct pointer_to_1d_int_list **true_overlap_lists, struct pointer_to_1d_int_list **raw_overlap_lists, struct pointer_to_1d_int_list **parents_lists, struct pointer_to_1d_int_list **true_parents_lists , struct Volume_struct **Volumes, int number_of_volumes, int verbal) { // Generates the intersect_check_list and mask_intersect_list for each Volume. /* Description of needed lists for volume n: Children list: List of volumes that is contained within volume n (is stored in the Volumes struct) True Children list: List of volumes that when masked by their masks is contained within volume n when masked by it's masks Parents list: List of volumes that contains volume n True parents list: List of volumes that when masked by their masks contains volume n when it is masked by it's masks raw overlap list: List of volumes whos geometry overlaps the geometry of volume n true overlap list: List of volumes whos geometry overlaps the geometry of volume n when the masks of both volumes are applied The algorithm: 1) Take the true overlap list for volume n 2) remove parents of n (normal parent list, with masks) 3) remove volumes that do not mask n and are true parents of n 4) remove volumes that are not masks and have lower priority than n 5) remove volumes that have at least one true parent on the list (in step 4) that is not a mask volume 6) split the list into two, the intersect_check_list which is all non masked volumes still on the list, and the mask_intersect_list which is the masked volumes 7) remove volumes on the mask_intersect_list whos mask does not overlap (standard overlap list) n In step 5 the order in which the volumes are tested and removed may matter, so it is specifically stated that it is as the list looked in step 4. */ MPI_MASTER( if (verbal) printf("\nGenerating intersect check lists -------------------- \n"); ) struct pointer_to_1d_int_list work_list; struct pointer_to_1d_int_list logic_list; int volume_index,iterate,parent,mask_index,masked_volume_index,ANY_logic,true_parent_volume_number; int *mask_check,*mask_start; for (volume_index = 0;volume_index < number_of_volumes;volume_index++) { // 1) Take the true overlap list for volume n // Create copy of true_overlap_lists to work with if (Volumes[volume_index]->geometry.is_mask_volume == 1) { // Bug fixed on 26/11/2016, do not create intersection lists for masks as they are not used, and affects destinations lists in a problematic way Volumes[volume_index]->geometry.intersect_check_list.num_elements = 0; Volumes[volume_index]->geometry.mask_intersect_list.num_elements = 0; } else { work_list.num_elements = true_overlap_lists[volume_index]->num_elements; work_list.elements = malloc(work_list.num_elements * sizeof(int)); if (!work_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_intersect_check_lists_experimental 1 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iterateelements[iterate]; //if (verbal) print_1d_int_list(work_list,"After 1)"); //2) remove parents of n (normal parent list, with masks) for (iterate=work_list.num_elements-1;iterate>-1;iterate--) { if (on_int_list(*parents_lists[volume_index],work_list.elements[iterate])) remove_element_in_list_by_index(&work_list,iterate); } //if (verbal) print_1d_int_list(work_list,"After 2)"); //3) remove volumes that do not mask n and are true parents of n for (iterate=work_list.num_elements-1;iterate>-1;iterate--) { if (on_int_list(Volumes[volume_index]->geometry.masked_by_list,work_list.elements[iterate]) == 0 && on_int_list(*true_parents_lists[volume_index],work_list.elements[iterate])) remove_element_in_list_by_index(&work_list,iterate); } //if (verbal) print_1d_int_list(work_list,"After 3)"); //4) remove volumes that are not masks and have lower priority than n for (iterate=work_list.num_elements-1;iterate>-1;iterate--) { if (Volumes[work_list.elements[iterate]]->geometry.is_mask_volume == 0 && Volumes[work_list.elements[iterate]]->geometry.priority_value < Volumes[volume_index]->geometry.priority_value) remove_element_in_list_by_index(&work_list,iterate); } //if (verbal) print_1d_int_list(work_list,"After 4)"); //5) remove volumes that have at least one true parent on the list (in step 4) that is not a mask volume // Here a logic_list is used to not have the order of removal matter logic_list.num_elements = work_list.num_elements; logic_list.elements = malloc(logic_list.num_elements * sizeof(int)); if (!logic_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_intersect_check_lists_experimental 2 - Exit!\n"); exit(EXIT_FAILURE); } for(iterate=0;iteratenum_elements;parent++) { true_parent_volume_number = true_parents_lists[work_list.elements[iterate]]->elements[parent]; if (on_int_list(work_list,true_parent_volume_number) && Volumes[true_parent_volume_number]->geometry.is_mask_volume == 0) { // Since element number iterate on the work list have a true parent on the work list, it can be removed logic_list.elements[iterate] = 0; break; } } } // Now the elements marked for removal can be removed without interfering in the operation for (iterate=work_list.num_elements-1;iterate>-1;iterate--) { if (logic_list.elements[iterate] == 0) remove_element_in_list_by_index(&work_list,iterate); } free(logic_list.elements); //if (verbal) print_1d_int_list(work_list,"After 5)"); //6) split the list into two, the intersect_check_list which is all non masked volumes still on the list, and the mask_intersect_list which is the masked volumes Volumes[volume_index]->geometry.intersect_check_list.num_elements = 0; Volumes[volume_index]->geometry.mask_intersect_list.num_elements = 0; for (iterate=0;iterategeometry.is_masked_volume == 1) { add_element_to_int_list(&Volumes[volume_index]->geometry.mask_intersect_list,work_list.elements[iterate]); } else { add_element_to_int_list(&Volumes[volume_index]->geometry.intersect_check_list,work_list.elements[iterate]); } } //if (verbal) print_1d_int_list(Volumes[volume_index]->geometry.intersect_check_list,"After 6) intersect_check_list"); //if (verbal) print_1d_int_list(Volumes[volume_index]->geometry.mask_intersect_list,"After 6) mask_intersect_list"); //7) remove volumes on the mask_intersect_list whos masks does not overlap (standard overlap list) n for (iterate=Volumes[volume_index]->geometry.mask_intersect_list.num_elements-1;iterate>-1;iterate--) { // Need to check if the volumes masking Volumes[volume_index]->geometry.mask_intersect_list.elements[iterate] overlaps with n masked_volume_index = Volumes[volume_index]->geometry.mask_intersect_list.elements[iterate]; if (Volumes[masked_volume_index]->geometry.mask_mode == 1) {// All mode, if just one does not overlap, remove the element for (mask_start=mask_check=Volumes[masked_volume_index]->geometry.masked_by_list.elements;mask_check-mask_startgeometry.masked_by_list.num_elements;mask_check++) { if (on_int_list(*raw_overlap_lists[volume_index],*mask_check) == 0) { remove_element_in_list_by_index(&Volumes[volume_index]->geometry.mask_intersect_list,iterate); break; } } } else { // ANY mode, just one need to overlap in order to keep the element ANY_logic = 0; for (mask_start=mask_check=Volumes[masked_volume_index]->geometry.masked_by_list.elements;mask_check-mask_startgeometry.masked_by_list.num_elements;mask_check++) { if (on_int_list(*raw_overlap_lists[volume_index],*mask_check) == 1) { ANY_logic = 1; break; } } if (ANY_logic == 0) remove_element_in_list_by_index(&Volumes[volume_index]->geometry.mask_intersect_list,iterate); } } if (work_list.num_elements > 0) free(work_list.elements); } //if (verbal) print_1d_int_list(Volumes[volume_index]->geometry.mask_intersect_list,"After 7) mask_intersect_list"); char string_output[128]; MPI_MASTER( if (verbal) sprintf(string_output,"Intersect check list for Volume %d",volume_index); if (verbal) print_1d_int_list(Volumes[volume_index]->geometry.intersect_check_list,string_output); if (verbal) sprintf(string_output,"Mask intersect check list for Volume %d",volume_index); if (verbal) print_1d_int_list(Volumes[volume_index]->geometry.mask_intersect_list,string_output); ) } } void generate_grandparents_lists(struct pointer_to_1d_int_list **grandparents_lists, struct pointer_to_1d_int_list **parents_lists, int number_of_volumes, int verbal) { // Function for generating grandparents lists // Volume iterate has volume p as a grandparent, if volume p has a parent T, who has volume iterate as parent. // Alternertively: // Volume iterate has volume p as a grandparent, if volume p have a child that is volume iterate's parent. MPI_MASTER( if (verbal) printf("\nGenerating grandparents lists ----------------------- \n"); ) struct pointer_to_1d_int_list common; common.num_elements = number_of_volumes; common.elements = malloc(common.num_elements*sizeof(int)); // Maximum needed space. if (!common.elements) { fprintf(stderr,"Failure allocating list in Union function generate_grandparents_lists 1 - Exit!\n"); exit(EXIT_FAILURE); } struct pointer_to_1d_int_list temp_list_local; temp_list_local.num_elements = number_of_volumes; temp_list_local.elements = malloc(number_of_volumes*sizeof(int)); if (!temp_list_local.elements) { fprintf(stderr,"Failure allocating list in Union function generate_grandparents_lists 2 - Exit!\n"); exit(EXIT_FAILURE); } int iterate,reset_int,parent,child,used_elements; for (iterate = 0;iterate < number_of_volumes;iterate++) { // clear temp list used_elements = 0; for (reset_int=0; reset_intnum_elements; parent++) { // parent number p parents_lists[iterate].elements.[p] in the parent_list for iterate. on_both_int_lists(parents_lists[parents_lists[iterate]->elements[parent]], parents_lists[iterate], &common); // returns a pointer_to_1d_list, with all the elements that are in common. for (child = 0;child < common.num_elements;child++) { // Need to make sure the element is not already on the list if (0 == on_int_list(temp_list_local, common.elements[child])) { temp_list_local.elements[used_elements++] = common.elements[child]; } } } allocate_list_from_temp(used_elements, temp_list_local, grandparents_lists[iterate]); char string_output[128]; MPI_MASTER( if (verbal) sprintf(string_output,"Grandparents for Volume %d", iterate); if (verbal) print_1d_int_list(*grandparents_lists[iterate], string_output); ) } free(temp_list_local.elements); free(common.elements); }; void generate_destinations_lists_experimental(struct pointer_to_1d_int_list **true_overlap_lists, struct pointer_to_1d_int_list **true_children_lists, struct pointer_to_1d_int_list **true_parents_lists, struct pointer_to_1d_int_list **true_grandparents_lists, struct Volume_struct **Volumes, int number_of_volumes, int verbal) { // Generates destinations list for for all volumes // Current implementation uses true_parents_lists and true_grandparents_lists that are generated as if no masks were defined MPI_MASTER( if (verbal) printf("\nGenerating destinations lists ----------------------- \n"); ) // Volume 0 has an hardcoded empty destinations list Volumes[0]->geometry.destinations_list.num_elements = 0; struct pointer_to_1d_int_list work_list; int volume_index,iterate,iterate2,found_index,I_index,I_volume; for (volume_index=1;volume_indexnum_elements; work_list.elements = malloc(work_list.num_elements * sizeof(int)); if (!work_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_destinations_lists_experimental 1 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iterateelements[iterate]; //if (verbal) print_1d_int_list(work_list,"After 1)"); // 2) Remove elements from n's intersection list for (iterate=work_list.num_elements-1;iterate>-1;iterate--) { if (on_int_list(Volumes[volume_index]->geometry.intersect_check_list,work_list.elements[iterate])) remove_element_in_list_by_index(&work_list,iterate); } //if (verbal) print_1d_int_list(work_list,"After 2)"); // 3) Remove true children of non-mask elements on n's intersection list for (I_index=0;I_indexgeometry.intersect_check_list.num_elements;I_index++) { I_volume = Volumes[volume_index]->geometry.intersect_check_list.elements[I_index]; if (Volumes[I_volume]->geometry.is_mask_volume == 0) { for (iterate=0;iteratenum_elements;iterate++) { remove_element_in_list_by_value(&work_list,true_children_lists[I_volume]->elements[iterate]); } } } //if (verbal) print_1d_int_list(work_list,"After 3)"); // 4) Remove elements from mask intersection list for (iterate=work_list.num_elements-1;iterate>-1;iterate--) { if (on_int_list(Volumes[volume_index]->geometry.mask_intersect_list,work_list.elements[iterate])) remove_element_in_list_by_index(&work_list,iterate); } //if (verbal) print_1d_int_list(work_list,"After 4)"); // 5) Remove true children of elements on n's mask intersection list for (I_index=0;I_indexgeometry.mask_intersect_list.num_elements;I_index++) { I_volume = Volumes[volume_index]->geometry.mask_intersect_list.elements[I_index]; if (Volumes[I_volume]->geometry.is_mask_volume == 0) { for (iterate=0;iteratenum_elements;iterate++) { remove_element_in_list_by_value(&work_list,true_children_lists[I_volume]->elements[iterate]); } } } //if (verbal) print_1d_int_list(work_list,"After 5)"); // 6) Remove true children of n for (iterate=0;iteratenum_elements;iterate++) remove_element_in_list_by_value(&work_list,true_children_lists[volume_index]->elements[iterate]); //if (verbal) print_1d_int_list(work_list,"After 6)"); // 7) Remove true grandparents of n for (iterate=0;iteratenum_elements;iterate++) remove_element_in_list_by_value(&work_list,true_grandparents_lists[volume_index]->elements[iterate]); //if (verbal) print_1d_int_list(work_list,"After 7)"); // 8) Remove mask volumes for (iterate=work_list.num_elements-1;iterate>-1;iterate--) { if (Volumes[work_list.elements[iterate]]->geometry.is_mask_volume == 1) remove_element_in_list_by_index(&work_list,iterate); } //if (verbal) print_1d_int_list(work_list,"After 8)"); // 9) Remove true parents of n on the list that has other true parents of n on the list with higher priority for (iterate=work_list.num_elements-1;iterate>-1;iterate--) { if (on_int_list(*true_parents_lists[volume_index],work_list.elements[iterate])){ // work_list.elements[iterate] is the volume index of a volume that is a true parent of n for (iterate2=0;iterate2geometry.priority_value < Volumes[work_list.elements[iterate2]]->geometry.priority_value) { //printf("Removing element number %d (V%d) because element number %d (V%d) had higher priority \n",iterate,work_list.elements[iterate],iterate2,work_list.elements[iterate2]); remove_element_in_list_by_index(&work_list,iterate); break; // Missing break inserted on 14/9/2016 } } } } } //if (verbal) print_1d_int_list(work_list,"After 9)"); // 10) The remaining list is the destinations_list Volumes[volume_index]->geometry.destinations_list.num_elements = work_list.num_elements; Volumes[volume_index]->geometry.destinations_list.elements = malloc(Volumes[volume_index]->geometry.destinations_list.num_elements*sizeof(int)); if (!Volumes[volume_index]->geometry.destinations_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_destinations_lists_experimental 2 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iterategeometry.destinations_list.elements[iterate] = work_list.elements[iterate]; // Clean up after work_list so the next can be allocated free(work_list.elements); char string_output[128]; MPI_MASTER( if (verbal) sprintf(string_output,"Destinations list for Volume %d",volume_index); if (verbal) print_1d_int_list(Volumes[volume_index]->geometry.destinations_list,string_output); ) } }; void generate_destinations_list(int N_volume,struct Volume_struct **Volumes,struct pointer_to_1d_int_list original_overlap_list,struct pointer_to_1d_int_list *parent_list, struct pointer_to_1d_int_list *grandparent_list) { // This function generates the destinations_list for a single volume index, N_volume // The destination list describes which volumes a ray can enter when leaving N_volume // Each of the 6 steps for the algorithm is commented individually, and debug print statements are available // Mask update: Mask volumes are to be removed from all destinations_list as they can not be the current volume // It is not that simple, as some volume will then get empty destination lists. Need to revise this algorithm. // 1) Start with the overlap list of volume N // 2) remove all Volumes from the overlap list of N, which is also on the intersect_check_list // 3) remove the children of volumes removed in step 2) // 4) remove the children of N // 5) remove the grandparents of N // 6) remove volumes with lower priority than parents of N still on the list // 7) The remaing list is the destinations list // The destination list system should run without masks altogether, meaning parent and grandparent lists should not use them, // and all masks should be removed in step 2 // 1) Start with the overlap list of volume N // 2) remove all masks on the list // 3) remove all Volumes from the overlap list of N, which is also on the intersect_check_list // 4) remove the children of volumes removed in step 2) (if the removed volume was not a mask ) // 5) remove the children of N // 6) remove the grandparents of N // 7) remove volumes with lower priority than parents of N still on the list // 8) The remaing list is the destinations list // 1) Start with the overlap list of volume N struct pointer_to_1d_int_list overlap_list; overlap_list.num_elements = original_overlap_list.num_elements; overlap_list.elements = malloc(overlap_list.num_elements*sizeof(int)); if (!overlap_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_destinations_lists 1 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iterate -1;iterate--) { if (Volumes[overlap_list.elements[iterate]]->geometry.is_mask_volume == 1) { remove_element_in_list_by_index(&overlap_list,iterate); } } // 3) remove all Volumes from the overlap list of N, which is also on the intersect_check_list struct pointer_to_1d_int_list removed_under_2; removed_under_2.num_elements = 0; int to_check; removed_under_2.elements = malloc( Volumes[N_volume]->geometry.intersect_check_list.num_elements * sizeof(int)); if (!removed_under_2.elements) { fprintf(stderr,"Failure allocating list in Union function generate_destinations_lists 2 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iterate < Volumes[N_volume]->geometry.intersect_check_list.num_elements;iterate++) { to_check = Volumes[N_volume]->geometry.intersect_check_list.elements[iterate]; if (on_int_list(overlap_list,to_check)) { removed_under_2.elements[removed_under_2.num_elements++] = to_check; remove_element_in_list_by_value(&overlap_list,to_check); } } // sprintf(string_output,"Destinations list for Volume %d step 2",N_volume); // print_1d_int_list(overlap_list,string_output); // 4) remove the children of volumes removed in step 2) int children; for (iterate=0;iterategeometry.children.num_elements;children++) { remove_element_in_list_by_value(&overlap_list,Volumes[removed_under_2.elements[iterate]]->geometry.children.elements[children]); } } // sprintf(string_output,"Destinations list for Volume %d step 3",N_volume); // print_1d_int_list(overlap_list,string_output); // 5) remove the children of N for (children = 0;children < Volumes[N_volume]->geometry.children.num_elements;children++) { remove_element_in_list_by_value(&overlap_list,Volumes[N_volume]->geometry.children.elements[children]); } // sprintf(string_output,"Destinations list for Volume %d step 4",N_volume); // print_1d_int_list(overlap_list,string_output); // 6) remove the grandparents of N int grandparent; for (grandparent = 0;grandparent < grandparent_list->num_elements;grandparent++) { remove_element_in_list_by_value(&overlap_list,grandparent_list->elements[grandparent]); } // sprintf(string_output,"Destinations list for Volume %d step 5",N_volume); // print_1d_int_list(overlap_list,string_output); // 7) remove volumes with lower priority than parents of N still on the list struct pointer_to_1d_int_list logic_list; logic_list.num_elements = overlap_list.num_elements; logic_list.elements=NULL; if (logic_list.num_elements>0) { logic_list.elements = malloc(logic_list.num_elements*sizeof(int)); } if (!logic_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_destinations_lists 3 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iteratenum_elements;parent++) { if (on_int_list(overlap_list,parent_list->elements[parent])) { // Found a parent to N on the list, now check all other elements on the list for (iterate=0;iterateelements[parent] != overlap_list.elements[iterate]) { // if the element iterate have lower priority than the parent, remove it from the list if (Volumes[overlap_list.elements[iterate]]->geometry.priority_value < Volumes[parent_list->elements[parent]]->geometry.priority_value) logic_list.elements[iterate] = 0; } } } } // 8) The remaing list is the destinations list Volumes[N_volume]->geometry.destinations_list.num_elements = sum_int_list(logic_list); Volumes[N_volume]->geometry.destinations_list.elements = malloc(Volumes[N_volume]->geometry.destinations_list.num_elements * sizeof(int)); if (!Volumes[N_volume]->geometry.destinations_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_destinations_lists 4 - Exit!\n"); exit(EXIT_FAILURE); } int overlap_index,used_elements=0; for (overlap_index=0;overlap_index < overlap_list.num_elements;overlap_index++) if (logic_list.elements[overlap_index] == 1) Volumes[N_volume]->geometry.destinations_list.elements[used_elements++] = overlap_list.elements[overlap_index]; if (overlap_list.num_elements>0) free(overlap_list.elements); if (logic_list.num_elements>0) free(logic_list.elements); // Clean up memory free(removed_under_2.elements); }; void generate_destinations_lists(struct pointer_to_1d_int_list **grandparents_lists, struct pointer_to_1d_int_list **parents_lists, struct pointer_to_1d_int_list **overlap_lists,struct Volume_struct **Volumes, int number_of_volumes, int verbal) { // Because of the complexity of the algortithm for generating the destinations list, the function is made for a single volume at the time to keep the notation simpler // This funtion runs the destinations list function for each volume MPI_MASTER( if (verbal) printf("\nGenerating destinations lists ----------------------- \n"); ) int volume_index; for (volume_index = 0;volume_index < number_of_volumes;volume_index++) { generate_destinations_list(volume_index,Volumes,*overlap_lists[volume_index],parents_lists[volume_index],grandparents_lists[volume_index]); char string_output[128]; if (verbal) sprintf(string_output,"Destinations list for Volume %d",volume_index); MPI_MASTER( if (verbal) print_1d_int_list(Volumes[volume_index]->geometry.destinations_list,string_output); ) } }; void generate_reduced_destinations_lists(struct pointer_to_1d_int_list **parents_lists, struct Volume_struct **Volumes,int number_of_volumes,int verbal) { // The reduced destination list is the destination list of a volume, where each element that has a parent on the same destination list is removed // This list is to be fed to the which_volume function, as this funtion will automatically search through the direct children in a tree like manner // The optimization reduces the number of calculations of within functions in nested geometries. MPI_MASTER( if (verbal) printf("\nGenerating reduced destination lists ----------------------- \n"); ) struct pointer_to_1d_int_list logic_list; int volume_index,checked_dest_index,checked_dest_volume,rest_dest_index,rest_dest_volume,dest_index,iterate; for (volume_index = 0;volume_index < number_of_volumes;volume_index++) { //printf("Generating reduced destinations lists for volume %d\n",volume_index); logic_list.num_elements = Volumes[volume_index]->geometry.destinations_list.num_elements; logic_list.elements = malloc( (int) logic_list.num_elements * sizeof(int)); if (!logic_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_reduced_destinations_lists 1 - Exit!\n"); exit(EXIT_FAILURE); } //printf("Sucsessfully allocated space for %d integers in logic list %d\n",logic_list.num_elements,volume_index); for (iterate=0;iterategeometry.destinations_list.num_elements;checked_dest_index++) { checked_dest_volume = Volumes[volume_index]->geometry.destinations_list.elements[checked_dest_index]; for (rest_dest_index=0;rest_dest_indexgeometry.destinations_list.num_elements;rest_dest_index++) { rest_dest_volume = Volumes[volume_index]->geometry.destinations_list.elements[rest_dest_index]; // As every volume has 0 as a parent, these are ignored. It would work to include this, but would add an extra trivial step to within_which_volume if (rest_dest_volume != 0) { if (on_int_list(*parents_lists[checked_dest_volume],rest_dest_volume) == 1) { // In this case, do not include element checked_dest_index on the reduced destinations list // ADD mask check if (Volumes[rest_dest_volume]->geometry.is_masked_volume == 0) { logic_list.elements[checked_dest_index] = 0; } } } } } Volumes[volume_index]->geometry.reduced_destinations_list.num_elements = sum_int_list(logic_list); Volumes[volume_index]->geometry.reduced_destinations_list.elements = malloc((int)Volumes[volume_index]->geometry.reduced_destinations_list.num_elements * sizeof(int)); if (!Volumes[volume_index]->geometry.reduced_destinations_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_reduced_destinations_lists 2 - Exit!\n"); exit(EXIT_FAILURE); } iterate = 0; for (dest_index = 0;dest_index < Volumes[volume_index]->geometry.destinations_list.num_elements;dest_index++) { if (logic_list.elements[dest_index] == 1) Volumes[volume_index]->geometry.reduced_destinations_list.elements[iterate++] = Volumes[volume_index]->geometry.destinations_list.elements[dest_index]; } free(logic_list.elements); // Testing an optimization remove_element_in_list_by_value(&Volumes[volume_index]->geometry.reduced_destinations_list,0); char string_output[128]; MPI_MASTER( if (verbal) sprintf(string_output,"Reduced destinations list for Volume %d",volume_index); if (verbal) print_1d_int_list(Volumes[volume_index]->geometry.reduced_destinations_list,string_output); ) } }; void generate_direct_children_lists(struct pointer_to_1d_int_list **parents_lists, struct Volume_struct **Volumes,int number_of_volumes,int verbal) { MPI_MASTER( if (verbal) printf("\nGenerating direct children lists ----------------------- \n"); ) // A direct children of volume n is a volume that is a child of n, but no other child of n is its parent // Mask update: Need to check that this step does not bug out when the mask system interferes with child/parent systems struct pointer_to_1d_int_list logic_list; int volume_index,child,parent,iterate; for (volume_index = 0;volume_index < number_of_volumes;volume_index++) { // Temp elements is used, and its actual number of elements is edited even though the memory allocated is not changed. This is so that the list functions handles it correctly. // The free function will free all the allocated memory regardless of the value of the .num_elements structure field, it is just there for convinience. logic_list.num_elements = Volumes[volume_index]->geometry.children.num_elements; logic_list.elements = malloc(logic_list.num_elements * sizeof(int)); if (!logic_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_direct_children_lists 1 - Exit!\n"); exit(EXIT_FAILURE); } for (iterate=0;iterategeometry.children.num_elements;child++) { for (parent=0;parentgeometry.children.elements[child]]->num_elements;parent++) { if (on_int_list(Volumes[volume_index]->geometry.children,parents_lists[Volumes[volume_index]->geometry.children.elements[child]]->elements[parent])) // If such a parent is found, remove that child from the list logic_list.elements[child] = 0; } } Volumes[volume_index]->geometry.direct_children.num_elements = sum_int_list(logic_list); Volumes[volume_index]->geometry.direct_children.elements = malloc(Volumes[volume_index]->geometry.direct_children.num_elements*sizeof(int)); if (!Volumes[volume_index]->geometry.direct_children.elements) { fprintf(stderr,"Failure allocating list in Union function generate_direct_children_lists 2 - Exit!\n"); exit(EXIT_FAILURE); } iterate = 0; for (child = 0;child < Volumes[volume_index]->geometry.children.num_elements;child++) { if (logic_list.elements[child]) Volumes[volume_index]->geometry.direct_children.elements[iterate++] = Volumes[volume_index]->geometry.children.elements[child]; } // Be careful with names in both main and a function, as they are automatically declared as external variables, which would then also free the main. free(logic_list.elements); char string_output[128]; MPI_MASTER( if (verbal) sprintf(string_output,"Children list for Volume %d",volume_index); if (verbal) print_1d_int_list(Volumes[volume_index]->geometry.children,string_output); if (verbal) sprintf(string_output,"Direct_children list for Volume %d",volume_index); if (verbal) print_1d_int_list(Volumes[volume_index]->geometry.direct_children,string_output); ) } }; void generate_starting_logic_list(struct starting_lists_struct *starting_lists, struct Volume_struct **Volumes, int number_of_volumes, int verbal) { // Function for generating logic list of volumes the ray can start in without an error. // Start with a list of all vacuum volumes // Remove all volumes that are children of non-vacuum volumes // It is still possible to have a volume on this list that is surrounded by non-vacuum volumes, but it is hard to detect these situations, // meaning that it is ultimately partly the users responsibility to not send neutrons directly into materials. int volume_index,*start,*check; struct pointer_to_1d_int_list temp_list_local; temp_list_local.num_elements = number_of_volumes; temp_list_local.elements = malloc(number_of_volumes*sizeof(int)); if (!temp_list_local.elements) { fprintf(stderr,"Failure allocating list in Union function generate_starting_logic_list - Exit!\n"); exit(EXIT_FAILURE); } temp_list_local.elements[0] = 1; // Volume 0 is a vacuum volume. for (volume_index = 1;volume_index < number_of_volumes;volume_index++) { if (Volumes[volume_index]->p_physics->is_vacuum == 1) temp_list_local.elements[volume_index] = 1; else temp_list_local.elements[volume_index] = 0; } // temp_list_local is now a logic list of all vacuum volumes for (volume_index = 1;volume_index < number_of_volumes;volume_index++) { // All volumes ... if (temp_list_local.elements[volume_index] == 0) { // ... that are not vacuum ... for (start = check = Volumes[volume_index]->geometry.children.elements;check - start < Volumes[volume_index]->geometry.children.num_elements;check++) { // ... have all their children ... temp_list_local.elements[*check] = 0; // .. removed from the allowed_start_logic_list } } } allocate_list_from_temp(number_of_volumes,temp_list_local,&starting_lists->allowed_starting_volume_logic_list); free(temp_list_local.elements); //if (verbal==1) printf("sucessfully freed temp_list_local.elements, generate starting lists done\n"); char string_output[128]; MPI_MASTER( if (verbal) sprintf(string_output,"Allowed starting volume logic list"); if (verbal) print_1d_int_list(starting_lists->allowed_starting_volume_logic_list,string_output); ) }; void generate_reduced_starting_destinations_list(struct starting_lists_struct *starting_lists, struct pointer_to_1d_int_list **parents_lists, struct Volume_struct **Volumes,int number_of_volumes,int verbal) { // The starting_destinations_list is trivial, as it contains all volumes that are not masks. struct pointer_to_1d_int_list logic_list; //printf("Generating reduced destinations lists for volume %d\n",volume_index); logic_list.num_elements = number_of_volumes; logic_list.elements = malloc( (int) logic_list.num_elements * sizeof(int)); if (!logic_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_reduced_starting_destinations_list 1 - Exit!\n"); exit(EXIT_FAILURE); } int iterate; for (iterate=0;iterategeometry.is_mask_volume == 0) logic_list.elements[iterate] = 1; starting_lists->starting_destinations_list.num_elements = sum_int_list(logic_list); starting_lists->starting_destinations_list.elements = malloc(starting_lists->starting_destinations_list.num_elements*sizeof(int)); if (!starting_lists->starting_destinations_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_reduced_starting_destinations_list 2 - Exit!\n"); exit(EXIT_FAILURE); } int used_elements=0; for (iterate=1;iteratestarting_destinations_list.elements[used_elements++] = iterate; MPI_MASTER( if (verbal) printf("\nGenerating start destinations list ------------------------------ \n"); if (verbal) print_1d_int_list(starting_lists->starting_destinations_list,"Starting destinations list"); ) // The reduced starting destination list is used when a ray enters the component in the search for which volume it starts in. // It facilitates the same optimization as the regular destination list. // The start logic list is also generated, as it is very simple and does not need a seperate function // Mask update: Need to remove mask volumes from the reduced starting destination list MPI_MASTER( if (verbal) printf("\nGenerating reduced start destination list ----------------------- \n"); ) int checked_dest_index,checked_dest_volume,rest_dest_index,rest_dest_volume,dest_index; logic_list.num_elements = starting_lists->starting_destinations_list.num_elements; free(logic_list.elements); logic_list.elements = malloc( (int) logic_list.num_elements * sizeof(int)); for (iterate=0;iteratestarting_destinations_list.num_elements;checked_dest_index++) { checked_dest_volume = starting_lists->starting_destinations_list.elements[checked_dest_index]; for (rest_dest_index=0;rest_dest_indexstarting_destinations_list.num_elements;rest_dest_index++) { rest_dest_volume = starting_lists->starting_destinations_list.elements[rest_dest_index]; // As every volume has 0 as a parent, these are ignored. It would work to include this, but would add an extra trivial step to within_which_volume if (rest_dest_volume != 0) { if (on_int_list(*parents_lists[checked_dest_volume],rest_dest_volume) == 1) { // In this case, do not include element checked_dest_index on the reduced destinations list logic_list.elements[checked_dest_index] = 0; } } } } starting_lists->reduced_start_list.num_elements = sum_int_list(logic_list); starting_lists->reduced_start_list.elements = malloc((int)starting_lists->reduced_start_list.num_elements * sizeof(int)); if (!starting_lists->reduced_start_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_reduced_starting_destinations_list 3 - Exit!\n"); exit(EXIT_FAILURE); } iterate = 0; for (dest_index = 0;dest_index < starting_lists->starting_destinations_list.num_elements;dest_index++) { if (logic_list.elements[dest_index] == 1) starting_lists->reduced_start_list.elements[iterate++] = starting_lists->starting_destinations_list.elements[dest_index]; } free(logic_list.elements); MPI_MASTER( if (verbal) print_1d_int_list(starting_lists->reduced_start_list,"Reduced start destinations list"); ) // Making the start_logic_list. starting_lists->start_logic_list.num_elements = number_of_volumes; starting_lists->start_logic_list.elements = malloc ( starting_lists->start_logic_list.num_elements * sizeof(int)); if (!starting_lists->start_logic_list.elements) { fprintf(stderr,"Failure allocating list in Union function generate_reduced_starting_destinations_list 4 - Exit!\n"); exit(EXIT_FAILURE); } starting_lists->start_logic_list.elements[0] = 0; for (iterate=1;iteratestart_logic_list.elements[iterate] = 1; // All volumes to be checked for starting volume MPI_MASTER( if (verbal) print_1d_int_list(starting_lists->start_logic_list,"Start logic list"); ) }; void generate_next_volume_list(struct Volume_struct **Volumes, int number_of_volumes, int verbal) { // Generate list of volumes that can be the next volume which the ray enters. It is used for tagging, not the simulation / propagation // Mask update: These lists should be done as if all mask statuses are on, meaning they include all possible next volumes (will include more input to this function) // bug: next volume list is not complete and contains duplicates MPI_MASTER( if (verbal) printf("\nGenerating next volume list ------------------------------------- \n"); ) // Merge destinations list, intersection list and mask_intersection_list int volume_index,iterate,mask_index; struct pointer_to_1d_int_list full_intersection_list; full_intersection_list.num_elements=0; for (volume_index=0;volume_indexgeometry.next_volume_list.num_elements = 0; // Before mask update //merge_lists(&Volumes[volume_index]->geometry.next_volume_list, &Volumes[volume_index]->geometry.destinations_list, &Volumes[volume_index]->geometry.intersect_check_list); merge_lists(&full_intersection_list, &Volumes[volume_index]->geometry.mask_intersect_list, &Volumes[volume_index]->geometry.intersect_check_list); merge_lists(&Volumes[volume_index]->geometry.next_volume_list,&Volumes[volume_index]->geometry.destinations_list,&full_intersection_list); /* // This complication is taken into account by adding the mask_intersect list instead // It is possible that the next volume is still not on this list, as when masks are encountered the next volume can be a volume they mask. // For each on the list, add the volumes masked by that mask (do not iterate over this, as masks can not be masked regardless) for (iterate=Volumes[volume_index]->geometry.next_volume_list.num_elements-1;iterate>-1;iterate--) { if (Volumes[Volumes[volume_index]->geometry.next_volume_list.elements[iterate]]->geometry.is_mask_volume == 1) { for (mask_index=0;mask_indexgeometry.next_volume_list.elements[iterate]]->geometry.mask_list.num_elements;mask_index++) { add_element_to_int_list(&Volumes[volume_index]->geometry.next_volume_list,Volumes[Volumes[volume_index]->geometry.next_volume_list.elements[iterate]]->geometry.mask_list.elements[mask_index]); } } } */ // Remove mask volumes from the next volume list, as they never occur as current_volume, and thus just create dead branches that takes up memory for (iterate=Volumes[volume_index]->geometry.next_volume_list.num_elements-1;iterate>-1;iterate--) if (Volumes[Volumes[volume_index]->geometry.next_volume_list.elements[iterate]]->geometry.is_mask_volume == 1) remove_element_in_list_by_index(&Volumes[volume_index]->geometry.next_volume_list,iterate); if (full_intersection_list.num_elements>0) free(full_intersection_list.elements); full_intersection_list.num_elements=0; char string_output[128]; MPI_MASTER( if (verbal) sprintf(string_output,"Next volume list %d",volume_index); if (verbal) print_1d_int_list(Volumes[volume_index]->geometry.next_volume_list,string_output); ) } }; void generate_lists(struct Volume_struct **Volumes, struct starting_lists_struct *starting_lists, int number_of_volumes, int verbal) { // Function to control the generation of lists // Some lists are only needed temporary, and are thus declared here to keep them out of the main scope // Others are stored in the volume structs as they are needed in the trace algorithm (or tagging) struct pointer_to_1d_int_list **true_children_lists; true_children_lists = malloc(number_of_volumes*sizeof(struct pointer_to_1d_int_list*)); if (!true_children_lists) { fprintf(stderr,"Failure allocating list in Union function generate_lists 1 - Exit!\n"); exit(EXIT_FAILURE); } // generate_children_lists both generate the normal children list for each volume, but also the true children list needed locally. generate_children_lists(Volumes, true_children_lists, number_of_volumes,verbal); struct pointer_to_1d_int_list **true_overlap_lists; true_overlap_lists = malloc(number_of_volumes*sizeof(struct pointer_to_1d_int_list*)); if (!true_overlap_lists) { fprintf(stderr,"Failure allocating list in Union function generate_lists 2 - Exit!\n"); exit(EXIT_FAILURE); } struct pointer_to_1d_int_list **raw_overlap_lists; raw_overlap_lists = malloc(number_of_volumes*sizeof(struct pointer_to_1d_int_list*)); if (!raw_overlap_lists) { fprintf(stderr,"Failure allocating list in Union function generate_lists 3 - Exit!\n"); exit(EXIT_FAILURE); } generate_overlap_lists(true_overlap_lists, raw_overlap_lists, Volumes,number_of_volumes,verbal); //generate_intersect_check_lists(true_overlap_lists, Volumes, number_of_volumes, verbal); struct pointer_to_1d_int_list **parents_lists; parents_lists = malloc(number_of_volumes*sizeof(struct pointer_to_1d_int_list*)); if (!parents_lists) { fprintf(stderr,"Failure allocating list in Union function generate_lists 4 - Exit!\n"); exit(EXIT_FAILURE); } generate_parents_lists(parents_lists,Volumes,number_of_volumes,verbal,1); // The last 1 means masks are taken into account // Generate version of parent list as it would be without masks struct pointer_to_1d_int_list **parents_lists_no_masks; parents_lists_no_masks = malloc(number_of_volumes*sizeof(struct pointer_to_1d_int_list*)); if (!parents_lists_no_masks) { fprintf(stderr,"Failure allocating list in Union function generate_lists 5 - Exit!\n"); exit(EXIT_FAILURE); } generate_parents_lists(parents_lists_no_masks,Volumes,number_of_volumes,verbal,0); // The last 0 means masks are NOT taken into account // Generate version of parent list using true_children instead struct pointer_to_1d_int_list **true_parents_lists; true_parents_lists = malloc(number_of_volumes*sizeof(struct pointer_to_1d_int_list*)); if (!true_parents_lists) { fprintf(stderr,"Failure allocating list in Union function generate_lists 6 - Exit!\n"); exit(EXIT_FAILURE); } generate_true_parents_lists(true_parents_lists, true_children_lists, Volumes, number_of_volumes, verbal, 1); // Generate version of parent list no masks using true_children instead struct pointer_to_1d_int_list **true_parents_lists_no_masks; true_parents_lists_no_masks = malloc(number_of_volumes*sizeof(struct pointer_to_1d_int_list*)); if (!true_parents_lists_no_masks) { fprintf(stderr,"Failure allocating list in Union function generate_lists 7 - Exit!\n"); exit(EXIT_FAILURE); } generate_true_parents_lists(true_parents_lists_no_masks, true_children_lists, Volumes, number_of_volumes, verbal, 0); // New version of generate intersect lists generate_intersect_check_lists_experimental(true_overlap_lists, raw_overlap_lists, parents_lists, true_parents_lists, Volumes, number_of_volumes, verbal); struct pointer_to_1d_int_list **grandparents_lists; grandparents_lists = malloc(number_of_volumes*sizeof(struct pointer_to_1d_int_list*)); if (!grandparents_lists) { fprintf(stderr,"Failure allocating list in Union function generate_lists 8 - Exit!\n"); exit(EXIT_FAILURE); } generate_grandparents_lists(grandparents_lists,parents_lists,number_of_volumes,verbal); // Generate version of grandparents list as it would have been if no masks were defined struct pointer_to_1d_int_list **grandparents_lists_no_masks; grandparents_lists_no_masks = malloc(number_of_volumes*sizeof(struct pointer_to_1d_int_list*)); if (!grandparents_lists_no_masks) { fprintf(stderr,"Failure allocating list in Union function generate_lists 9 - Exit!\n"); exit(EXIT_FAILURE); } generate_grandparents_lists(grandparents_lists_no_masks,parents_lists_no_masks,number_of_volumes,verbal); // Generate true_grandparents_lists struct pointer_to_1d_int_list **true_grandparents_lists; true_grandparents_lists = malloc(number_of_volumes*sizeof(struct pointer_to_1d_int_list*)); if (!true_grandparents_lists) { fprintf(stderr,"Failure allocating list in Union function generate_lists 10 - Exit!\n"); exit(EXIT_FAILURE); } generate_grandparents_lists(true_grandparents_lists,true_parents_lists,number_of_volumes,verbal); struct pointer_to_1d_int_list **true_grandparents_lists_no_masks; true_grandparents_lists_no_masks = malloc(number_of_volumes*sizeof(struct pointer_to_1d_int_list*)); if (!true_grandparents_lists_no_masks) { fprintf(stderr,"Failure allocating list in Union function generate_lists 11 - Exit!\n"); exit(EXIT_FAILURE); } generate_grandparents_lists(true_grandparents_lists_no_masks,true_parents_lists_no_masks,number_of_volumes,verbal); // The destinations lists are generated without taking masks into account (they are removed from the overlap list in an early step) //generate_destinations_lists(grandparents_lists_no_masks,parents_lists_no_masks,true_overlap_lists,Volumes,number_of_volumes,verbal); generate_destinations_lists_experimental(true_overlap_lists, true_children_lists, true_parents_lists_no_masks, true_grandparents_lists_no_masks, Volumes, number_of_volumes, verbal); // Obsolete, found a way around them in within_which_volume, but need to test the performance difference // generate_destinations_logic_lists(Volumes,number_of_volumes,verbal); generate_reduced_destinations_lists(parents_lists,Volumes,number_of_volumes,verbal); generate_direct_children_lists(parents_lists,Volumes,number_of_volumes,verbal); //generate_starting_list(starting_lists,Volumes,number_of_volumes,verbal); generate_starting_logic_list(starting_lists,Volumes,number_of_volumes,verbal); generate_reduced_starting_destinations_list(starting_lists,parents_lists,Volumes,number_of_volumes,verbal); // This list is stored with the volumes for convinience, but is only used for tagging generate_next_volume_list(Volumes,number_of_volumes,verbal); // Garbage collection for temporary dynamically allocated lists. (Permanent lists freed from FINALLY) int iterate; for (iterate=0;iteratenum_elements = %d \n",true_overlap_lists[iterate]->num_elements); if (true_overlap_lists[iterate]->num_elements > 0) free(true_overlap_lists[iterate]->elements); free(true_overlap_lists[iterate]); //printf("raw_overlap_lists[iterate]->num_elements = %d \n",raw_overlap_lists[iterate]->num_elements); if (raw_overlap_lists[iterate]->num_elements > 0) free(raw_overlap_lists[iterate]->elements); free(raw_overlap_lists[iterate]); //printf("parents_lists[iterate]->num_elements = %d \n",parents_lists[iterate]->num_elements); if (parents_lists[iterate]->num_elements > 0) free(parents_lists[iterate]->elements); free(parents_lists[iterate]); //printf("parents_lists_no_masks[iterate]->num_elements = %d \n",parents_lists_no_masks[iterate]->num_elements); if (parents_lists_no_masks[iterate]->num_elements > 0) free(parents_lists_no_masks[iterate]->elements); free(parents_lists_no_masks[iterate]); //printf("true_parents_lists[iterate]->num_elements = %d \n",true_parents_lists[iterate]->num_elements); if (true_parents_lists[iterate]->num_elements > 0) free(true_parents_lists[iterate]->elements); free(true_parents_lists[iterate]); //printf("true_parents_lists_no_masks[iterate]->num_elements = %d \n",true_parents_lists_no_masks[iterate]->num_elements); if (true_parents_lists_no_masks[iterate]->num_elements > 0) free(true_parents_lists_no_masks[iterate]->elements); free(true_parents_lists_no_masks[iterate]); //printf("grandparents_lists[iterate]->num_elements = %d \n",grandparents_lists[iterate]->num_elements); if (grandparents_lists[iterate]->num_elements > 0) free(grandparents_lists[iterate]->elements); free(grandparents_lists[iterate]); //printf("true_grandparents_lists[iterate]->num_elements = %d \n",true_grandparents_lists[iterate]->num_elements); if (true_grandparents_lists[iterate]->num_elements > 0) free(true_grandparents_lists[iterate]->elements); free(true_grandparents_lists[iterate]); //printf("grandparents_lists_no_masks[iterate]->num_elements = %d \n",grandparents_lists_no_masks[iterate]->num_elements); if (grandparents_lists_no_masks[iterate]->num_elements > 0) free(grandparents_lists_no_masks[iterate]->elements); free(grandparents_lists_no_masks[iterate]); //printf("true_grandparents_lists_no_masks[iterate]->num_elements = %d \n",true_grandparents_lists_no_masks[iterate]->num_elements); if (true_grandparents_lists_no_masks[iterate]->num_elements > 0) free(true_grandparents_lists_no_masks[iterate]->elements); free(true_grandparents_lists_no_masks[iterate]); //printf("true_children_lists[iterate]->num_elements = %d \n",true_children_lists[iterate]->num_elements); if (true_children_lists[iterate]->num_elements > 0) free(true_children_lists[iterate]->elements); free(true_children_lists[iterate]); } //printf("generate lists volume specific free completed\n"); free(true_overlap_lists);free(raw_overlap_lists);free(parents_lists);free(true_parents_lists);free(true_parents_lists_no_masks); free(parents_lists_no_masks);free(true_grandparents_lists);free(grandparents_lists);free(grandparents_lists_no_masks);free(true_grandparents_lists_no_masks); free(true_children_lists); //printf("generate lists free completed\n"); }; // ------------- Focusing functions -------------------------------------------------------- // The focusing_data structure is set up by the geometry component, and a pointer to the appropriate // focusing function is added to the Volume structure (for this reason the input of all the functions // need to be identical, at least in terms of types). In this way there are no if statements to check // which of these to be used in the trace, but the focus_data_struct will carry some redundant // information, as only the appropriate parameters are set: // Angular focus on a rectangle (angular_focus_height / angular_focus_width) // Spatial focus on a rectangle (spatial_focus_height / spatial_focus_width) // Spatial focus on a disk (sptial_focus_radius) // No focus (randvec in 4pi) (all set to zero, will select randvec circle as it is slightly faster // // When adding a new physical process focusing becomes very easy, as one just calls the master focusing // function assosiated with the volume (placed in the geometry struct), using the focus_data_struct // also found in the geometry struct, and the process then supports all the focusing modes. It is even // possible to add new focusing modes in the future by updating just the geometry components, and this // section. // focus_data_struct definitioon shown here, defined at the start of this file //struct focus_data_struct { //Coords Aim; //double angular_focus_width; //double angular_focus_height; //double spatial_focus_width; //double spatial_focus_height; //double spatial_focus_radius; //Rotation absolute_rotation; //// focusing_function creates a vector per selected criteria of focus_data_struct / selected focus function and returns solid angle //void (*focusing_function)(Coords*, double*, struct focus_data_struct*); //// v_out , solid_a, //}; void randvec_target_rect_angular_union(Coords *v_out,double *solid_angle_out, struct focus_data_struct *focus_data) { // Calls the standard McStas randvec_target_rect_angular focusing function, but is with the new data input format. randvec_target_rect_angular(&v_out->x, &v_out->y, &v_out->z, solid_angle_out, focus_data->RayAim.x,focus_data->RayAim.y, focus_data->RayAim.z, focus_data->angular_focus_width, focus_data->angular_focus_height,focus_data->absolute_rotation); //randvec_target_rect_angular(&vx, &vy, &vz, &solid_angle,aim_x, aim_y, aim_z, VarsInc.aw, VarsInc.ah, ROT_A_CURRENT_COMP); }; void randvec_target_rect_union(Coords *v_out,double *solid_angle_out, struct focus_data_struct *focus_data) { // Calls the standard McStas randvec_target_rect focusing function, but is with the new data input format. randvec_target_rect(&v_out->x, &v_out->y, &v_out->z, solid_angle_out, focus_data->RayAim.x,focus_data->RayAim.y, focus_data->RayAim.z, focus_data->spatial_focus_width, focus_data->spatial_focus_height,focus_data->absolute_rotation); // randvec_target_rect(&vx, &vy, &vz, &solid_angle,aim_x, aim_y, aim_z, VarsInc.xw, VarsInc.yh, ROT_A_CURRENT_COMP); }; void randvec_target_circle_union(Coords *v_out,double *solid_angle_out, struct focus_data_struct *focus_data) { // Calls the standard McStas randvec_target_circle focusing function, but is with the new data input format. // debug input into randvec_target_circle //print_position(focus_data->Aim,"Aim vector input for randvec_target_circle"); //printf("Radius input %f\n",focus_data->spatial_focus_radius); randvec_target_circle(&v_out->x, &v_out->y, &v_out->z, solid_angle_out, focus_data->RayAim.x,focus_data->RayAim.y, focus_data->RayAim.z, focus_data->spatial_focus_radius); //randvec_target_circle(&vx, &vy, &vz, &solid_angle, aim_x, aim_y, aim_z, focus_r); }; void focus_initialize(struct geometry_struct *geometry, Coords POS_A_TARGET, Coords POS_A_CURRENT, Rotation ROT_A_CURRENT, int target_index, double target_x, double target_y, double target_z, double angular_focus_width, double angular_focus_height, double spatial_focus_width, double spatial_focus_height, double spatial_focus_radius, char *component_name) { // Initialize focusing system // target_x/y/z needs to be double setting parameters with default value 0 // target_index needs to be int setting parameter with default value 0 // angular_focus_width, angular_focus_height, spatial_focus_width, spatial_focus_height, spatial_focus_radius nneds to be double setting parameters with default value 0 // When those conditions are met, this code will identify which settings have been entered by the user and select the appropriate focusing parameters, which are loaded into the focus_data struct and the geometry struct. // The aim vector in the focus_data struct will be transformed from the local coordinate system of the geometry component to the coordinate system of the master component during the master component initialize // Input sanitation if (angular_focus_width < 0) { printf("\nERROR in Union geometry component named \"%s\", angular focus width focus_aw < 0! \n",component_name); exit(EXIT_FAILURE); } if (angular_focus_height < 0) { printf("\nERROR in Union geometry component named \"%s\", angular focus width focus_ah < 0! \n",component_name); exit(EXIT_FAILURE); } if (spatial_focus_width < 0) { printf("\nERROR in Union geometry component named \"%s\", spatial focus width focus_xw < 0! \n",component_name); exit(EXIT_FAILURE); } if (spatial_focus_height < 0) { printf("\nERROR in Union geometry component named \"%s\", spatial focus height focus_xh < 0! \n",component_name); exit(EXIT_FAILURE); } if (spatial_focus_radius < 0) { printf("\nERROR in Union geometry component named \"%s\", spatial focus radius focus_r < 0! \n",component_name); exit(EXIT_FAILURE); } struct focus_data_struct focus_data; // Initialize focus_data_struct focus_data.Aim = coords_set(0,0,0); focus_data.RayAim = coords_set(0,0,0); focus_data.angular_focus_width = 0; focus_data.angular_focus_height = 0; focus_data.spatial_focus_width = 0; focus_data.spatial_focus_height = 0; focus_data.spatial_focus_radius = 0; rot_copy(focus_data.absolute_rotation,ROT_A_CURRENT); // Built on code from Incoherent.comp by Kim Lefmann and Kristian Nielsen if (target_index != 0 && !target_x && !target_y && !target_z) { Coords ToTarget; //ToTarget = coords_sub(POS_A_COMP_INDEX(INDEX_CURRENT_COMP+target_index),POS_A_CURRENT_COMP); ToTarget = coords_sub(POS_A_TARGET, POS_A_CURRENT); ToTarget = rot_apply(ROT_A_CURRENT, ToTarget); coords_get(ToTarget, &focus_data.Aim.x, &focus_data.Aim.y, &focus_data.Aim.z); } else { focus_data.Aim.x = target_x; focus_data.Aim.y = target_y; focus_data.Aim.z = target_z; } if (!(focus_data.Aim.x || focus_data.Aim.y || focus_data.Aim.z)) { // Somehow set a variable to signify scattering into 4pi // printf("Union %s: The target is not defined. Using scattering into 4pi.\n",NAME_CURRENT_COMP); focus_data.Aim.z=1; // set aim to one so that the randvec output vector has length 1 instead of 0 } int focusing_model_selected = 0; if (angular_focus_width != 0 && angular_focus_height != 0) { focus_data.focusing_function = &randvec_target_rect_angular_union; focus_data.angular_focus_width = DEG2RAD*angular_focus_width; // Convert to radians here focus_data.angular_focus_height = DEG2RAD*angular_focus_height; focusing_model_selected = 1; } if (spatial_focus_width != 0 && spatial_focus_height != 0) { focus_data.focusing_function = &randvec_target_rect_union; focus_data.spatial_focus_width = spatial_focus_width; focus_data.spatial_focus_height = spatial_focus_height; if (focusing_model_selected) { printf("ERROR %s: Select either angular or spatial focusing, not both! Exiting \n",component_name); exit(EXIT_FAILURE); } focusing_model_selected = 1; } if (spatial_focus_radius != 0) { focus_data.focusing_function = &randvec_target_circle_union; focus_data.spatial_focus_radius = spatial_focus_radius; if (focusing_model_selected) { printf("ERROR %s: Select a maximum of one focusing method (spatial rectangle or cicle, or angular rectangle! Exiting \n",component_name); exit(EXIT_FAILURE); } focusing_model_selected = 1; } if (focusing_model_selected == 0) { // Select 4pi focusing focus_data.spatial_focus_radius = 0; focus_data.focusing_function = &randvec_target_circle_union; } // Allocate the isotropic focus_data struct geometry->focus_data_array.num_elements = 0; add_element_to_focus_data_array(&geometry->focus_data_array,focus_data); }; struct abs_event{ double time1; double position1[3]; double time2; double position2[3]; double weight_change; int volume_index; int neutron_id; }; // Functions for recording absorption void initialize_absorption_file() { FILE *fp; fp = fopen("Union_absorption.dat","w"); if(!fp) { fprintf(stderr,"WARNING: Could not write initial output to Union_absorption.dat\n"); } else { fprintf(fp,"r_old x, r_old y, r_old z, old t, r x, r y, r z, new t, weight change, volume index, neutron id \n"); fclose(fp); } } void write_events_to_file(int last_index, struct abs_event *events) { FILE *fp; fp = fopen("Union_absorption.dat","a"); if(!fp) { fprintf(stderr,"WARNING: Could not write logging output to Union_absorption.dat\n"); } else { struct abs_event *this_event; int iterate; for (iterate=0; iterateposition1[0], this_event->position1[1], this_event->position1[2], this_event->time1, this_event->position2[0], this_event->position2[1], this_event->position2[2], this_event->time2, this_event->weight_change, this_event->volume_index, this_event->neutron_id); } fclose(fp); } } void record_abs_to_file(double *r, double t1, double *r_old, double t2, double weight_change, int volume, int neutron_id, int *data_index, struct abs_event *events) { struct abs_event *this_event; this_event = &events[(*data_index)++]; //printf("Recording something! %i\n", *data_index); this_event->position1[0] = r[0]; this_event->position1[1] = r[1]; this_event->position1[2] = r[2]; this_event->time1 = t1; this_event->position2[0] = r_old[0]; this_event->position2[1] = r_old[1]; this_event->position2[2] = r_old[2]; this_event->time2 = t2; this_event->weight_change = weight_change; this_event->volume_index = volume; this_event->neutron_id = neutron_id; if (*data_index == 999) { write_events_to_file(*data_index, events); *data_index = 0; } }; void manual_linking_function_surface(char *input_string, struct pointer_to_global_surface_list *global_surface_list, struct pointer_to_1d_int_list *accepted_surfaces, char *component_name) { char *token; int loop_index; char local_string[256]; strcpy(local_string, input_string); // get the first token token = strtok(local_string,","); // walk through tokens while(token != NULL) { //printf( " %s\n", token ); for (loop_index=0; loop_indexnum_elements; loop_index++) { if (strcmp(token, global_surface_list->elements[loop_index].name) == 0) { add_element_to_int_list(accepted_surfaces, loop_index); break; } if (loop_index == global_surface_list->num_elements - 1) { // All possible surface names have been looked through, and the break was not executed. // Alert the user to this problem by showing the surface name that was not found and the currently available surface definitions printf("\n"); printf("ERROR: The surface string \"%s\" in Union geometry \"%s\" had an entry that did not match a specified surface definition. \n", input_string, component_name); printf(" The unrecoignized surface name was: \"%s\" \n",token); printf(" The surfaces available at this point (need to be defined before the geometry): \n"); for (loop_index=0; loop_indexnum_elements; loop_index++) printf(" %s\n",global_surface_list->elements[loop_index].name); exit(EXIT_FAILURE); } } // Updates the token token = strtok(NULL,","); } } void fill_surface_stack(char *input_string, struct pointer_to_global_surface_list *global_surface_list, char *component_name, struct surface_stack_struct *surface_stack) { // Takes empty surface_stack struct, allocates the memory and fills it with appropriate pointers to the surfaces requested in input_string if (input_string && strlen(input_string) && strcmp(input_string, "NULL") && strcmp(input_string, "0") && strcmp(input_string, "None")) { struct pointer_to_1d_int_list accepted_surfaces; accepted_surfaces.num_elements = 0; manual_linking_function_surface(input_string, global_surface_list, &accepted_surfaces, component_name); surface_stack->number_of_surfaces = accepted_surfaces.num_elements; surface_stack->p_surface_array = malloc(surface_stack->number_of_surfaces*sizeof(struct surface_process_struct*)); if (!surface_stack->p_surface_array) { fprintf(stderr,"Failure allocating list in Union function fill_surface_stack - Exit!\n"); exit(EXIT_FAILURE); } int loop_index; for (loop_index=0; loop_indexp_surface_array[loop_index]=global_surface_list->elements[accepted_surfaces.elements[loop_index]].p_surface_process; } } else { surface_stack->number_of_surfaces = 0; } } void overwrite_if_empty(char *input_string, char *overwrite) { if (!(input_string && strlen(input_string) && strcmp(input_string, "NULL") && strcmp(input_string, "0"))) { strcpy(input_string, overwrite); } } #endif /* Shared user declarations for all components types 'Incoherent_process'. */ #ifndef Union #error "The Union_init component must be included before this Incoherent_process component" #endif struct Incoherent_physics_storage_struct { // Variables that needs to be transfered between any of the following places: // The initialize in this component // The function for calculating my // The function for calculating scattering double my_scattering; double QE_sampling_frequency; double lorentzian_width; }; // Function for calculating my in Incoherent case int Incoherent_physics_my (double* my, double* k_initial, union data_transfer_union data_transfer, struct focus_data_struct* focus_data, _class_particle* _particle) { *my = data_transfer.pointer_to_a_Incoherent_physics_storage_struct->my_scattering; return 1; }; // Function for basic incoherent scattering event int Incoherent_physics_scattering (double* k_final, double* k_initial, double* weight, union data_transfer_union data_transfer, struct focus_data_struct* focus_data, _class_particle* _particle) { // New version of incoherent scattering double k_length = sqrt (k_initial[0] * k_initial[0] + k_initial[1] * k_initial[1] + k_initial[2] * k_initial[2]); Coords k_out; // Here is the focusing system in action, get a vector double solid_angle; focus_data->focusing_function (&k_out, &solid_angle, focus_data); NORM (k_out.x, k_out.y, k_out.z); *weight *= solid_angle * 0.25 / PI; double v_i, v_f, E_i, dE, E_f; if (rand01 () < data_transfer.pointer_to_a_Incoherent_physics_storage_struct->QE_sampling_frequency) { v_i = k_length * K2V; E_i = VS2E * v_i * v_i; dE = data_transfer.pointer_to_a_Incoherent_physics_storage_struct->lorentzian_width * tan (PI / 2 * randpm1 ()); E_f = E_i + dE; if (E_f <= 0) return 0; v_f = SE2V * sqrt (E_f); k_length = v_f * V2K; } k_final[0] = k_out.x * k_length; k_final[1] = k_out.y * k_length; k_final[2] = k_out.z * k_length; return 1; }; #ifndef PROCESS_DETECTOR #define PROCESS_DETECTOR dummy #endif #ifndef PROCESS_INCOHERENT_DETECTOR #define PROCESS_INCOHERENT_DETECTOR dummy #endif /* Shared user declarations for all components types 'Single_crystal_process'. */ #ifndef Union #error "The Union_init component must be included before this Single_crystal_process component" #endif /******************************************************************************* * * McStas, neutron ray-tracing package * Copyright 1997-2002, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Library: share/read_table-lib.h * * %Identification * Written by: EF * Date: Aug 28, 2002 * Origin: ILL * Release: McStas 1.6 * Version: $Revision$ * * This file is to be imported by components that may read data from table files * It handles some shared functions. * * This library may be used directly as an external library. It has no dependency * * Usage: within SHARE * %include "read_table-lib" * *******************************************************************************/ #ifndef READ_TABLE_LIB_H #define READ_TABLE_LIB_H "$Revision$" #define READ_TABLE_STEPTOL 0.04 /* tolerancy for constant step approx */ #ifndef MC_PATHSEP_C #ifdef WIN32 #define MC_PATHSEP_C '\\' #define MC_PATHSEP_S "\\" #else /* !WIN32 */ #ifdef MAC #define MC_PATHSEP_C ':' #define MC_PATHSEP_S ":" #else /* !MAC */ #define MC_PATHSEP_C '/' #define MC_PATHSEP_S "/" #endif /* !MAC */ #endif /* !WIN32 */ #endif /* !MC_PATHSEP_C */ #ifndef MCSTAS #ifdef WIN32 #define MCSTAS "C:\\mcstas\\lib" #else /* !WIN32 */ #ifdef MAC #define MCSTAS ":mcstas:lib" /* ToDo: What to put here? */ #else /* !MAC */ #define MCSTAS "/usr/local/lib/mcstas" #endif /* !MAC */ #endif /* !WIN32 */ #endif /* !MCSTAS */ #include #include #include #ifndef _MSC_EXTENSIONS #include #else # include # define strcasecmp _stricmp # define strncasecmp _strnicmp #endif typedef struct struct_table { char filename[1024]; long filesize; char *header; /* text header, e.g. comments */ double *data; /* vector { x[0], y[0], ... x[n-1], y[n-1]... } */ double min_x; /* min value of first column */ double max_x; /* max value of first column */ double step_x; /* minimal step value of first column */ long rows; /* number of rows in matrix block */ long columns; /* number of columns in matrix block */ long begin; /* start fseek index of block */ long end; /* stop fseek index of block */ long block_number; /* block index. 0 is catenation of all */ long array_length; /* number of elements in the t_Table array */ char monotonic; /* true when 1st column/vector data is monotonic */ char constantstep; /* true when 1st column/vector data has constant step */ char method[32]; /* interpolation method: nearest, linear */ char quiet; /*output level for messages to the console 0: print all messages, 1:only print some/including errors, 2: never print anything.*/ } t_Table; /*maximum number of rows to rebin a table = 1M*/ enum { mcread_table_rebin_maxsize = 1000000 }; typedef struct t_Read_table_file_item { int ref_count; t_Table *table_ref; } t_Read_table_file_item; typedef enum enum_Read_table_file_actions {STORE,FIND,GC} t_Read_table_file_actions; /* read_table-lib function prototypes */ /* ========================================================================= */ /* 'public' functions */ long Table_Read (t_Table *Table, char *File, long block_number); long Table_Read_Offset (t_Table *Table, char *File, long block_number, long *offset, long max_lines); long Table_Read_Offset_Binary(t_Table *Table, char *File, char *Type, long *Offset, long Rows, long Columns); long Table_Rebin(t_Table *Table); /* rebin table with regular 1st column and interpolate all columns 2:end */ long Table_Info (t_Table Table); #pragma acc routine double Table_Index(t_Table Table, long i, long j); /* get indexed value */ #pragma acc routine double Table_Value(t_Table Table, double X, long j); /* search X in 1st column and return interpolated value in j-column */ t_Table *Table_Read_Array(char *File, long *blocks); void Table_Free_Array(t_Table *Table); long Table_Info_Array(t_Table *Table); int Table_SetElement(t_Table *Table, long i, long j, double value); long Table_Init(t_Table *Table, long rows, long columns); /* create a Table */ #pragma acc routine double Table_Value2d(t_Table Table, double X, double Y); /* same as Table_Index with non-integer indices and 2d interpolation */ MCDETECTOR Table_Write(t_Table Table, char*file, char*xl, char*yl, double x1, double x2, double y1, double y2); /* write Table to disk */ void * Table_File_List_Handler(t_Read_table_file_actions action, void *item, void *item_modifier); t_Table *Table_File_List_find(char *name, int block, int offset); int Table_File_List_gc(t_Table *tab); void *Table_File_List_store(t_Table *tab); #define Table_ParseHeader(header, ...) \ Table_ParseHeader_backend(header,__VA_ARGS__,NULL); char **Table_ParseHeader_backend(char *header, ...); FILE *Open_File(char *name, const char *Mode, char *path); /* private functions */ void Table_Free(t_Table *Table); long Table_Read_Handle(t_Table *Table, FILE *fid, long block_number, long max_lines, char *name); static void Table_Stat(t_Table *Table); #pragma acc routine double Table_Interp1d(double x, double x1, double y1, double x2, double y2); #pragma acc routine double Table_Interp1d_nearest(double x, double x1, double y1, double x2, double y2); #pragma acc routine double Table_Interp2d(double x, double y, double x1, double y1, double x2, double y2, double z11, double z12, double z21, double z22); #endif /* end of read_table-lib.h */ /******************************************************************************* * * McStas, neutron ray-tracing package * Copyright (C) 1997-2009, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Library: share/read_table-lib.c * * %Identification * Written by: EF * Date: Aug 28, 2002 * Origin: ILL * Release: McStas CVS_090504 * Version: $Revision$ * * This file is to be imported by components that may read data from table files * It handles some shared functions. Embedded within instrument in runtime mode. * * Usage: within SHARE * %include "read_table-lib" * *******************************************************************************/ #ifndef READ_TABLE_LIB_H #include "read_table-lib.h" #endif #ifndef READ_TABLE_LIB_C #define READ_TABLE_LIB_C "$Revision$" /******************************************************************************* * void *Table_File_List_Handler(action, item, item_modifier) * ACTION: handle file entries in the read_table-lib file list. If a file is read - it is supposed to be * stored in a list such that we can avoid reading the same file many times. * input action: FIND, STORE, GC. check if file exists in the list, store an item in the list, or check if it can be garbage collected. * input item: depends on the action. * FIND) item is a filename, and item_modifier is the block number * STORE) item is the Table to store - item_modifier is ignored * GC) item is the Table to check. If it has a ref_count >1 then this is simply decremented. * return depends on the action * FIND) return a reference to a table+ref_count item if found - NULL otherwise. I.e. NULL means the file has not been read before and must be read again. * STORE) return NULL always * GC) return NULL if no garbage collection is needed, return an adress to the t_Table which should be garbage collected. 0x1 is returned if * the item is not found in the list *******************************************************************************/ void * Table_File_List_Handler(t_Read_table_file_actions action, void *item, void *item_modifier){ /* logic here is Read_Table should include a call to FIND. If found the return value should just be used as * if the table had been read from disk. If not found then read the table and STORE. * Table_Free should include a call to GC. If this returns non-NULL then we should proceed with freeing the memory * associated with the table item - otherwise only decrement the reference counter since there are more references * that may need it.*/ static t_Read_table_file_item read_table_file_list[1024]; static int read_table_file_count=0; t_Read_table_file_item *tr; switch(action){ case FIND: /*interpret data item as a filename, if it is found return a pointer to the table and increment refcount. * if not found return the item itself*/ tr=read_table_file_list; while ( tr->table_ref!=NULL ){ int i=*((int*) item_modifier); int j=*( ((int*) item_modifier)+1); if ( !strcmp(tr->table_ref->filename,(char *) item) && tr->table_ref->block_number==i && tr->table_ref->begin==j ){ tr->ref_count++; return (void *) tr; } tr++; } return NULL; case STORE: /*find an available slot and store references to table there*/ tr=&(read_table_file_list[read_table_file_count++]); tr->table_ref = ((t_Table *) item); tr->ref_count++; return NULL; case GC: /* Should this item be garbage collected (freed) - if so scratch the entry and return the address of the item - * else decrement ref_count and return NULL. * A non-NULL return expects the item to actually be freed afterwards.*/ tr=read_table_file_list; while ( tr->table_ref!=NULL ){ if ( tr->table_ref->data ==((t_Table *)item)->data && tr->table_ref->block_number == ((t_Table *)item)->block_number){ /*matching item found*/ if (tr->ref_count>1){ /*the item is found and no garbage collection needed*/ tr->ref_count--; return NULL; }else{ /* The item is found and the reference counter is 1. * This means we should garbage collect. Move remaining list items up one slot, * and return the table for garbage collection by caller*/ while (tr->table_ref!=NULL){ *tr=*(tr+1); tr++; } read_table_file_count--; return (t_Table *) item; } } tr++; } /* item not found, and so should be garbage collected. This could be the case if freeing a * Table that has been constructed from code - not read from file. Return 0x1 to flag it for * collection.*/ return (void *) 0x1 ; } /* If we arrive here, nothing worked, return NULL */ return NULL; } /* Access functions to the handler*/ /******************************************** * t_Table *Table_File_List_find(char *name, int block, int offset) * input name: filename to search for in the file list * input block: data block in the file as each file may contain more than 1 data block. * return a ref. to a table if it is found (you may use this pointer and skip reading the file), NULL otherwise (i.e. go ahead and read the file) *********************************************/ t_Table *Table_File_List_find(char *name, int block, int offset){ int vars[2]={block,offset}; t_Read_table_file_item *item = Table_File_List_Handler(FIND,name, vars); if (item == NULL){ return NULL; }else{ return item->table_ref; } } /******************************************** * int Table_File_List_gc(t_Table *tab) * input tab: the table to check for references. * return 0: no garbage collection needed * 1: Table's data and header (at least) should be freed. *********************************************/ int Table_File_List_gc(t_Table *tab){ void *rval=Table_File_List_Handler(GC,tab,0); if (rval==NULL) return 0; else return 1; } /***************************************************************************** * void *Table_File_List_store(t_Table *tab) * input tab: pointer to table to store. * return None. *******************************************************************************/ void *Table_File_List_store(t_Table *tab){ return Table_File_List_Handler(STORE,tab,0); } /******************************************************************************* * FILE *Open_File(char *name, char *Mode, char *path) * ACTION: search for a file and open it. Optionally return the opened path. * input name: file name from which table should be extracted * mode: "r", "w", "a" or any valid fopen mode * path: NULL or a pointer to at least 1024 allocated chars * return initialized file handle or NULL in case of error *******************************************************************************/ FILE *Open_File(char *File, const char *Mode, char *Path) { char path[1024]; FILE *hfile = NULL; if (!File || File[0]=='\0') return(NULL); if (!strcmp(File,"NULL") || !strcmp(File,"0")) return(NULL); /* search in current or full path */ strncpy(path, File, 1024); hfile = fopen(path, Mode); if(!hfile) { char dir[1024]; if (!hfile && instrument_source[0] != '\0' && strlen(instrument_source)) /* search in instrument source location */ { char *path_pos = NULL; /* extract path: searches for last file separator */ path_pos = strrchr(instrument_source, MC_PATHSEP_C); /* last PATHSEP */ if (path_pos) { long path_length = path_pos +1 - instrument_source; /* from start to path+sep */ if (path_length) { strncpy(dir, instrument_source, path_length); dir[path_length] = '\0'; snprintf(path, 1024, "%s%c%s", dir, MC_PATHSEP_C, File); hfile = fopen(path, Mode); } } } if (!hfile && instrument_exe[0] != '\0' && strlen(instrument_exe)) /* search in PWD instrument executable location */ { char *path_pos = NULL; /* extract path: searches for last file separator */ path_pos = strrchr(instrument_exe, MC_PATHSEP_C); /* last PATHSEP */ if (path_pos) { long path_length = path_pos +1 - instrument_exe; /* from start to path+sep */ if (path_length) { strncpy(dir, instrument_exe, path_length); dir[path_length] = '\0'; snprintf(path, 1024, "%s%c%s", dir, MC_PATHSEP_C, File); hfile = fopen(path, Mode); } } } if (!hfile) /* search in HOME or . */ { strcpy(dir, getenv("HOME") ? getenv("HOME") : "."); snprintf(path, 1024, "%s%c%s", dir, MC_PATHSEP_C, File); hfile = fopen(path, Mode); } if (!hfile) /* search in MCSTAS/data */ { strcpy(dir, getenv(FLAVOR_UPPER) ? getenv(FLAVOR_UPPER) : MCSTAS); snprintf(path, 1024, "%s%c%s%c%s", dir, MC_PATHSEP_C, "data", MC_PATHSEP_C, File); hfile = fopen(path, Mode); } if (!hfile) /* search in MVCSTAS/contrib */ { strcpy(dir, getenv(FLAVOR_UPPER) ? getenv(FLAVOR_UPPER) : MCSTAS); snprintf(path, 1024, "%s%c%s%c%s", dir, MC_PATHSEP_C, "contrib", MC_PATHSEP_C, File); hfile = fopen(path, Mode); } if(!hfile) { // fprintf(stderr, "Warning: Could not open input file '%s' (Open_File)\n", File); return (NULL); } } if (Path) strncpy(Path, path, 1024); return(hfile); } /* end Open_File */ /******************************************************************************* * long Read_Table(t_Table *Table, char *name, int block_number) * ACTION: read a single Table from a text file * input Table: pointer to a t_Table structure * name: file name from which table should be extracted * block_number: if the file does contain more than one * data block, then indicates which one to get (from index 1) * a 0 value means append/catenate all * return initialized single Table t_Table structure containing data, header, ... * number of read elements (-1: error, 0:header only) * The routine stores any line starting with '#', '%' and ';' into the header * File is opened, read and closed * Other lines are interpreted as numerical data, and stored. * Data block should be a rectangular matrix or vector. * Data block may be rebinned with Table_Rebin (also sort in ascending order) *******************************************************************************/ long Table_Read(t_Table *Table, char *File, long block_number) { /* reads all or a single data block from 'file' and returns a Table structure */ return(Table_Read_Offset(Table, File, block_number, NULL, 0)); } /* end Table_Read */ /******************************************************************************* * long Table_Read_Offset(t_Table *Table, char *name, int block_number, long *offset * long max_rows) * ACTION: read a single Table from a text file, starting at offset * Same as Table_Read(..) except: * input offset: pointer to an offset (*offset should be 0 at start) * max_rows: max number of data rows to read from file (0 means all) * return initialized single Table t_Table structure containing data, header, ... * number of read elements (-1: error, 0:header only) * updated *offset position (where end of reading occured) *******************************************************************************/ long Table_Read_Offset(t_Table *Table, char *File, long block_number, long *offset, long max_rows) { /* reads all/a data block in 'file' and returns a Table structure */ FILE *hfile; long nelements=0; long begin=0; long filesize=0; char name[1024]; char path[1024]; struct stat stfile; /*Need to be able to store the pointer*/ if (!Table) return(-1); /*TK: Valgrind flags it as usage of uninitialised variable: */ Table->quiet = 0; //if (offset && *offset) snprintf(name, 1024, "%s@%li", File, *offset); //else strncpy(name, File, 1024); if(offset && *offset){ begin=*offset; } /* Check if the table has already been read from file. * If so just reuse the table, if not (this is flagged by returning NULL * set up a new table and read the data into it */ t_Table *tab_p= Table_File_List_find(name,block_number,begin); if ( tab_p!=NULL ){ /*table was found in the Table_File_List*/ *Table=*tab_p; MPI_MASTER( if(Table->quiet<1) printf("Reusing input file '%s' (Table_Read_Offset)\n", name); ); return Table->rows*Table->columns; } /* open the file */ hfile = Open_File(File, "r", path); if (!hfile) return(-1); else { MPI_MASTER( if(Table->quiet<1) printf("Opening input file '%s' (Table_Read_Offset)\n", path); ); } /* read file state */ stat(path,&stfile); filesize = stfile.st_size; if (offset && *offset) fseek(hfile, *offset, SEEK_SET); begin = ftell(hfile); Table_Init(Table, 0, 0); /* read file content and set the Table */ nelements = Table_Read_Handle(Table, hfile, block_number, max_rows, name); Table->begin = begin; Table->end = ftell(hfile); Table->filesize = (filesize>0 ? filesize : 0); Table_Stat(Table); Table_File_List_store(Table); if (offset) *offset=Table->end; fclose(hfile); return(nelements); } /* end Table_Read_Offset */ /******************************************************************************* * long Table_Read_Offset_Binary(t_Table *Table, char *File, char *type, * long *offset, long rows, long columns) * ACTION: read a single Table from a binary file, starting at offset * Same as Table_Read_Offset(..) except that it handles binary files. * input type: may be "float"/NULL or "double" * offset: pointer to an offset (*offset should be 0 at start) * rows : number of rows (0 means read all) * columns: number of columns * return initialized single Table t_Table structure containing data, header, ... * number of read elements (-1: error, 0:header only) * updated *offset position (where end of reading occured) *******************************************************************************/ long Table_Read_Offset_Binary(t_Table *Table, char *File, char *type, long *offset, long rows, long columns) { /* reads all/a data block in binary 'file' and returns a Table structure */ long nelements, sizeofelement; long filesize; FILE *hfile; char path[1024]; struct stat stfile; double *data = NULL; double *datatmp = NULL; long i; long begin; if (!Table) return(-1); Table_Init(Table, 0, 0); /* open the file */ hfile = Open_File(File, "r", path); if (!hfile) return(-1); else { MPI_MASTER( if(Table->quiet<1) printf("Opening input file '%s' (Table_Read, Binary)\n", path); ); } /* read file state */ stat(File,&stfile); filesize = stfile.st_size; Table->filesize=filesize; /* read file content */ if (type && !strcmp(type,"double")) sizeofelement = sizeof(double); else sizeofelement = sizeof(float); if (offset && *offset) fseek(hfile, *offset, SEEK_SET); begin = ftell(hfile); if (rows && filesize > sizeofelement*columns*rows) nelements = columns*rows; else nelements = (long)(filesize/sizeofelement); if (!nelements || filesize <= *offset) return(0); data = (double*)malloc(nelements*sizeofelement); if (!data) { if(!(Table->quiet>1)) fprintf(stderr,"Error: allocating %ld elements for %s file '%s'. Too big (Table_Read_Offset_Binary).\n", nelements, type, File); exit(-1); } nelements = fread(data, sizeofelement, nelements, hfile); if (!data || !nelements) { if(!(Table->quiet>1)) fprintf(stderr,"Error: reading %ld elements from %s file '%s' (Table_Read_Offset_Binary)\n", nelements, type, File); exit(-1); } Table->begin = begin; Table->end = ftell(hfile); if (offset) *offset=Table->end; fclose(hfile); datatmp = (double*)realloc(data, (double)nelements*sizeofelement); if (!datatmp) { free(data); fprintf(stderr,"Error: reallocating %ld elements for %s file '%s'. Too big (Table_Read_Offset_Binary).\n", nelements, type, File); exit(-1); } else { data = datatmp; } /* copy file data into Table */ if (type && !strcmp(type,"double")) Table->data = data; else { float *s; double *dataf; s = (float*)data; dataf = (double*)malloc(sizeof(double)*nelements); if (!dataf) { fprintf(stderr, "Could not allocate data block of size %ld\n", nelements); exit(-1); } for (i=0; idata = dataf; } strncpy(Table->filename, File, 1024); Table->rows = nelements/columns; Table->columns = columns; Table->array_length = 1; Table->block_number = 1; Table_Stat(Table); return(nelements); } /* end Table_Read_Offset_Binary */ /******************************************************************************* * long Table_Read_Handle(t_Table *Table, FILE *fid, int block_number, long max_rows, char *name) * ACTION: read a single Table from a text file handle (private) * input Table:pointer to a t_Table structure * fid: pointer to FILE handle * block_number: if the file does contain more than one * data block, then indicates which one to get (from index 1) * a 0 value means append/catenate all * max_rows: if non 0, only reads that number of lines * return initialized single Table t_Table structure containing data, header, ... * modified Table t_Table structure containing data, header, ... * number of read elements (-1: error, 0:header only) * The routine stores any line starting with '#', '%' and ';' into the header * Other lines are interpreted as numerical data, and stored. * Data block should be a rectangular matrix or vector. * Data block may be rebined with Table_Rebin (also sort in ascending order) *******************************************************************************/ long Table_Read_Handle(t_Table *Table, FILE *hfile, long block_number, long max_rows, char *name) { /* reads all/a data block from 'file' handle and returns a Table structure */ double *Data = NULL; double *Datatmp = NULL; char *Header = NULL; char *Headertmp = NULL; long malloc_size = CHAR_BUF_LENGTH; long malloc_size_h = 4096; long Rows = 0, Columns = 0; long count_in_array = 0; long count_in_header = 0; long count_invalid = 0; long block_Current_index = 0; char flag_End_row_loop = 0; if (!Table) return(-1); Table_Init(Table, 0, 0); if (name && name[0]!='\0') strncpy(Table->filename, name, 1024); if(!hfile) { fprintf(stderr, "Error: File handle is NULL (Table_Read_Handle).\n"); return (-1); } Header = (char*) calloc(malloc_size_h, sizeof(char)); Data = (double*)calloc(malloc_size, sizeof(double)); if ((Header == NULL) || (Data == NULL)) { fprintf(stderr, "Error: Could not allocate Table and Header (Table_Read_Handle).\n"); return (-1); } int flag_In_array = 0; do { /* while (!flag_End_row_loop) */ char *line=malloc(1024*CHAR_BUF_LENGTH*sizeof(char)); long back_pos=0; /* ftell start of line */ if (!line) { fprintf(stderr,"Could not allocate line buffer\n"); exit(-1); } back_pos = ftell(hfile); if (fgets(line, 1024*CHAR_BUF_LENGTH, hfile) != NULL) { /* analyse line */ /* first skip blank and tabulation characters */ int i = strspn(line, " \t"); /* handle comments: stored in header */ if (NULL != strchr("#%;/", line[i])) { /* line is a comment */ count_in_header += strlen(line); if (count_in_header >= malloc_size_h) { /* if succeed and in array : add (and realloc if necessary) */ malloc_size_h = count_in_header+4096; char *Headertmp = (char*)realloc(Header, malloc_size_h*sizeof(char)); if(!Headertmp) { free(Header); fprintf(stderr, "Error: Could not reallocate Header (Table_Read_Handle).\n"); free(Header); return (-1); } else { Header = Headertmp; } } strncat(Header, line, 4096); flag_In_array=0; /* exit line and file if passed desired block */ if (block_number > 0 && block_number == block_Current_index) { flag_End_row_loop = 1; } /* Continue with next line */ continue; } if (strstr(line, "***")) { count_invalid++; /* Continue with next line */ continue; } /* get the number of columns splitting line with strtok */ char *lexeme; char flag_End_Line = 0; long block_Num_Columns = 0; const char seps[] = " ,;\t\n\r"; lexeme = strtok(line, seps); while (!flag_End_Line) { if ((lexeme != NULL) && (lexeme[0] != '\0')) { /* reading line: the token is not empty */ double X; int count=1; /* test if we have 'NaN','Inf' */ if (!strncasecmp(lexeme,"NaN",3)) X = 0; else if (!strncasecmp(lexeme,"Inf",3) || !strncasecmp(lexeme,"+Inf",4)) X = FLT_MAX; else if (!strncasecmp(lexeme,"-Inf",4)) X = -FLT_MAX; else count = sscanf(lexeme,"%lg",&X); if (count == 1) { /* reading line: the token is a number in the line */ if (!flag_In_array) { /* reading num: not already in a block: starts a new data block */ block_Current_index++; flag_In_array = 1; block_Num_Columns= 0; if (block_number > 0) { /* initialise a new data block */ Rows = 0; count_in_array = 0; } /* else append */ } /* reading num: all blocks or selected block */ if (flag_In_array && (block_number == 0 || block_number == block_Current_index)) { /* starting block: already the desired number of rows ? */ if (block_Num_Columns == 0 && max_rows > 0 && Rows >= max_rows) { flag_End_Line = 1; flag_End_row_loop = 1; flag_In_array = 0; /* reposition to begining of line (ignore line) */ fseek(hfile, back_pos, SEEK_SET); } else { /* store into data array */ if (count_in_array >= malloc_size) { /* realloc data buffer if necessary */ malloc_size = count_in_array*1.5; Datatmp = (double*) realloc(Data, malloc_size*sizeof(double)); if (Datatmp == NULL) { fprintf(stderr, "Error: Can not re-allocate memory %zi (Table_Read_Handle).\n", malloc_size*sizeof(double)); free(Data); return (-1); } else { Data=Datatmp; } } if (0 == block_Num_Columns) Rows++; Data[count_in_array] = X; count_in_array++; block_Num_Columns++; } } /* reading num: end if flag_In_array */ } /* end reading num: end if sscanf lexeme -> numerical */ else { /* reading line: the token is not numerical in that line. end block */ if (block_Current_index == block_number) { flag_End_Line = 1; flag_End_row_loop = 1; } else { flag_In_array = 0; flag_End_Line = 1; } } } else { /* no more tokens in line */ flag_End_Line = 1; if (block_Num_Columns > 0) Columns = block_Num_Columns; } // parse next token lexeme = strtok(NULL, seps); } /* while (!flag_End_Line) */ } /* end: if fgets */ else flag_End_row_loop = 1; /* else fgets : end of file */ free(line); } while (!flag_End_row_loop); /* end while flag_End_row_loop */ Table->block_number = block_number; Table->array_length = 1; // shrink header to actual size (plus terminating 0-byte) if (count_in_header) { Headertmp = (char*)realloc(Header, count_in_header*sizeof(char) + 1); if(!Headertmp) { fprintf(stderr, "Error: Could not shrink Header (Table_Read_Handle).\n"); free(Header); return (-1); } else { Header = Headertmp; } } Table->header = Header; if (count_in_array*Rows*Columns == 0) { Table->rows = 0; Table->columns = 0; free(Data); return (0); } if (Rows * Columns != count_in_array) { fprintf(stderr, "Warning: Read_Table :%s %s Data has %li values that should be %li x %li\n", (Table->filename[0] != '\0' ? Table->filename : ""), (!block_number ? " catenated" : ""), count_in_array, Rows, Columns); Columns = count_in_array; Rows = 1; } if (count_invalid) { fprintf(stderr,"Warning: Read_Table :%s %s Data has %li invalid lines (*****). Ignored.\n", (Table->filename[0] != '\0' ? Table->filename : ""), (!block_number ? " catenated" : ""), count_invalid); } Datatmp = (double*)realloc(Data, count_in_array*sizeof(double)); if(!Datatmp) { fprintf(stderr, "Error: Could reallocate Data block to %li doubles (Table_Read_Handle).\n", count_in_array); free(Data); return (-1); } else { Data = Datatmp; } Table->data = Data; Table->rows = Rows; Table->columns = Columns; return (count_in_array); } /* end Table_Read_Handle */ /******************************************************************************* * long Table_Rebin(t_Table *Table) * ACTION: rebin a single Table, sorting 1st column in ascending order * input Table: single table containing data. * The data block is reallocated in this process * return updated Table with increasing, evenly spaced first column (index 0) * number of data elements (-1: error, 0:empty data) *******************************************************************************/ long Table_Rebin(t_Table *Table) { double new_step=0; long i; /* performs linear interpolation on X axis (0-th column) */ if (!Table) return(-1); if (!Table->data || Table->rows*Table->columns == 0 || !Table->step_x) return(0); Table_Stat(Table); /* recompute statitstics and minimal step */ new_step = Table->step_x; /* minimal step in 1st column */ if (!(Table->constantstep)) /* not already evenly spaced */ { long Length_Table; double *New_Table; Length_Table = ceil(fabs(Table->max_x - Table->min_x)/new_step)+1; /*return early if the rebinned table will become too large*/ if (Length_Table > mcread_table_rebin_maxsize){ fprintf(stderr,"WARNING: (Table_Rebin): Rebinning table from %s would exceed 1M rows. Skipping.\n", Table->filename); return(Table->rows*Table->columns); } New_Table = (double*)malloc(Length_Table*Table->columns*sizeof(double)); if (!New_Table) { fprintf(stderr,"Could not allocate New_Table of size %ld x %ld\n", Length_Table, Table->columns); exit(-1); } for (i=0; i < Length_Table; i++) { long j; double X; X = Table->min_x + i*new_step; New_Table[i*Table->columns] = X; for (j=1; j < Table->columns; j++) New_Table[i*Table->columns+j] = Table_Value(*Table, X, j); } /* end for i */ Table->rows = Length_Table; Table->step_x = new_step; Table->max_x = Table->min_x + (Length_Table-1)*new_step; /*max might not be the same anymore * Use Length_Table -1 since the first and laset rows are the limits of the defined interval.*/ free(Table->data); Table->data = New_Table; Table->constantstep=1; } /* end else (!constantstep) */ return (Table->rows*Table->columns); } /* end Table_Rebin */ /******************************************************************************* * double Table_Index(t_Table Table, long i, long j) * ACTION: read an element [i,j] of a single Table * input Table: table containing data * i : index of row (0:Rows-1) * j : index of column (0:Columns-1) * return Value = data[i][j] * Returns Value from the i-th row, j-th column of Table * Tests are performed on indexes i,j to avoid errors *******************************************************************************/ #ifndef MIN #define MIN(a, b) (((a) < (b)) ? (a) : (b)) #endif #ifndef MAX #define MAX(a, b) (((a) > (b)) ? (a) : (b)) #endif double Table_Index(t_Table Table, long i, long j) { long AbsIndex; if (Table.rows == 1 || Table.columns == 1) { /* vector */ j = MIN(MAX(0, i+j), Table.columns*Table.rows - 1); i = 0; } else { /* matrix */ i = MIN(MAX(0, i), Table.rows - 1); j = MIN(MAX(0, j), Table.columns - 1); } /* handle vectors specifically */ AbsIndex = i*(Table.columns)+j; if (Table.data != NULL) return (Table.data[AbsIndex]); else return 0; } /* end Table_Index */ /******************************************************************************* * void Table_SetElement(t_Table *Table, long i, long j, double value) * ACTION: set an element [i,j] of a single Table * input Table: table containing data * i : index of row (0:Rows-1) * j : index of column (0:Columns-1) * value = data[i][j] * Returns 0 in case of error * Tests are performed on indexes i,j to avoid errors *******************************************************************************/ int Table_SetElement(t_Table *Table, long i, long j, double value) { long AbsIndex; if (Table->rows == 1 || Table->columns == 1) { /* vector */ j = MIN(MAX(0, i+j), Table->columns*Table->rows - 1); i=0; } else { /* matrix */ i = MIN(MAX(0, i), Table->rows - 1); j = MIN(MAX(0, j), Table->columns - 1); } AbsIndex = i*(Table->columns)+j; if (Table->data != NULL) { Table->data[AbsIndex] = value; return 1; } return 0; } /* end Table_SetElement */ /******************************************************************************* * double Table_Value(t_Table Table, double X, long j) * ACTION: read column [j] of a single Table at row which 1st column is X * input Table: table containing data. * X : data value in the first column (index 0) * j : index of column from which is extracted the Value (0:Columns-1) * return Value = data[index for X][j] with linear interpolation * Returns Value from the j-th column of Table corresponding to the * X value for the 1st column (index 0) * Tests are performed (within Table_Index) on indexes i,j to avoid errors * NOTE: data should rather be monotonic, and evenly sampled. *******************************************************************************/ double Table_Value(t_Table Table, double X, long j) { long Index = -1; double X1=0, Y1=0, X2=0, Y2=0; double ret=0; if (X > Table.max_x) return Table_Index(Table,Table.rows-1 ,j); if (X < Table.min_x) return Table_Index(Table,0 ,j); // Use constant-time lookup when possible if(Table.constantstep) { Index = (long)floor( (X - Table.min_x) / (Table.max_x - Table.min_x) * (Table.rows-1)); X1 = Table_Index(Table,Index-1,0); X2 = Table_Index(Table,Index ,0); } // Use binary search on large, monotonic tables else if(Table.monotonic && Table.rows > 100) { long left = Table.min_x; long right = Table.max_x; while (!((X1 <= X) && (X < X2)) && (right - left > 1)) { Index = (left + right) / 2; X1 = Table_Index(Table, Index-1, 0); X2 = Table_Index(Table, Index, 0); if (X < X1) { right = Index; } else { left = Index; } } } // Fall back to linear search, if no-one else has set X1, X2 correctly if (!((X1 <= X) && (X < X2))) { /* look for index surrounding X in the table -> Index */ for (Index=1; Index <= Table.rows-1; Index++) { X1 = Table_Index(Table, Index-1,0); X2 = Table_Index(Table, Index ,0); if ((X1 <= X) && (X < X2)) break; } /* end for Index */ } Y1 = Table_Index(Table,Index-1, j); Y2 = Table_Index(Table,Index , j); #ifdef OPENACC #define strcmp(a,b) str_comp(a,b) #endif if (!strcmp(Table.method,"linear")) { ret = Table_Interp1d(X, X1,Y1, X2,Y2); } else if (!strcmp(Table.method,"nearest")) { ret = Table_Interp1d_nearest(X, X1,Y1, X2,Y2); } #ifdef OPENACC #ifdef strcmp #undef strcmp #endif #endif return ret; } /* end Table_Value */ /******************************************************************************* * double Table_Value2d(t_Table Table, double X, double Y) * ACTION: read element [X,Y] of a matrix Table * input Table: table containing data. * X : row index, may be non integer * Y : column index, may be non integer * return Value = data[index X][index Y] with bi-linear interpolation * Returns Value for the indices [X,Y] * Tests are performed (within Table_Index) on indexes i,j to avoid errors * NOTE: data should rather be monotonic, and evenly sampled. *******************************************************************************/ double Table_Value2d(t_Table Table, double X, double Y) { long x1,x2,y1,y2; double z11,z12,z21,z22; double ret=0; x1 = (long)floor(X); y1 = (long)floor(Y); if (x1 > Table.rows-1 || x1 < 0) { x2 = x1; } else { x2 = x1 + 1; } if (y1 > Table.columns-1 || y1 < 0) { y2 = y1; } else { y2 = y1 + 1; } z11 = Table_Index(Table, x1, y1); if (y2 != y1) z12=Table_Index(Table, x1, y2); else z12 = z11; if (x2 != x1) z21=Table_Index(Table, x2, y1); else z21 = z11; if (y2 != y1) z22=Table_Index(Table, x2, y2); else z22 = z21; #ifdef OPENACC #define strcmp(a,b) str_comp(a,b) #endif if (!strcmp(Table.method,"linear")) ret = Table_Interp2d(X,Y, x1,y1,x2,y2, z11,z12,z21,z22); #ifdef OPENACC #ifdef strcmp #undef strcmp #endif #endif else { if (fabs(X-x1) < fabs(X-x2)) { if (fabs(Y-y1) < fabs(Y-y2)) ret = z11; else ret = z12; } else { if (fabs(Y-y1) < fabs(Y-y2)) ret = z21; else ret = z22; } } return ret; } /* end Table_Value2d */ /******************************************************************************* * void Table_Free(t_Table *Table) * ACTION: free a single Table. First Call Table_File_list_gc. If this returns * non-zero it means there are more refernces to the table, and so the table * should not bee freed. * return: empty Table *******************************************************************************/ void Table_Free(t_Table *Table) { if( !Table_File_List_gc(Table) ){ return; } if (!Table) return; if (Table->data != NULL) free(Table->data); if (Table->header != NULL) free(Table->header); Table->data = NULL; Table->header = NULL; } /* end Table_Free */ /****************************************************************************** * void Table_Info(t_Table Table) * ACTION: print informations about a single Table *******************************************************************************/ long Table_Info(t_Table Table) { char buffer[256]; long ret=0; if (!Table.block_number) strcpy(buffer, "catenated"); else sprintf(buffer, "block %li", Table.block_number); printf("Table from file '%s' (%s)", Table.filename[0] != '\0' ? Table.filename : "", buffer); if ((Table.data != NULL) && (Table.rows*Table.columns)) { printf(" is %li x %li ", Table.rows, Table.columns); if (Table.rows*Table.columns > 1) printf("(x=%g:%g)", Table.min_x, Table.max_x); else printf("(x=%g) ", Table.min_x); ret = Table.rows*Table.columns; if (Table.monotonic) printf(", monotonic"); if (Table.constantstep) printf(", constant step"); printf(". interpolation: %s\n", Table.method); } else printf(" is empty.\n"); if (Table.header && strlen(Table.header)) { char *header; int i; header = malloc(80); if (!header) return(ret); for (i=0; i<80; header[i++]=0); strncpy(header, Table.header, 75); if (strlen(Table.header) > 75) { strcat( header, " ..."); } for (i=0; iheader = NULL; Table->filename[0]= '\0'; Table->filesize= 0; Table->min_x = 0; Table->max_x = 0; Table->step_x = 0; Table->block_number = 0; Table->array_length = 0; Table->monotonic = 0; Table->constantstep = 0; Table->begin = 0; Table->end = 0; strcpy(Table->method,"linear"); if (rows*columns >= 1) { data = (double*)malloc(rows*columns*sizeof(double)); if (data) for (i=0; i < rows*columns; data[i++]=0); else { if(Table->quiet<2) fprintf(stderr,"Error: allocating %ld double elements." "Too big (Table_Init).\n", rows*columns); rows = columns = 0; } } Table->rows = (rows >= 1 ? rows : 0); Table->columns = (columns >= 1 ? columns : 0); Table->data = data; return(Table->rows*Table->columns); } /* end Table_Init */ /****************************************************************************** * long Table_Write(t_Table Table, char *file, x1,x2, y1,y2) * ACTION: write a Table to disk (ascii). * when x1=x2=0 or y1=y2=0, the table default limits are used. * return: 0=all is fine, non-0: error *******************************************************************************/ MCDETECTOR Table_Write(t_Table Table, char *file, char *xl, char *yl, double x1, double x2, double y1, double y2) { MCDETECTOR detector; if ((Table.data == NULL) && (Table.rows*Table.columns)) { detector.m = 0; detector.xmin = 0; detector.xmax = 0; detector.ymin = 0; detector.ymax = 0; detector.zmin = 0; detector.zmax = 0; detector.intensity = 0; detector.error = 0; detector.events = 0; detector.min = 0; detector.max = 0; detector.mean = 0; detector.centerX = 0; detector.halfwidthX = 0; detector.centerY = 0; detector.halfwidthY = 0; detector.rank = 0; detector.istransposed = 0; detector.n = 0; detector.p = 0; detector.date_l = 0; detector.p0 = NULL; detector.p1 = NULL; detector.p2 = NULL; return(detector); /* Table is empty - nothing to do */ } if (!x1 && !x2) { x1 = Table.min_x; x2 = Table.max_x; } if (!y1 && !y2) { y1 = 1; y2 = Table.columns; } /* transfer content of the Table into a 2D detector */ Coords coords = { 0, 0, 0}; Rotation rot; rot_set_rotation(rot, 0, 0, 0); if (Table.rows == 1 || Table.columns == 1) { detector = mcdetector_out_1D(Table.filename, xl ? xl : "", yl ? yl : "", "x", x1, x2, Table.rows * Table.columns, NULL, Table.data, NULL, file, file, coords, rot,9999); } else { detector = mcdetector_out_2D(Table.filename, xl ? xl : "", yl ? yl : "", x1, x2, y1, y2, Table.rows, Table.columns, NULL, Table.data, NULL, file, file, coords, rot,9999); } return(detector); } /****************************************************************************** * void Table_Stat(t_Table *Table) * ACTION: computes min/max/mean step of 1st column for a single table (private) * return: updated Table *******************************************************************************/ static void Table_Stat(t_Table *Table) { long i; double max_x, min_x; double row=1; char monotonic=1; char constantstep=1; double step=0; long n; if (!Table) return; if (!Table->rows || !Table->columns) return; if (Table->rows == 1) row=0; // single row max_x = -FLT_MAX; min_x = FLT_MAX; n = (row ? Table->rows : Table->columns); /* get min and max of first column/vector */ for (i=0; i < n; i++) { double X; X = (row ? Table_Index(*Table,i ,0) : Table_Index(*Table,0, i)); if (X < min_x) min_x = X; if (X > max_x) max_x = X; } /* for */ /* test for monotonicity and constant step if the table is an XY or single vector */ if (n > 1) { /* mean step */ step = (max_x - min_x)/(n-1); /* now test if table is monotonic on first column, and get minimal step size */ for (i=0; i < n-1; i++) { double X, diff;; X = (row ? Table_Index(*Table,i ,0) : Table_Index(*Table,0, i)); diff = (row ? Table_Index(*Table,i+1,0) : Table_Index(*Table,0, i+1)) - X; if (diff && fabs(diff) < fabs(step)) step = diff; /* change sign ? */ if ((max_x - min_x)*diff < 0 && monotonic) monotonic = 0; } /* end for */ /* now test if steps are constant within READ_TABLE_STEPTOL */ if(!step){ /*means there's a disconitnuity -> not constantstep*/ constantstep=0; }else if (monotonic) { for (i=0; i < n-1; i++) { double X, diff; X = (row ? Table_Index(*Table,i ,0) : Table_Index(*Table,0, i)); diff = (row ? Table_Index(*Table,i+1,0) : Table_Index(*Table,0, i+1)) - X; if ( fabs(step)*(1+READ_TABLE_STEPTOL) < fabs(diff) || fabs(diff) < fabs(step)*(1-READ_TABLE_STEPTOL) ) { constantstep = 0; break; } } } } Table->step_x= step; Table->max_x = max_x; Table->min_x = min_x; Table->monotonic = monotonic; Table->constantstep = constantstep; } /* end Table_Stat */ /****************************************************************************** * t_Table *Table_Read_Array(char *File, long *blocks) * ACTION: read as many data blocks as available, iteratively from file * return: initialized t_Table array, last element is an empty Table. * the number of extracted blocks in non NULL pointer *blocks *******************************************************************************/ t_Table *Table_Read_Array(char *File, long *blocks) { t_Table *Table_Array = NULL; t_Table *Table_Arraytmp = NULL; long offset=0; long block_number=0; long allocated=256; long nelements=1; /* first allocate an initial empty t_Table array */ Table_Array = (t_Table *)malloc(allocated*sizeof(t_Table)); if (!Table_Array) { fprintf(stderr, "Error: Can not allocate memory %zi (Table_Read_Array).\n", allocated*sizeof(t_Table)); *blocks = 0; return (NULL); } while (nelements > 0) { t_Table Table; /* if ok, set t_Table block number else exit loop */ block_number++; Table.block_number = block_number; /* access file at offset and get following block. Block number is from the set offset * hence the hardcoded 1 - i.e. the next block counted from offset.*/ nelements = Table_Read_Offset(&Table, File, 1, &offset,0); /*if the block is empty - don't store it*/ if (nelements>0){ /* if t_Table array is not long enough, expand and realocate */ if (block_number >= allocated-1) { allocated += 256; Table_Arraytmp = (t_Table *)realloc(Table_Array, allocated*sizeof(t_Table)); if (!Table_Arraytmp) { fprintf(stderr, "Error: Can not re-allocate memory %zi (Table_Read_Array).\n", allocated*sizeof(t_Table)); free(Table_Array); *blocks = 0; return (NULL); } else { Table_Array = Table_Arraytmp; } } /* store it into t_Table array */ //snprintf(Table.filename, 1024, "%s#%li", File, block_number-1); Table_Array[block_number-1] = Table; } /* continues until we find an empty block */ } /* send back number of extracted blocks */ if (blocks) *blocks = block_number-1; /* now store total number of elements in Table array */ for (offset=0; offset < block_number; Table_Array[offset++].array_length = block_number-1); return(Table_Array); } /* end Table_Read_Array */ /******************************************************************************* * void Table_Free_Array(t_Table *Table) * ACTION: free a Table array *******************************************************************************/ void Table_Free_Array(t_Table *Table) { long index; if (!Table) return; for (index=0;index < Table[0].array_length; index++){ Table_Free(&Table[index]); } free(Table); } /* end Table_Free_Array */ /****************************************************************************** * long Table_Info_Array(t_Table *Table) * ACTION: print informations about a Table array * return: number of elements in the Table array *******************************************************************************/ long Table_Info_Array(t_Table *Table) { long index=0; if (!Table) return(-1); while (index < Table[index].array_length && (Table[index].data || Table[index].header) && (Table[index].rows*Table[index].columns) ) { Table_Info(Table[index]); index++; } printf("This Table array contains %li elements\n", index); return(index); } /* end Table_Info_Array */ /****************************************************************************** * char **Table_ParseHeader(char *header, symbol1, symbol2, ..., NULL) * ACTION: search for char* symbols in header and return their value or NULL * the search is not case sensitive. * Last argument MUST be NULL * return: array of char* with line following each symbol, or NULL if not found *******************************************************************************/ #ifndef MyNL_ARGMAX #define MyNL_ARGMAX 50 #endif char **Table_ParseHeader_backend(char *header, ...){ va_list ap; char exit_flag=0; int counter =0; char **ret =NULL; if (!header || header[0]=='\0') return(NULL); ret = (char**)calloc(MyNL_ARGMAX, sizeof(char*)); if (!ret) { printf("Table_ParseHeader: Cannot allocate %i values array for Parser (Table_ParseHeader).\n", MyNL_ARGMAX); return(NULL); } for (counter=0; counter < MyNL_ARGMAX; ret[counter++] = NULL); counter=0; va_start(ap, header); while(!exit_flag && counter < MyNL_ARGMAX-1) { char *arg_char=NULL; char *pos =NULL; /* get variable argument value as a char */ arg_char = va_arg(ap, char *); if (!arg_char || arg_char[0]=='\0'){ exit_flag = 1; break; } /* search for the symbol in the header */ pos = (char*)strcasestr(header, arg_char); if (pos) { char *eol_pos; eol_pos = strchr(pos+strlen(arg_char), '\n'); if (!eol_pos) eol_pos = strchr(pos+strlen(arg_char), '\r'); if (!eol_pos) eol_pos = pos+strlen(pos)-1; ret[counter] = (char*)malloc(eol_pos - pos); if (!ret[counter]) { printf("Table_ParseHeader: Cannot allocate value[%i] array for Parser searching for %s (Table_ParseHeader).\n", counter, arg_char); exit_flag = 1; break; } strncpy(ret[counter], pos+strlen(arg_char), eol_pos - pos - strlen(arg_char)); ret[counter][eol_pos - pos - strlen(arg_char)]='\0'; } counter++; } va_end(ap); return(ret); } /* Table_ParseHeader */ /****************************************************************************** * double Table_Interp1d(x, x1, y1, x2, y2) * ACTION: interpolates linearly at x between y1=f(x1) and y2=f(x2) * return: y=f(x) value *******************************************************************************/ double Table_Interp1d(double x, double x1, double y1, double x2, double y2) { double slope; if (x2 == x1) return (y1+y2)/2; if (y1 == y2) return y1; slope = (y2 - y1)/(x2 - x1); return y1+slope*(x - x1); } /* Table_Interp1d */ /****************************************************************************** * double Table_Interp1d_nearest(x, x1, y1, x2, y2) * ACTION: table lookup with nearest method at x between y1=f(x1) and y2=f(x2) * return: y=f(x) value *******************************************************************************/ double Table_Interp1d_nearest(double x, double x1, double y1, double x2, double y2) { if (fabs(x-x1) < fabs(x-x2)) return (y1); else return(y2); } /* Table_Interp1d_nearest */ /****************************************************************************** * double Table_Interp2d(x,y, x1,y1, x2,y2, z11,z12,z21,z22) * ACTION: interpolates bi-linearly at (x,y) between z1=f(x1,y1) and z2=f(x2,y2) * return: z=f(x,y) value * x,y | x1 x2 * ---------------- * y1 | z11 z21 * y2 | z12 z22 *******************************************************************************/ double Table_Interp2d(double x, double y, double x1, double y1, double x2, double y2, double z11, double z12, double z21, double z22) { double ratio_x, ratio_y; if (x2 == x1) return Table_Interp1d(y, y1,z11, y2,z12); if (y1 == y2) return Table_Interp1d(x, x1,z11, x2,z21); ratio_y = (y - y1)/(y2 - y1); ratio_x = (x - x1)/(x2 - x1); return (1-ratio_x)*(1-ratio_y)*z11 + ratio_x*(1-ratio_y)*z21 + ratio_x*ratio_y*z22 + (1-ratio_x)*ratio_y*z12; } /* Table_Interp2d */ /* end of read_table-lib.c */ #endif // READ_TABLE_LIB_C /******************************************************************************* * * McStas, neutron ray-tracing package * Copyright (C) 1997-2008, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Runtime: share/interoff.h * * %Identification * Written by: Reynald Arnerin * Date: Jun 12, 2008 * Release: * Version: * * Object File Format intersection header for McStas. Requires the qsort function. * * Such files may be obtained with e.g. * qhull < points.xyz Qx Qv Tv o > points.off * where points.xyz has format: * 3 * * * ... * The resulting file should have its first line being changed from '3' into 'OFF'. * It can then be displayed with geomview. * A similar, but somewhat older solution is to use 'powercrust' with e.g. * powercrust -i points.xyz * which will generate a 'pc.off' file to be renamed as suited. * *******************************************************************************/ #ifndef INTEROFF_LIB_H #define INTEROFF_LIB_H "$Revision$" #ifndef OFF_EPSILON #define OFF_EPSILON 1e-13 #endif #ifndef OFF_INTERSECT_MAX #ifdef OPENACC #define OFF_INTERSECT_MAX 100 #else #define OFF_INTERSECT_MAX 1024 #endif #endif //#include #define N_VERTEX_DISPLAYED 200000 typedef struct intersection { MCNUM time; //time of the intersection Coords v; //intersection point Coords normal; //normal vector of the surface intersected short in_out; //1 if the ray enters the volume, -1 otherwise short edge; //1 if the intersection is on the boundary of the polygon, and error is possible unsigned long index; // index of the face } intersection; typedef struct polygon { MCNUM* p; //vertices of the polygon in adjacent order, this way : x1 | y1 | z1 | x2 | y2 | z2 ... int npol; //number of vertices #pragma acc shape(p[0:npol]) init_needed(npol) Coords normal; double D; } polygon; typedef struct off_struct { long vtxSize; long polySize; long faceSize; Coords* vtxArray; #pragma acc shape(vtxArray[0:vtxSize]) init_needed(vtxSize) Coords* normalArray; #pragma acc shape(vtxArray[0:faceSize]) init_needed(faceSize) unsigned long* faceArray; #pragma acc shape(vtxArray[0:faceSize][0:polySize]) init_needed(faceSize,polySize) double* DArray; #pragma acc shape(vtxArray[0:polySize]) init_needed(polySize) char *filename; int mantidflag; long mantidoffset; intersection intersects[OFF_INTERSECT_MAX]; // After a call to off_intersect_all contains the list of intersections. int nextintersect; // 'Next' intersection (first t>0) solution after call to off_intersect_all int numintersect; // Number of intersections after call to off_intersect_all } off_struct; /******************************************************************************* * long off_init( char *offfile, double xwidth, double yheight, double zdepth, off_struct* data) * ACTION: read an OFF file, optionally center object and rescale, initialize OFF data structure * INPUT: 'offfile' OFF file to read * 'xwidth,yheight,zdepth' if given as non-zero, apply bounding box. * Specifying only one of these will also use the same ratio on all axes * 'notcenter' center the object to the (0,0,0) position in local frame when set to zero * RETURN: number of polyhedra and 'data' OFF structure *******************************************************************************/ long off_init( char *offfile, double xwidth, double yheight, double zdepth, int notcenter, off_struct* data); /******************************************************************************* * int off_intersect_all(double* t0, double* t3, Coords *n0, Coords *n3, double x, double y, double z, double vx, double vy, double vz, double ax, double ay, double az, off_struct *data ) * ACTION: computes intersection of neutron trajectory with an object. * INPUT: x,y,z and vx,vy,vz are the position and velocity of the neutron * ax, ay, az are the local acceleration vector * data points to the OFF data structure * RETURN: the number of polyhedral which trajectory intersects * t0 and t3 are the smallest incoming and outgoing intersection times * n0 and n3 are the corresponding normal vectors to the surface * data is the full OFF structure, including a list intersection type *******************************************************************************/ #pragma acc routine int off_intersect_all(double* t0, double* t3, Coords *n0, Coords *n3, double x, double y, double z, double vx, double vy, double vz, double ax, double ay, double az, off_struct *data ); /******************************************************************************* * int off_intersect(double* t0, double* t3, Coords *n0, Coords *n3, double x, double y, double z, double vx, double vy, double vz, double ax, double ay, double az, off_struct data ) * ACTION: computes intersection of neutron trajectory with an object. * INPUT: x,y,z and vx,vy,vz are the position and velocity of the neutron * ax, ay, az are the local acceleration vector * data points to the OFF data structure * RETURN: the number of polyhedral which trajectory intersects * t0 and t3 are the smallest incoming and outgoing intersection times * n0 and n3 are the corresponding normal vectors to the surface *******************************************************************************/ #pragma acc routine int off_intersect(double* t0, double* t3, Coords *n0, Coords *n3, double x, double y, double z, double vx, double vy, double vz, double ax, double ay, double az, off_struct data ); /***************************************************************************** * int off_intersectx(double* l0, double* l3, Coords *n0, Coords *n3, double x, double y, double z, double kx, double ky, double kz, off_struct data ) * ACTION: computes intersection of an xray trajectory with an object. * INPUT: x,y,z and kx,ky,kz, are spatial coordinates and wavevector of the x-ray * respectively. data points to the OFF data structure. * RETURN: the number of polyhedral the trajectory intersects * l0 and l3 are the smallest incoming and outgoing intersection lengths * n0 and n3 are the corresponding normal vectors to the surface *******************************************************************************/ #pragma acc routine int off_x_intersect(double *l0,double *l3, Coords *n0, Coords *n3, double x, double y, double z, double kx, double ky, double kz, off_struct data ); /******************************************************************************* * void off_display(off_struct data) * ACTION: display up to N_VERTEX_DISPLAYED points from the object *******************************************************************************/ void off_display(off_struct); /******************************************************************************* void p_to_quadratic(double eq[], Coords acc, Coords pos, Coords vel, double* teq) * ACTION: define the quadratic for the intersection of a parabola with a plane * INPUT: 'eq' plane equation * 'acc' acceleration vector * 'vel' velocity of the particle * 'pos' position of the particle * equation of plane A * x + B * y + C * z - D = 0 * eq[0] = (C*az)/2+(B*ay)/2+(A*ax)/2 * eq[1] = C*vz+B*vy+A*vx * eq[2] = C*z0+B*y0+A*x0-D * RETURN: equation of parabola: teq(0) * t^2 + teq(1) * t + teq(2) *******************************************************************************/ void p_to_quadratic(Coords norm, MCNUM d, Coords acc, Coords pos, Coords vel, double* teq); /******************************************************************************* int quadraticSolve(double eq[], double* x1, double* x2); * ACTION: solves the quadratic for the roots x1 and x2 * eq[0] * t^2 + eq[1] * t + eq[2] = 0 * INPUT: 'eq' the coefficients of the parabola * RETURN: roots x1 and x2 and the number of solutions *******************************************************************************/ int quadraticSolve(double* eq, double* x1, double* x2); #endif /* end of interoff-lib.h */ /******************************************************************************* * * McStas, neutron ray-tracing package * Copyright (C) 1997-2008, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Runtime: share/interoff-lib.c * * %Identification * Written by: Reynald Arnerin * Date: Jun 12, 2008 * Origin: ILL * Release: $Revision$ * Version: McStas X.Y * * Object File Format intersection library for McStas. Requires the qsort function. * * Such files may be obtained with e.g. * qhull < points.xyz Qx Qv Tv o > points.off * where points.xyz has format (it supports comments): * 3 * * * ... * The resulting file should have its first line being changed from '3' into 'OFF'. * It can then be displayed with geomview. * A similar, but somewhat older solution is to use 'powercrust' with e.g. * powercrust -i points.xyz * which will generate a 'pc.off' file to be renamed as suited. * *******************************************************************************/ #ifndef INTEROFF_LIB_H #include "interoff-lib.h" #endif #ifndef INTEROFF_LIB_C #define INTEROFF_LIB_C "$Revision$" #ifdef OPENACC // If on GPU map fprintf to printf #define fprintf(stderr,...) printf(__VA_ARGS__) #endif #pragma acc routine double off_F(double x, double y,double z,double A,double B,double C,double D) { return ( A*x + B*y + C*z + D ); } #pragma acc routine char off_sign(double a) { if (a<0) return(-1); else if (a==0) return(0); else return(1); } // off_normal ****************************************************************** //gives the normal vector of p #pragma acc routine void off_normal(Coords* n, polygon p) { //using Newell method int i=0,j=0; n->x=0;n->y=0;n->z=0; for (i = 0, j = p.npol-1; i < p.npol; j = i++) { MCNUM x1=p.p[3*i], y1=p.p[3*i+1], z1=p.p[3*i+2]; MCNUM x2=p.p[3*j], y2=p.p[3*j+1], z2=p.p[3*j+2]; // n is the cross product of v1*v2 n->x += (y1 - y2) * (z1 + z2); n->y += (z1 - z2) * (x1 + x2); n->z += (x1 - x2) * (y1 + y2); } } /* off_normal */ // off_pnpoly ****************************************************************** //based on http://www.ecse.rpi.edu/Homepages/wrf/Research/Short_Notes/pnpoly.html //return 0 if the vertex is out // 1 if it is in // -1 if on the boundary #pragma acc routine int off_pnpoly(polygon p, Coords v) { int i=0, c = 0; MCNUM minx=FLT_MAX,maxx=-FLT_MAX,miny=FLT_MAX,maxy=-FLT_MAX,minz=FLT_MAX,maxz=-FLT_MAX; MCNUM areax=0,areay=0,areaz=0; int pol2dx=0,pol2dy=1; //2d restriction of the poly MCNUM x=v.x,y=v.y; /*areax: projected area with x-scratched = |v1_yz x v2_yz|, where v1=(x1-x0,0,z1-z0) & v2=(x2-x0,0,z2-z0).*/ /* In principle, if polygon is triangle area should be scaled by 1/2, but this is irrelevant for finding the maximum area.*/ /* Similarly for y and z scratched.*/ areax=coords_len(coords_xp( coords_set(0,p.p[3*1+1]-p.p[0+1],p.p[3*1+2]-p.p[0+2]), coords_set(0,p.p[3*2+1]-p.p[0+1],p.p[3*2+2]-p.p[0+2]))); areay=coords_len(coords_xp( coords_set(p.p[3*1+0]-p.p[0+0],0,p.p[3*1+2]-p.p[0+2]), coords_set(p.p[3*2+0]-p.p[0+0],0,p.p[3*2+2]-p.p[0+2]))); areaz=coords_len(coords_xp( coords_set(p.p[3*1+0]-p.p[0+0],p.p[3*1+1]-p.p[0+1],0), coords_set(p.p[3*2+0]-p.p[0+0],p.p[3*2+1]-p.p[0+1],0))); if(areaztime = inter->edge = inter->in_out=0; inter->v = inter->normal = coords_set(0,0,1); if (fabs(ndir) < OFF_EPSILON) // ray is parallel to polygon plane { if (nw0 == 0) // ray lies in polygon plane (infinite number of solution) return 0; else return 0; // ray disjoint from plane (no solution) } // get intersect point of ray with polygon plane inter->time = nw0 / ndir; //parametric value the point on line (a,b) inter->v = coords_set(a.x + inter->time * dir.x,// intersect point of ray and plane a.y + inter->time * dir.y, a.z + inter->time * dir.z); int res=off_pnpoly(p,inter->v); inter->edge=(res==-1); if (ndir<0) inter->in_out=1; //the negative dot product means we enter the surface else inter->in_out=-1; inter->normal=p.normal; return res; //true if the intersection point lies inside the poly } /* off_intersectPoly */ // off_getBlocksIndex ********************************************************** /*reads the indexes at the beginning of the off file as this : line 1 OFF line 2 nbVertex nbFaces nbEdges */ FILE *off_getBlocksIndex(char* filename, long* vtxSize, long* polySize ) { FILE* f = Open_File(filename,"r", NULL); /* from read_table-lib: FILE *Open_File(char *name, char *Mode, char *path) */ if (!f) return (f); char line[CHAR_BUF_LENGTH]; char *ret=0; *vtxSize = *polySize = 0; /* **************** start to read the file header */ /* OFF file: 'OFF' or '3' */ ret=fgets(line,CHAR_BUF_LENGTH , f);// line 1 = "OFF" if (ret == NULL) { fprintf(stderr, "Error: Can not read 1st line in file %s (interoff/off_getBlocksIndex)\n", filename); exit(1); } if (strlen(line)>5) { fprintf(stderr,"Error: First line in %s is too long (=%lu). Possibly the line is not terminated by '\\n'.\n" " The first line is required to be exactly 'OFF', '3' or 'ply'.\n", filename,(long unsigned)strlen(line)); fclose(f); return(NULL); } if (strncmp(line,"OFF",3) && strncmp(line,"3",1) && strncmp(line,"ply",1)) { fprintf(stderr, "Error: %s is probably not an OFF, NOFF or PLY file (interoff/off_getBlocksIndex).\n" " Requires first line to be 'OFF', '3' or 'ply'.\n",filename); fclose(f); return(NULL); } if (!strncmp(line,"OFF",3) || !strncmp(line,"3",1)) { do /* OFF file: skip # comments which may be there */ { ret=fgets(line,CHAR_BUF_LENGTH , f); if (ret == NULL) { fprintf(stderr, "Error: Can not read line in file %s (interoff/off_getBlocksIndex)\n", filename); exit(1); } } while (line[0]=='#'); //line = nblines of vertex,faces and edges arrays sscanf(line,"%lu %lu",vtxSize,polySize); } else { do /* PLY file: read all lines until find 'end_header' and locate 'element faces' and 'element vertex' */ { ret=fgets(line,CHAR_BUF_LENGTH , f); if (ret == NULL) { fprintf(stderr, "Error: Can not read line in file %s (interoff/off_getBlocksIndex)\n", filename); exit(1); } if (!strncmp(line,"element face",12)) sscanf(line,"element face %lu",polySize); else if (!strncmp(line,"element vertex",14)) sscanf(line,"element vertex %lu",vtxSize); else if (!strncmp(line,"format binary",13)) exit(fprintf(stderr, "Error: Can not read binary PLY file %s, only 'format ascii' (interoff/off_getBlocksIndex)\n%s\n", filename, line)); } while (strncmp(line,"end_header",10)); } /* The FILE is left opened ready to read 'vtxSize' vertices (vtxSize *3 numbers) and then polySize polygons (rows) */ return(f); } /* off_getBlocksIndex */ // off_init_planes ************************************************************* //gives the equations of 2 perpandicular planes of [ab] #pragma acc routine void off_init_planes(Coords a, Coords b, MCNUM* A1, MCNUM* C1, MCNUM* D1, MCNUM *A2, MCNUM* B2, MCNUM* C2, MCNUM* D2) { //direction vector of [a b] Coords dir={b.x-a.x, b.y-a.y, b.z-a.z}; //the plane parallel to the 'y' is computed with the normal vector of the projection of [ab] on plane 'xz' *A1= dir.z; *C1=-dir.x; if(*A1!=0 || *C1!=0) *D1=-(a.x)*(*A1)-(a.z)*(*C1); else { //the plane does not support the vector, take the one parallel to 'z'' *A1=1; //B1=dir.x=0 *D1=-(a.x); } //the plane parallel to the 'x' is computed with the normal vector of the projection of [ab] on plane 'yz' *B2= dir.z; *C2=-dir.y; *A2= 0; if (*B2==0 && *C2==0) { //the plane does not support the vector, take the one parallel to 'z' *B2=1; //B1=dir.x=0 *D2=-(a.y); } else { if (dir.z==0) { //the planes are the same, take the one parallel to 'z' *A2= dir.y; *B2=-dir.x; *D2=-(a.x)*(*A2)-(a.y)*(*B2); } else *D2=-(a.y)**B2-(a.z)**C2; } } /* off_init_planes */ // off_clip_3D_mod ************************************************************* #pragma acc routine int off_clip_3D_mod(intersection* t, Coords a, Coords b, Coords* vtxArray, unsigned long vtxSize, unsigned long* faceArray, unsigned long faceSize, Coords* normalArray) { MCNUM A1=0, C1=0, D1=0, A2=0, B2=0, C2=0, D2=0; //perpendicular plane equations to [a,b] off_init_planes(a, b, &A1, &C1, &D1, &A2, &B2, &C2, &D2); int t_size=0; MCNUM popol[3*4]; /*3 dimensions and max 4 vertices to form a polygon*/ unsigned long i=0,indPoly=0; //exploring the polygons : i=indPoly=0; while (iOFF_INTERSECT_MAX) { fprintf(stderr, "Warning: number of intersection exceeded (%d) (interoff-lib/off_clip_3D_mod)\n", OFF_INTERSECT_MAX); return (t_size); } #endif //both planes intersect the polygon, let's find the intersection point //our polygon : int k; for (k=0; k t[0].time) { t[0]=x; } } else { /* Case 2, positive time */ intersection xtmp; if (x.time < t[3].time) { t[3]=x; if (t[3].time < t[2].time) { xtmp = t[2]; t[2] = t[3]; t[3] = xtmp; } if (t[2].time < t[1].time) { xtmp = t[1]; t[1] = t[2]; t[2] = xtmp; } } } #endif } } /* if (jCHAR_BUF_LENGTH) { fprintf(stderr, "Warning: number of intersection exceeded (%d) (interoff-lib/off_clip_3D_mod)\n", CHAR_BUF_LENGTH); return (t_size); } //both planes intersect the polygon, let's find the intersection point //our polygon : int k; for (k=0; k= 1) { double time = 1.0e36; if (x1 < time && x1 > 0.0) { time = x1; } if (nsol == 2 && x2 < time && x2 > 0.0) { time = x2; } if (time != 1.0e36) { intersection inters; double t2 = time * time * 0.5; double tx = pos.x + time * vel.x; if (acc.x != 0.0) { tx = tx + t2 * acc.x; } double ty = pos.y + time * vel.y; if (acc.y != 0.0) { ty = ty + t2 * acc.y; } double tz = pos.z + time * vel.z; if (acc.z != 0.0) { tz = tz + t2 * acc.z; } inters.v = coords_set(tx, ty, tz); Coords tvel = coords_set(vel.x + time * acc.x, vel.y + time * acc.y, vel.z + time * acc.z); inters.time = time; inters.normal = pol.normal; inters.index = indPoly; int res=off_pnpoly(pol,inters.v); if (res != 0) { inters.edge=(res==-1); MCNUM ndir = scalar_prod(pol.normal.x,pol.normal.y,pol.normal.z,tvel.x,tvel.y,tvel.z); if (ndir<0) { inters.in_out=1; //the negative dot product means we enter the surface } else { inters.in_out=-1; } #ifdef OFF_LEGACY t[t_size++]=inters; #else /* Check against our 4 existing times, starting from [-FLT_MAX, FLT_MAX, FLT_MAX, FLT_MAX] */ /* Case 1, negative time? */ if (t_size < 4) t_size++; if (inters.time < 0) { if (inters.time > t[0].time) { t[0]=inters; } } else { /* Case 2, positive time */ intersection xtmp; if (inters.time < t[3].time) { t[3]=inters; if (t[3].time < t[2].time) { xtmp = t[2]; t[2] = t[3]; t[3] = xtmp; } if (t[2].time < t[1].time) { xtmp = t[1]; t[1] = t[2]; t[2] = xtmp; } } } #endif } } } i += pol.npol; indPoly++; } /* while itime - pb->time); } /* off_compare */ // off_cleanDouble ************************************************************* //given an array of intersections throw those which appear several times //returns 1 if there is a possibility of error #pragma acc routine int off_cleanDouble(intersection* t, int* t_size) { int i=1; intersection prev=t[0]; while (i<*t_size) { int j=i; //for each intersection with the same time while (j<*t_size && fabs(prev.time-t[j].time)maxx) maxx=vtxArray[i].x; if (vtxArray[i].ymaxy) maxy=vtxArray[i].y; if (vtxArray[i].zmaxz) maxz=vtxArray[i].z; i++; // inquire next vertex } // resizing and repositioning params double centerx=0, centery=0, centerz=0; if (!notcenter) { centerx=(minx+maxx)*0.5; centery=(miny+maxy)*0.5; centerz=(minz+maxz)*0.5; } double rangex=-minx+maxx, rangey=-miny+maxy, rangez=-minz+maxz; double ratiox=1,ratioy=1,ratioz=1; if (xwidth && rangex) { ratiox=xwidth/rangex; ratioy=ratiox; ratioz=ratiox; } if (yheight && rangey) { ratioy=yheight/rangey; if(!xwidth) ratiox=ratioy; ratioz=ratioy; } if (zdepth && rangez) { ratioz=zdepth/rangez; if(!xwidth) ratiox=ratioz; if(!yheight) ratioy=ratioz; } rangex *= ratiox; rangey *= ratioy; rangez *= ratioz; //center and resize the object for (i=0; i polySize*10) { fprintf(stderr, "Error: %li exceeded allocated polygon array[%li] in file %s (interoff/off_init)\n", faceSize, polySize*10, offfile); } faceArray[faceSize++] = nbVertex; // length of the polygon/face // then read the vertex ID's for (j=0; jvtxArray = vtxArray; data->normalArray= normalArray; data->DArray = DArray; data->faceArray = faceArray; data->vtxSize = vtxSize; data->polySize = polySize; data->faceSize = faceSize; data->filename = offfile; #ifdef OPENACC acc_attach((void *)&vtxArray); acc_attach((void *)&normalArray); acc_attach((void *)&faceArray); #endif return(polySize); } /* off_init */ #pragma acc routine int Min_int(int x, int y) { return (xintersects, pos, vel, acc, data->vtxArray, data->vtxSize, data->faceArray, data->faceSize, data->normalArray, data->DArray ); } else { /////////////////////////////////// // non-grav Coords A={x, y, z}; Coords B={x+vx, y+vy, z+vz}; t_size=off_clip_3D_mod(data->intersects, A, B, data->vtxArray, data->vtxSize, data->faceArray, data->faceSize, data->normalArray ); } #ifndef OPENACC qsort(data->intersects, t_size, sizeof(intersection), off_compare); #else #ifdef USE_OFF gpusort(data->intersects, t_size); #endif #endif off_cleanDouble(data->intersects, &t_size); off_cleanInOut(data->intersects, &t_size); /*find intersections "closest" to 0 (favouring positive ones)*/ if(t_size>0){ int i=0; if(t_size>1) { for (i=1; i < t_size-1; i++){ if (data->intersects[i-1].time > 0 && data->intersects[i].time > 0) break; } data->nextintersect=i-1; data->numintersect=t_size; if (t0) *t0 = data->intersects[i-1].time; if (n0) *n0 = data->intersects[i-1].normal; if (t3) *t3 = data->intersects[i].time; if (n3) *n3 = data->intersects[i].normal; } else { if (t0) *t0 = data->intersects[0].time; if (n0) *n0 = data->intersects[0].normal; } /* should also return t[0].index and t[i].index as polygon ID */ data->nextintersect=(data->intersects[data->nextintersect]).index; return t_size; } #else intersection intersect4[4]; intersect4[0].time=-FLT_MAX; intersect4[1].time=FLT_MAX; intersect4[2].time=FLT_MAX; intersect4[3].time=FLT_MAX; if(mcgravitation) { Coords pos={ x, y, z}; Coords vel={vx, vy, vz}; Coords acc={ax, ay, az}; t_size=off_clip_3D_mod_grav(intersect4, pos, vel, acc, data->vtxArray, data->vtxSize, data->faceArray, data->faceSize, data->normalArray, data->DArray); } else { /////////////////////////////////// // non-grav Coords A={x, y, z}; Coords B={x+vx, y+vy, z+vz}; t_size=off_clip_3D_mod(intersect4, A, B, data->vtxArray, data->vtxSize, data->faceArray, data->faceSize, data->normalArray ); } if(t_size>0){ int i=0; if (intersect4[0].time == -FLT_MAX) i=1; data->numintersect=t_size; if (t0) *t0 = intersect4[i].time; if (n0) *n0 = intersect4[i].normal; if (t3) *t3 = intersect4[i+1].time; if (n3) *n3 = intersect4[i+1].normal; if (intersect4[1].time == FLT_MAX) { if (t3) *t3 = 0.0; } /* should also return t[0].index and t[i].index as polygon ID */ data->nextintersect=(int)intersect4[i].index; return t_size; } #endif return 0; } /* off_intersect */ /******************************************************************************* * int off_intersect(double* t0, double* t3, Coords *n0, Coords *n3, double x, double y, double z, double vx, double vy, double vz, off_struct data ) * ACTION: computes intersection of neutron trajectory with an object. * INPUT: x,y,z and vx,vy,vz are the position and velocity of the neutron * data points to the OFF data structure * RETURN: the number of polyhedral which trajectory intersects * t0 and t3 are the smallest incoming and outgoing intersection times * n0 and n3 are the corresponding normal vectors to the surface *******************************************************************************/ int off_intersect(double* t0, double* t3, Coords *n0, Coords *n3, double x, double y, double z, double vx, double vy, double vz, double ax, double ay, double az, off_struct data ) { return off_intersect_all(t0, t3, n0, n3, x, y, z, vx, vy, vz, ax, ay, az, &data ); } /* off_intersect */ /***************************************************************************** * int off_x_intersect(double* l0, double* l3, Coords *n0, Coords *n3, double x, double y, double z, double kx, double ky, double kz, off_struct data ) * ACTION: computes intersection of an xray trajectory with an object. * INPUT: x,y,z and kx,ky,kz, are spatial coordinates and wavevector of the x-ray * respectively. data points to the OFF data structure. * RETURN: the number of polyhedral the trajectory intersects * l0 and l3 are the smallest incoming and outgoing intersection lengths * n0 and n3 are the corresponding normal vectors to the surface *******************************************************************************/ int off_x_intersect(double *l0,double *l3, Coords *n0, Coords *n3, double x, double y, double z, double kx, double ky, double kz, off_struct data ) { /*This function simply reformats and calls off_intersect (as for neutrons) *by normalizing the wavevector - this will yield the intersection lengths *in m*/ double jx,jy,jz,invk; int n; invk=1/sqrt(scalar_prod(kx,ky,kz,kx,ky,kz)); jx=kx*invk;jy=ky*invk;jz=kz*invk; n=off_intersect(l0,l3,n0,n3,x,y,z,jx,jy,jz,0.0,0.0,0.0,data); return n; } /******************************************************************************* * void off_display(off_struct data) * ACTION: display up to N_VERTEX_DISPLAYED polygons from the object *******************************************************************************/ void off_display(off_struct data) { if(mcdotrace==2){ // Estimate size of the JSON string const int VERTEX_OVERHEAD = 30; const int FACE_OVERHEAD_BASE = 20; const int FACE_INDEX_OVERHEAD = 15; int estimated_size = 256; // Base size estimated_size += data.vtxSize * VERTEX_OVERHEAD; for (int i = 0; i < data.faceSize;) { int num_indices = data.faceArray[i]; estimated_size += FACE_OVERHEAD_BASE + num_indices * FACE_INDEX_OVERHEAD; i += num_indices + 1; } char *json_string = malloc(estimated_size); if (json_string == NULL) { fprintf(stderr, "Memory allocation failed.\n"); return; } char *ptr = json_string; ptr += sprintf(ptr, "{ \"vertices\": ["); for (int i = 0; i < data.vtxSize; i++) { ptr += sprintf(ptr, "[%g, %g, %g]", data.vtxArray[i].x, data.vtxArray[i].y, data.vtxArray[i].z); if (i < data.vtxSize - 1) { ptr += sprintf(ptr, ", "); } } ptr += sprintf(ptr, "], \"faces\": ["); for (int i = 0; i < data.faceSize;) { int num = data.faceArray[i]; ptr += sprintf(ptr, "{ \"face\": ["); for (int j = 1; j <= num; j++) { ptr += sprintf(ptr, "%lu", data.faceArray[i + j]); if (j < num) { ptr += sprintf(ptr, ", "); } } ptr += sprintf(ptr, "]}"); i += num + 1; if(i 1 || drawthis) { mcdis_line(x1,y1,z1,x2,y2,z2); } x1 = x2; y1 = y2; z1 = z2; } if (ratio > 1 || drawthis) { mcdis_line(x1,y1,z1,x0,y0,z0); } if (data.mantidflag) { printf("MANTID_PIXEL: %s\n", pixelinfo); pixel++; } i += nbVertex; } } } /* off_display */ /* end of interoff-lib.c */ #endif // INTEROFF_LIB_C #ifndef SINGLE_CRYSTAL_PROCESS_DECL #define SINGLE_CRYSTAL_PROCESS_DECL #ifndef Mosaic_AB_Undefined #define Mosaic_AB_Undefined {0,0, 0,0,0, 0,0,0} #endif struct hkl_data_union { int h, k, l; /* Indices for this reflection */ double F2; /* Value of structure factor */ double tau_x, tau_y, tau_z; /* Coordinates in reciprocal space */ double tau; /* Length of (tau_x, tau_y, tau_z) */ double u1x, u1y, u1z; /* First axis of local coordinate system */ double u2x, u2y, u2z; /* Second axis of local coordinate system */ double u3x, u3y, u3z; /* Third axis of local coordinate system */ double sig123; /* The product sig1*sig2*sig3 = volume of spot */ double m1, m2, m3; /* Diagonal matrix representation of Gauss */ double cutoff; /* Cutoff value for Gaussian tails */ }; struct tau_data_union { int index; /* Index into reflection table */ double refl; double xsect; /* The following vectors are in local koordinates. */ double rho_x, rho_y, rho_z; /* The vector ki - tau */ double rho; /* Length of rho vector */ double ox, oy, oz; /* Origin of Ewald sphere tangent plane */ double b1x, b1y, b1z; /* Spanning vectors of Ewald sphere tangent */ double b2x, b2y, b2z; double l11, l12, l22; /* Cholesky decomposition L of 2D Gauss */ double y0x, y0y; /* 2D Gauss center in tangent plane */ }; struct hkl_info_struct_union { struct hkl_data_union* list; /* Reflection array */ int count; /* Number of reflections */ struct tau_data_union* tau_list; /* Reflections close to Ewald Sphere */ double m_delta_d_d; /* Delta-d/d FWHM */ double m_ax, m_ay, m_az; /* First unit cell axis (direct space, AA) */ double m_bx, m_by, m_bz; /* Second unit cell axis */ double m_cx, m_cy, m_cz; /* Third unit cell axis */ double asx, asy, asz; /* First reciprocal lattice axis (1/AA) */ double bsx, bsy, bsz; /* Second reciprocal lattice axis */ double csx, csy, csz; /* Third reciprocal lattice axis */ double m_a, m_b, m_c; /* length of lattice parameter lengths */ double m_aa, m_bb, m_cc; /* lattice angles */ double sigma_a, sigma_i; /* abs and inc X sect */ double rho; /* density */ double at_weight; /* atomic weight */ double at_nb; /* nb of atoms in a cell */ double V0; /* Unit cell volume (AA**3) */ int column_order[5]; /* column signification [h,k,l,F,F2] */ int recip; /* Flag to indicate if recip or direct cell axes given */ int shape; /* 0:cylinder, 1:box, 2:sphere 3:any shape*/ int flag_warning; /* number of warnings */ char type; /* type of last event: t=transmit,c=coherent or i=incoherent */ int h, k, l; /* last coherent scattering momentum transfer indices */ int tau_count; /* Number of reflections within cutoff */ double coh_refl, coh_xsect; /* cross section computed with last tau_list */ double kix, kiy, kiz; /* last incoming neutron ki */ int nb_reuses, nb_refl, nb_refl_count; }; int SX_list_compare_union (void const* a, void const* b) { struct hkl_data_union const* pa = a; struct hkl_data_union const* pb = b; /* Sort by tau */ if (pa->tau < pb->tau) return -1; if (pa->tau > pb->tau) return 1; /* Sort by tau_x */ if (pa->tau_x < pb->tau_x) return -1; if (pa->tau_x > pb->tau_x) return 1; /* Sort by tau_y */ if (pa->tau_y < pb->tau_y) return -1; if (pa->tau_y > pb->tau_y) return 1; /* Sort by tau_z */ if (pa->tau_z < pb->tau_z) return -1; if (pa->tau_z > pb->tau_z) return 1; /* In case of tie, sort by F2 also */ if (pa->F2 < pb->F2) return -1; if (pa->F2 > pb->F2) return 1; return 0; } /* SX_list_compare */ /* ------------------------------------------------------------------------ */ int read_hkl_data_union (char* SC_file, struct hkl_info_struct_union* info, double SC_mosaic, double SC_mosaic_a, double SC_mosaic_b, double SC_mosaic_c, double* SC_mosaic_AB) { struct hkl_data_union* list = NULL; int size = 0; t_Table sTable; /* sample data table structure from SC_file */ int i = 0; double tmp_x, tmp_y, tmp_z; char** parsing; char flag = 0; double nb_atoms = 1; if (!SC_file || !strlen (SC_file) || !strcmp (SC_file, "NULL") || !strcmp (SC_file, "0")) { info->count = 0; flag = 1; } if (!flag) { Table_Read (&sTable, SC_file, 1); /* read 1st block data from SC_file into sTable*/ if (sTable.columns < 4) { fprintf (stderr, "Single_crystal: Error: The number of columns in %s should be at least %d for [h,k,l,F2]\n", SC_file, 4); return (0); } if (!sTable.rows) { fprintf (stderr, "Single_crystal: Error: The number of rows in %s should be at least %d\n", SC_file, 1); return (0); } else size = sTable.rows; /* parsing of header */ parsing = Table_ParseHeader (sTable.header, "sigma_abs", "sigma_a ", "sigma_inc", "sigma_i ", "column_h", "column_k", "column_l", "column_F ", "column_F2", "Delta_d/d", "lattice_a ", "lattice_b ", "lattice_c ", "lattice_aa", "lattice_bb", "lattice_cc", "nb_atoms", "multiplicity", NULL); if (parsing) { if (parsing[0] && !info->sigma_a) info->sigma_a = atof (parsing[0]); if (parsing[1] && !info->sigma_a) info->sigma_a = atof (parsing[1]); if (parsing[2] && !info->sigma_i) info->sigma_i = atof (parsing[2]); if (parsing[3] && !info->sigma_i) info->sigma_i = atof (parsing[3]); if (parsing[4]) info->column_order[0] = atoi (parsing[4]); if (parsing[5]) info->column_order[1] = atoi (parsing[5]); if (parsing[6]) info->column_order[2] = atoi (parsing[6]); if (parsing[7]) info->column_order[3] = atoi (parsing[7]); if (parsing[8]) info->column_order[4] = atoi (parsing[8]); if (parsing[9] && info->m_delta_d_d < 0) info->m_delta_d_d = atof (parsing[9]); if (parsing[10] && !info->m_a) info->m_a = atof (parsing[10]); if (parsing[11] && !info->m_b) info->m_b = atof (parsing[11]); if (parsing[12] && !info->m_c) info->m_c = atof (parsing[12]); if (parsing[13] && !info->m_aa) info->m_aa = atof (parsing[13]); if (parsing[14] && !info->m_bb) info->m_bb = atof (parsing[14]); if (parsing[15] && !info->m_cc) info->m_cc = atof (parsing[15]); if (parsing[16]) nb_atoms = atof (parsing[16]); if (parsing[17]) nb_atoms = atof (parsing[17]); for (i = 0; i <= 17; i++) if (parsing[i]) free (parsing[i]); free (parsing); } } if (nb_atoms > 1) { info->sigma_a *= nb_atoms; info->sigma_i *= nb_atoms; } /* special cases for the structure definition */ if (info->m_ax || info->m_ay || info->m_az) info->m_a = 0; /* means we specify by hand the vectors */ if (info->m_bx || info->m_by || info->m_bz) info->m_b = 0; if (info->m_cx || info->m_cy || info->m_cz) info->m_c = 0; /* compute the norm from vector a if missing */ if (info->m_ax || info->m_ay || info->m_az) { double as = sqrt (info->m_ax * info->m_ax + info->m_ay * info->m_ay + info->m_az * info->m_az); if (!info->m_bx && !info->m_by && !info->m_bz) info->m_a = info->m_b = as; if (!info->m_cx && !info->m_cy && !info->m_cz) info->m_a = info->m_c = as; } if (info->m_a && !info->m_b) info->m_b = info->m_a; if (info->m_b && !info->m_c) info->m_c = info->m_b; /* compute the lattive angles if not set from data file. Not used when in vector mode. */ if (info->m_a && !info->m_aa) info->m_aa = 90; if (info->m_aa && !info->m_bb) info->m_bb = info->m_aa; if (info->m_bb && !info->m_cc) info->m_cc = info->m_bb; /* parameters consistency checks */ if (!info->m_ax && !info->m_ay && !info->m_az && !info->m_a) { fprintf (stderr, "Single_crystal: Error: Wrong a lattice vector definition\n"); return (0); } if (!info->m_bx && !info->m_by && !info->m_bz && !info->m_b) { fprintf (stderr, "Single_crystal: Error: Wrong b lattice vector definition\n"); return (0); } if (!info->m_cx && !info->m_cy && !info->m_cz && !info->m_c) { fprintf (stderr, "Single_crystal: Error: Wrong c lattice vector definition\n"); return (0); } if (info->m_aa && info->m_bb && info->m_cc && info->recip) { fprintf (stderr, "Single_crystal: Error: Selecting reciprocal cell and angles is unmeaningful\n"); return (0); } /* when lengths a,b,c + angles are given (instead of vectors a,b,c) */ if (info->m_aa && info->m_bb && info->m_cc) { double as, bs, cs; if (info->m_a) as = info->m_a; else as = sqrt (info->m_ax * info->m_ax + info->m_ay * info->m_ay + info->m_az * info->m_az); if (info->m_b) bs = info->m_b; else bs = sqrt (info->m_bx * info->m_bx + info->m_by * info->m_by + info->m_bz * info->m_bz); if (info->m_c) cs = info->m_c; else cs = sqrt (info->m_cx * info->m_cx + info->m_cy * info->m_cy + info->m_cz * info->m_cz); info->m_bz = as; info->m_by = 0; info->m_bx = 0; info->m_az = bs * cos (info->m_cc * DEG2RAD); info->m_ay = bs * sin (info->m_cc * DEG2RAD); info->m_ax = 0; info->m_cz = cs * cos (info->m_bb * DEG2RAD); info->m_cy = cs * (cos (info->m_aa * DEG2RAD) - cos (info->m_cc * DEG2RAD) * cos (info->m_bb * DEG2RAD)) / sin (info->m_cc * DEG2RAD); info->m_cx = sqrt (cs * cs - info->m_cz * info->m_cz - info->m_cy * info->m_cy); printf ("Single_crystal: %s structure a=%g b=%g c=%g aa=%g bb=%g cc=%g ", (flag ? "INC" : SC_file), as, bs, cs, info->m_aa, info->m_bb, info->m_cc); } else { if (!info->recip) { printf ("Single_crystal: %s structure a=[%g,%g,%g] b=[%g,%g,%g] c=[%g,%g,%g] ", (flag ? "INC" : SC_file), info->m_ax, info->m_ay, info->m_az, info->m_bx, info->m_by, info->m_bz, info->m_cx, info->m_cy, info->m_cz); } else { printf ("Single_crystal: %s structure a*=[%g,%g,%g] b*=[%g,%g,%g] c*=[%g,%g,%g] ", (flag ? "INC" : SC_file), info->m_ax, info->m_ay, info->m_az, info->m_bx, info->m_by, info->m_bz, info->m_cx, info->m_cy, info->m_cz); } } /* Compute reciprocal or direct lattice vectors. */ if (!info->recip) { vec_prod (tmp_x, tmp_y, tmp_z, info->m_bx, info->m_by, info->m_bz, info->m_cx, info->m_cy, info->m_cz); info->V0 = fabs (scalar_prod (info->m_ax, info->m_ay, info->m_az, tmp_x, tmp_y, tmp_z)); printf ("V0=%g\n", info->V0); info->asx = 2 * PI / info->V0 * tmp_x; info->asy = 2 * PI / info->V0 * tmp_y; info->asz = 2 * PI / info->V0 * tmp_z; vec_prod (tmp_x, tmp_y, tmp_z, info->m_cx, info->m_cy, info->m_cz, info->m_ax, info->m_ay, info->m_az); info->bsx = 2 * PI / info->V0 * tmp_x; info->bsy = 2 * PI / info->V0 * tmp_y; info->bsz = 2 * PI / info->V0 * tmp_z; vec_prod (tmp_x, tmp_y, tmp_z, info->m_ax, info->m_ay, info->m_az, info->m_bx, info->m_by, info->m_bz); info->csx = 2 * PI / info->V0 * tmp_x; info->csy = 2 * PI / info->V0 * tmp_y; info->csz = 2 * PI / info->V0 * tmp_z; } else { info->asx = info->m_ax; info->asy = info->m_ay; info->asz = info->m_az; info->bsx = info->m_bx; info->bsy = info->m_by; info->bsz = info->m_bz; info->csx = info->m_cx; info->csy = info->m_cy; info->csz = info->m_cz; vec_prod (tmp_x, tmp_y, tmp_z, info->bsx / (2 * PI), info->bsy / (2 * PI), info->bsz / (2 * PI), info->csx / (2 * PI), info->csy / (2 * PI), info->csz / (2 * PI)); info->V0 = 1 / fabs (scalar_prod (info->asx / (2 * PI), info->asy / (2 * PI), info->asz / (2 * PI), tmp_x, tmp_y, tmp_z)); printf ("V0=%g\n", info->V0); /*compute the direct cell parameters, ofr completeness*/ info->m_ax = tmp_x * info->V0; info->m_ay = tmp_y * info->V0; info->m_az = tmp_z * info->V0; vec_prod (tmp_x, tmp_y, tmp_z, info->csx / (2 * PI), info->csy / (2 * PI), info->csz / (2 * PI), info->asx / (2 * PI), info->asy / (2 * PI), info->asz / (2 * PI)); info->m_bx = tmp_x * info->V0; info->m_by = tmp_y * info->V0; info->m_bz = tmp_z * info->V0; vec_prod (tmp_x, tmp_y, tmp_z, info->asx / (2 * PI), info->asy / (2 * PI), info->asz / (2 * PI), info->bsx / (2 * PI), info->bsy / (2 * PI), info->bsz / (2 * PI)); info->m_cx = tmp_x * info->V0; info->m_cy = tmp_y * info->V0; info->m_cz = tmp_z * info->V0; } if (flag) return (-1); if (!info->column_order[0] || !info->column_order[1] || !info->column_order[2]) { fprintf (stderr, "Single_crystal: Error: Wrong h,k,l column definition\n"); return (0); } if (!info->column_order[3] && !info->column_order[4]) { fprintf (stderr, "Single_crystal: Error: Wrong F,F2 column definition\n"); return (0); } /* allocate hkl_data array */ list = (struct hkl_data_union*)malloc (size * sizeof (struct hkl_data_union)); for (i = 0; i < size; i++) { double h = 0, k = 0, l = 0, F2 = 0; double b1[3], b2[3]; double sig1, sig2, sig3; /* get data from table */ h = Table_Index (sTable, i, info->column_order[0] - 1); k = Table_Index (sTable, i, info->column_order[1] - 1); l = Table_Index (sTable, i, info->column_order[2] - 1); if (info->column_order[3]) { F2 = Table_Index (sTable, i, info->column_order[3] - 1); F2 *= F2; } else if (info->column_order[4]) F2 = Table_Index (sTable, i, info->column_order[4] - 1); list[i].h = h; list[i].k = k; list[i].l = l; list[i].F2 = F2; /* Precompute some values */ list[i].tau_x = h * info->asx + k * info->bsx + l * info->csx; list[i].tau_y = h * info->asy + k * info->bsy + l * info->csy; list[i].tau_z = h * info->asz + k * info->bsz + l * info->csz; list[i].tau = sqrt (list[i].tau_x * list[i].tau_x + list[i].tau_y * list[i].tau_y + list[i].tau_z * list[i].tau_z); list[i].u1x = list[i].tau_x / list[i].tau; list[i].u1y = list[i].tau_y / list[i].tau; list[i].u1z = list[i].tau_z / list[i].tau; sig1 = FWHM2RMS * info->m_delta_d_d * list[i].tau; /* Find two arbitrary axes perpendicular to tau and each other. */ normal_vec (&b1[0], &b1[1], &b1[2], list[i].u1x, list[i].u1y, list[i].u1z); vec_prod (b2[0], b2[1], b2[2], list[i].u1x, list[i].u1y, list[i].u1z, b1[0], b1[1], b1[2]); /* Find the two mosaic axes perpendicular to tau. */ if (SC_mosaic > 0) { /* Use isotropic mosaic. */ list[i].u2x = b1[0]; list[i].u2y = b1[1]; list[i].u2z = b1[2]; sig2 = FWHM2RMS * list[i].tau * MIN2RAD * SC_mosaic; list[i].u3x = b2[0]; list[i].u3y = b2[1]; list[i].u3z = b2[2]; sig3 = FWHM2RMS * list[i].tau * MIN2RAD * SC_mosaic; } else if (SC_mosaic_a > 0 && SC_mosaic_b > 0 && SC_mosaic_c > 0) { /* Use anisotropic mosaic. */ fprintf (stderr, "Single_crystal: Warning: you are using an experimental feature:\n" " anistropic mosaicity. Please examine your data carefully.\n"); /* compute the jacobian of (tau_v,tau_n) from rotations around the unit cell vectors. */ struct hkl_data_union* l = &(list[i]); double xia_x, xia_y, xia_z, xib_x, xib_y, xib_z, xic_x, xic_y, xic_z; /*input parameters are in arc minutes*/ double sig_fi_a = SC_mosaic_a * MIN2RAD; double sig_fi_b = SC_mosaic_b * MIN2RAD; double sig_fi_c = SC_mosaic_c * MIN2RAD; if (info->m_a == 0) info->m_a = sqrt (scalar_prod (info->m_ax, info->m_ay, info->m_az, info->m_ax, info->m_ay, info->m_az)); if (info->m_b == 0) info->m_b = sqrt (scalar_prod (info->m_bx, info->m_by, info->m_bz, info->m_bx, info->m_by, info->m_bz)); if (info->m_c == 0) info->m_c = sqrt (scalar_prod (info->m_cx, info->m_cy, info->m_cz, info->m_cx, info->m_cy, info->m_cz)); l->u2x = b1[0]; l->u2y = b1[1]; l->u2z = b1[2]; l->u3x = b2[0]; l->u3y = b2[1]; l->u3z = b2[2]; xia_x = l->tau_x - (M_2_PI * h / info->m_a) * info->asx; xia_y = l->tau_y - (M_2_PI * h / info->m_a) * info->asy; xia_z = l->tau_z - (M_2_PI * h / info->m_a) * info->asz; xib_x = l->tau_x - (M_2_PI * h / info->m_b) * info->bsx; xib_y = l->tau_y - (M_2_PI * h / info->m_b) * info->bsy; xib_z = l->tau_z - (M_2_PI * h / info->m_b) * info->bsz; xic_x = l->tau_x - (M_2_PI * h / info->m_c) * info->csx; xic_y = l->tau_y - (M_2_PI * h / info->m_c) * info->csy; xic_z = l->tau_z - (M_2_PI * h / info->m_c) * info->csz; double xia = sqrt (xia_x * xia_x + xia_y * xia_y + xia_z * xia_z); double xib = sqrt (xib_x * xib_x + xib_y * xib_y + xib_z * xib_z); double xic = sqrt (xic_x * xic_x + xic_y * xic_y + xic_z * xic_z); vec_prod (tmp_x, tmp_y, tmp_z, l->tau_x, l->tau_y, l->tau_z, l->u2x, l->u2y, l->u2z); double J_n_fia = xia / info->m_a / l->tau * scalar_prod (info->asx, info->asy, info->asz, tmp_x, tmp_y, tmp_z); vec_prod (tmp_x, tmp_y, tmp_z, l->tau_x, l->tau_y, l->tau_z, l->u2x, l->u2y, l->u2z); double J_n_fib = xib / info->m_b / l->tau * scalar_prod (info->bsx, info->bsy, info->bsz, tmp_x, tmp_y, tmp_z); vec_prod (tmp_x, tmp_y, tmp_z, l->tau_x, l->tau_y, l->tau_z, l->u2x, l->u2y, l->u2z); double J_n_fic = xic / info->m_c / l->tau * scalar_prod (info->csx, info->csy, info->csz, tmp_x, tmp_y, tmp_z); vec_prod (tmp_x, tmp_y, tmp_z, l->tau_x, l->tau_y, l->tau_z, l->u3x, l->u3y, l->u3z); double J_v_fia = xia / info->m_a / l->tau * scalar_prod (info->asx, info->asy, info->asz, tmp_x, tmp_y, tmp_z); vec_prod (tmp_x, tmp_y, tmp_z, l->tau_x, l->tau_y, l->tau_z, l->u3x, l->u3y, l->u3z); double J_v_fib = xib / info->m_b / l->tau * scalar_prod (info->bsx, info->bsy, info->bsz, tmp_x, tmp_y, tmp_z); vec_prod (tmp_x, tmp_y, tmp_z, l->tau_x, l->tau_y, l->tau_z, l->u3x, l->u3y, l->u3z); double J_v_fic = xic / info->m_c / l->tau * scalar_prod (info->csx, info->csy, info->csz, tmp_x, tmp_y, tmp_z); /*with the jacobian we can compute the sigmas in terms of the orthogonal vectors u2 and u3*/ sig2 = sig_fi_a * fabs (J_v_fia) + sig_fi_b * fabs (J_v_fib) + sig_fi_c * fabs (J_v_fic); sig3 = sig_fi_a * fabs (J_n_fia) + sig_fi_b * fabs (J_n_fib) + sig_fi_c * fabs (J_n_fic); } else if (SC_mosaic_AB[0] != 0 && SC_mosaic_AB[1] != 0) { if ((SC_mosaic_AB[2] == 0 && SC_mosaic_AB[3] == 0 && SC_mosaic_AB[4] == 0) || (SC_mosaic_AB[5] == 0 && SC_mosaic_AB[6] == 0 && SC_mosaic_AB[7] == 0)) { fprintf (stderr, "Single_crystal: Error: in-plane mosaics are specified but one (or both)\n" " in-plane reciprocal vector is the zero vector\n"); return (0); } fprintf (stderr, "Single_crystal: Warning: you are using an experimental feature: \n" " \"in-plane\" anistropic mosaicity. Please examine your data carefully.\n"); /*for given reflection in list - compute linear comb of tau_a and tau_b*/ /*check for not in plane - f.i. check if (tau_a X tau_b).tau_i)==0*/ struct hkl_data_union* l = &(list[i]); double det, c1, c2, sig_tau_c; double em_x, em_y, em_z, tmp_x, tmp_y, tmp_z; double tau_a[3], tau_b[3]; /*convert Miller indices to taus*/ if (info->m_a == 0) info->m_a = sqrt (scalar_prod (info->m_ax, info->m_ay, info->m_az, info->m_ax, info->m_ay, info->m_az)); if (info->m_b == 0) info->m_b = sqrt (scalar_prod (info->m_bx, info->m_by, info->m_bz, info->m_bx, info->m_by, info->m_bz)); if (info->m_c == 0) info->m_c = sqrt (scalar_prod (info->m_cx, info->m_cy, info->m_cz, info->m_cx, info->m_cy, info->m_cz)); tau_a[0] = M_2_PI * ((SC_mosaic_AB[2] / info->m_a) * info->asx + (SC_mosaic_AB[3] / info->m_b) * info->bsx + (SC_mosaic_AB[4] / info->m_c) * info->csx); tau_a[1] = M_2_PI * ((SC_mosaic_AB[2] / info->m_a) * info->asy + (SC_mosaic_AB[3] / info->m_b) * info->bsy + (SC_mosaic_AB[4] / info->m_c) * info->csy); tau_a[2] = M_2_PI * ((SC_mosaic_AB[2] / info->m_a) * info->asz + (SC_mosaic_AB[3] / info->m_b) * info->bsz + (SC_mosaic_AB[4] / info->m_c) * info->csz); tau_b[0] = M_2_PI * ((SC_mosaic_AB[5] / info->m_a) * info->asx + (SC_mosaic_AB[6] / info->m_b) * info->bsx + (SC_mosaic_AB[7] / info->m_c) * info->csx); tau_b[1] = M_2_PI * ((SC_mosaic_AB[5] / info->m_a) * info->asy + (SC_mosaic_AB[6] / info->m_b) * info->bsy + (SC_mosaic_AB[7] / info->m_c) * info->csy); tau_b[2] = M_2_PI * ((SC_mosaic_AB[5] / info->m_a) * info->asz + (SC_mosaic_AB[6] / info->m_b) * info->bsz + (SC_mosaic_AB[7] / info->m_c) * info->csz); /*check determinants to see how we should compute the linear combination of a and b (to match c)*/ if ((det = tau_a[0] * tau_b[1] - tau_a[1] * tau_b[0]) != 0) { c1 = (l->tau_x * tau_b[1] - l->tau_y * tau_b[0]) / det; c2 = (tau_a[0] * l->tau_y - tau_a[1] * l->tau_x) / det; } else if ((det = tau_a[1] * tau_b[2] - tau_a[2] * tau_b[1]) != 0) { c1 = (l->tau_y * tau_b[2] - l->tau_z * tau_b[1]) / det; c2 = (tau_a[1] * l->tau_z - tau_a[2] * l->tau_y) / det; } else if ((det = tau_a[0] * tau_b[2] - tau_a[2] * tau_b[0]) != 0) { c1 = (l->tau_x * tau_b[2] - l->tau_z * tau_b[0]) / det; c2 = (tau_a[0] * l->tau_z - tau_a[2] * l->tau_x) / det; } if ((c1 == 0) && (c2 == 0)) { fprintf (stderr, "Single_crystal: Warning: reflection tau[%i]=(%g %g %g) " "has no component in defined mosaic plane\n", i, l->tau_x, l->tau_y, l->tau_z); } /*compute linear combination => sig_tau_i = | c1*sig_tau_a + c2*sig_tau_b | - also add in the minute to radian scaling factor*/; sig_tau_c = MIN2RAD * sqrt (c1 * SC_mosaic_AB[0] * c1 * SC_mosaic_AB[0] + c2 * SC_mosaic_AB[1] * c2 * SC_mosaic_AB[1]); l->u2x = b1[0]; l->u2y = b1[1]; l->u2z = b1[2]; l->u3x = b2[0]; l->u3y = b2[1]; l->u3z = b2[2]; /*so now let's compute the rotation around planenormal tau_a X tau_b*/ /*g_bar (unit normal of rotation plane) = tau_a X tau_b / norm(tau_a X tau_b)*/ vec_prod (tmp_x, tmp_y, tmp_z, tau_a[0], tau_a[1], tau_a[2], tau_b[0], tau_b[1], tau_b[2]); vec_prod (em_x, em_y, em_z, l->tau_x, l->tau_y, l->tau_z, tmp_x, tmp_y, tmp_z); NORM (em_x, em_y, em_z); sig2 = l->tau * sig_tau_c * fabs (scalar_prod (em_x, em_y, em_z, l->u2x, l->u2y, l->u2z)); sig3 = l->tau * sig_tau_c * fabs (scalar_prod (em_x, em_y, em_z, l->u3x, l->u3y, l->u3z)); /*protect against collapsing gaussians. These seem to be sensible values.*/ if (sig2 < 1e-5) sig2 = 1e-5; if (sig3 < 1e-5) sig3 = 1e-5; } else { fprintf (stderr, "Single_crystal: Error: EITHER mosaic OR (mosaic_a, mosaic_b, mosaic_c)\n" " must be given and be >0.\n"); return (0); } list[i].sig123 = sig1 * sig2 * sig3; list[i].m1 = 1 / (2 * sig1 * sig1); list[i].m2 = 1 / (2 * sig2 * sig2); list[i].m3 = 1 / (2 * sig3 * sig3); /* Set Gauss cutoff to 5 times the maximal sigma. */ if (sig1 > sig2) if (sig1 > sig3) list[i].cutoff = 5 * sig1; else list[i].cutoff = 5 * sig3; else if (sig2 > sig3) list[i].cutoff = 5 * sig2; else list[i].cutoff = 5 * sig3; } Table_Free (&sTable); /* sort the list with increasing tau */ qsort (list, i, sizeof (struct hkl_data_union), SX_list_compare_union); info->list = list; info->count = i; info->tau_list = malloc (i * sizeof (*info->tau_list)); if (!info->tau_list) { fprintf (stderr, "Single_crystal: Error: Out of memory!\n"); return (0); } return (info->count); } /* read_hkl_data */ /* ------------------------------------------------------------------------ */ /* hkl_search search the HKL reflections which are on the Ewald sphere input: L,T,count,V0: constants for all calls kix,kiy,kiz: may be different for each call this function returns: tau_count (return), coh_refl, coh_xsect, T (updated elements in the array up to [j]) */ int hkl_search_union (struct hkl_data_union* L, struct tau_data_union* T, int count, double V0, double kix, double kiy, double kiz, double tau_max, double* coh_refl, double* coh_xsect) { double rho, rho_x, rho_y, rho_z; double diff; int i, j; double ox, oy, oz; double b1x, b1y, b1z, b2x, b2y, b2z, kx, ky, kz, nx, ny, nz; double n11, n22, n12, det_N, inv_n11, inv_n22, inv_n12, l11, l22, l12, det_L; double Bt_D_O_x, Bt_D_O_y, y0x, y0y, alpha; double ki = sqrt (kix * kix + kiy * kiy + kiz * kiz); /* Common factor in coherent cross-section */ double xsect_factor = pow (2 * PI, 5.0 / 2.0) / (V0 * ki * ki); for (i = j = 0; i < count; i++) { /* Assuming reflections are sorted, stop search when max tau exceeded. */ if (L[i].tau > tau_max) break; /* Check if this reciprocal lattice point is close enough to the Ewald sphere to make scattering possible. */ rho_x = kix - L[i].tau_x; rho_y = kiy - L[i].tau_y; rho_z = kiz - L[i].tau_z; rho = sqrt (rho_x * rho_x + rho_y * rho_y + rho_z * rho_z); diff = fabs (rho - ki); /* Check if scattering is possible (cutoff of Gaussian tails). */ if (diff <= L[i].cutoff) { /* Store reflection. */ T[j].index = i; /* Get ki vector in local coordinates. */ kx = kix * L[i].u1x + kiy * L[i].u1y + kiz * L[i].u1z; ky = kix * L[i].u2x + kiy * L[i].u2y + kiz * L[i].u2z; kz = kix * L[i].u3x + kiy * L[i].u3y + kiz * L[i].u3z; T[j].rho_x = kx - L[i].tau; T[j].rho_y = ky; T[j].rho_z = kz; T[j].rho = rho; /* Compute the tangent plane of the Ewald sphere. */ nx = T[j].rho_x / T[j].rho; ny = T[j].rho_y / T[j].rho; nz = T[j].rho_z / T[j].rho; ox = (ki - T[j].rho) * nx; oy = (ki - T[j].rho) * ny; oz = (ki - T[j].rho) * nz; T[j].ox = ox; T[j].oy = oy; T[j].oz = oz; /* Compute unit vectors b1 and b2 that span the tangent plane. */ normal_vec (&b1x, &b1y, &b1z, nx, ny, nz); vec_prod (b2x, b2y, b2z, nx, ny, nz, b1x, b1y, b1z); T[j].b1x = b1x; T[j].b1y = b1y; T[j].b1z = b1z; T[j].b2x = b2x; T[j].b2y = b2y; T[j].b2z = b2z; /* Compute the 2D projection of the 3D Gauss of the reflection. */ /* The symmetric 2x2 matrix N describing the 2D gauss. */ n11 = L[i].m1 * b1x * b1x + L[i].m2 * b1y * b1y + L[i].m3 * b1z * b1z; n12 = L[i].m1 * b1x * b2x + L[i].m2 * b1y * b2y + L[i].m3 * b1z * b2z; n22 = L[i].m1 * b2x * b2x + L[i].m2 * b2y * b2y + L[i].m3 * b2z * b2z; /* The (symmetric) inverse matrix of N. */ det_N = n11 * n22 - n12 * n12; inv_n11 = n22 / det_N; inv_n12 = -n12 / det_N; inv_n22 = n11 / det_N; /* The Cholesky decomposition of 1/2*inv_n (lower triangular L). */ l11 = sqrt (inv_n11 / 2); l12 = inv_n12 / (2 * l11); l22 = sqrt (inv_n22 / 2 - l12 * l12); T[j].l11 = l11; T[j].l12 = l12; T[j].l22 = l22; det_L = l11 * l22; /* The product B^T D o. */ Bt_D_O_x = b1x * L[i].m1 * ox + b1y * L[i].m2 * oy + b1z * L[i].m3 * oz; Bt_D_O_y = b2x * L[i].m1 * ox + b2y * L[i].m2 * oy + b2z * L[i].m3 * oz; /* Center of 2D Gauss in plane coordinates. */ y0x = -(Bt_D_O_x * inv_n11 + Bt_D_O_y * inv_n12); y0y = -(Bt_D_O_x * inv_n12 + Bt_D_O_y * inv_n22); T[j].y0x = y0x; T[j].y0y = y0y; /* Factor alpha for the distance of the 2D Gauss from the origin. */ alpha = L[i].m1 * ox * ox + L[i].m2 * oy * oy + L[i].m3 * oz * oz - (y0x * y0x * n11 + y0y * y0y * n22 + 2 * y0x * y0y * n12); T[j].refl = xsect_factor * det_L * exp (-alpha) / L[i].sig123; /* intensity of that Bragg */ *coh_refl += T[j].refl; /* total scatterable intensity */ T[j].xsect = T[j].refl * L[i].F2; *coh_xsect += T[j].xsect; j++; } } /* end for */ return (j); // this is 'tau_count', i.e. number of reachable reflections } /* end hkl_search */ int hkl_select_union (struct tau_data_union* T, int tau_count, double coh_refl, double* sum, _class_particle* _particle) { int j; double r = rand0max (coh_refl); *sum = 0; for (j = 0; j < tau_count; j++) { *sum += T[j].refl; if (*sum > r) break; } return j; } /* Functions for "reorientation", powder and PG modes */ /* Powder, forward */ void randrotate_union (double* nx, double* ny, double* nz, double a, double b, double c) { double x1, y1, z1, x2, y2, z2; rotate (x1, y1, z1, *nx, *ny, *nz, a, 1, 0, 0); /* <1> = rot(,a) */ rotate (x2, y2, z2, x1, y1, z1, b, 0, 1, 0); /* <2> = rot(<1>,b) */ rotate (*nx, *ny, *nz, x2, y2, z2, c, 0, 0, 1); /* = rot(<2>,c) */ } /* Powder, back */ void randderotate_union (double* nx, double* ny, double* nz, double a, double b, double c) { double x1, y1, z1, x2, y2, z2; rotate (x1, y1, z1, *nx, *ny, *nz, -c, 0, 0, 1); rotate (x2, y2, z2, x1, y1, z1, -b, 0, 1, 0); rotate (*nx, *ny, *nz, x2, y2, z2, -a, 1, 0, 0); } /* PG, forward */ void PGrotate_union (double* nx, double* ny, double* nz, double a, double csx, double csy, double csz) { /* Currently assumes c-axis along 'x', ought to be generalized... */ double nvx, nvy, nvz; rotate (nvx, nvy, nvz, *nx, *ny, *nz, a, csx, csy, csz); *nx = nvx; *ny = nvy; *nz = nvz; } /* PG, back */ void PGderotate_union (double* nx, double* ny, double* nz, double a, double csx, double csy, double csz) { /* Currently assumes c-axis along 'x', ought to be generalized... */ double nvx, nvy, nvz; rotate (nvx, nvy, nvz, *nx, *ny, *nz, -a, csx, csy, csz); *nx = nvx; *ny = nvy; *nz = nvz; } #endif /* !SINGLE_CRYSTAL_PROCESS_DECL */ // Very important to add a pointer to this struct in the union-lib.c file struct Single_crystal_physics_storage_struct { // Variables that needs to be transfered between any of the following places: // The initialize in this component // The function for calculating my // The function for calculating scattering // Avoid duplicates of output parameters and setting parameters in naming double PG_setting; // 0 if PG mode is diabled, 1 if enabled. Values between apporximates texture? double powder_setting; // 0 if powder mode is disabled, 1 if enabled. Values between approximates texture? double Alpha; // random angle between 0 and 2*Pi*powder double Beta; // random angle between -Pi/2 and Pi/2 double Gamma; // random angle between -Pi and Pi struct hkl_info_struct_union* hkl_info_storage; // struct containing all necessary info for SC double pack; // packing factor double barns_setting; // Sets wether barns of fm^2 is used }; // Function for calculating my, the inverse penetration depth (for only this scattering process). // The input for this function and its order may not be changed, but the names may be updated. int Single_crystal_physics_my (double* my, double* k_initial, union data_transfer_union data_transfer, struct focus_data_struct* focus_data, _class_particle* _particle) { // *k_initial is a pointer to a simple vector with 3 doubles, k[0], k[1], k[2] which describes the wavevector double kix = k_initial[0], kiy = k_initial[1], kiz = k_initial[2]; double ki = sqrt (k_initial[0] * k_initial[0] + k_initial[1] * k_initial[1] + k_initial[2] * k_initial[2]); struct hkl_info_struct_union* hkl_info = data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->hkl_info_storage; // Taken from Single_crystal and changed hkl_info to a pointer. // The split optimization is less useful here than normally if (data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->powder_setting) { // orientation of crystallite is random data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->Alpha = randpm1 () * PI * data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->powder_setting; data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->Beta = randpm1 () * PI / 2; data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->Gamma = randpm1 () * PI; randrotate_union (&kix, &kiy, &kiz, data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->Alpha, data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->Beta, data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->Gamma); } if (data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->PG_setting) { // orientation of crystallite is random data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->Alpha = rand01 () * 2 * PI * data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->PG_setting; PGrotate_union (&kix, &kiy, &kiz, data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->Alpha, hkl_info->csx, hkl_info->csy, hkl_info->csz); } /* in case we use 'SPLIT' then consecutive neutrons can be identical when entering here and we may skip the hkl_search call */ if (fabs (kix - hkl_info->kix) < 1e-6 && fabs (kiy - hkl_info->kiy) < 1e-6 && fabs (kiz - hkl_info->kiz) < 1e-6) { hkl_info->nb_reuses++; } else { /* Max possible tau for this ki with 5*sigma delta-d/d cutoff. */ double tau_max = 2 * ki / (1 - 5 * hkl_info->m_delta_d_d); double coh_xsect = 0, coh_refl = 0; /* call hkl_search */ hkl_info->tau_count = hkl_search_union (hkl_info->list, hkl_info->tau_list, hkl_info->count, hkl_info->V0, kix, kiy, kiz, tau_max, &coh_refl, &coh_xsect); /* CPU consuming */ // This is problematic as there is no way to know if this is the first scattering in this material or not with the current structure. // Need to do one of the following: // remove this optimization // find a way to set event_counter to 0 when a neutron enters a volume with a SC process // pass the number of scatterings in this volume to all my functions // temporary solution: all events are considered the first int event_counter = 0; /* store ki so that we can check for further SPLIT iterations */ if (event_counter == 0) { /* only for incoming neutron */ hkl_info->kix = kix; hkl_info->kiy = kiy; hkl_info->kiz = kiz; } hkl_info->coh_refl = coh_refl; hkl_info->coh_xsect = coh_xsect; hkl_info->nb_refl += hkl_info->tau_count; hkl_info->nb_refl_count++; } /* (3). Probabilities of the different possible interactions. */ // tot_xsect = abs_xsect + inc_xsect + hkl_info.coh_xsect; /* Cross-sections are in barns = 10**-28 m**2, and unit cell volumes are in AA**3 = 10**-30 m**2. Hence a factor of 100 is used to convert scattering lengths to m**-1 */ double coh_xlen = hkl_info->coh_xsect / hkl_info->V0; if (data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->barns_setting) { coh_xlen *= 100; } // printf("Single crystal process returned coh_xlen = %E \n",coh_xlen); *my = coh_xlen * data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->pack; int iterate; // if (hkl_info->tau_count == 0) printf("my: ki=%f, no reflections matched \n",ki); for (iterate = 0; iterate < hkl_info->tau_count; iterate++) // printf("my: ki=%f, hkl_info->coh_xsect = %f, T[%d].refl = %f, coh_xlen = %f // \n",ki,hkl_info->coh_xsect,iterate,hkl_info->tau_list[iterate].refl,coh_xlen); // Probably need to rotate back from Powder/PG/curvature mode, as another process than this one could be selected. Would just need to send the used rotation // parameters to the process to repeat that rotation. return 1; }; // Function that provides description of a basic scattering event. // Do not change the int Single_crystal_physics_scattering (double* k_final, double* k_initial, double* weight, union data_transfer_union data_transfer, struct focus_data_struct* focus_data, _class_particle* _particle) { int i; /* Index into structure factor list */ struct hkl_data_union* L; /* Structure factor list */ int j; /* Index into reflection list */ struct tau_data_union* T; /* List of reflections close to Ewald sphere */ // double ox, oy, oz; /* Origin of Ewald sphere tangent plane */ // double l11, l12, l22; /* Cholesky decomposition L of 1/2*inv(N) */ double b1x, b1y, b1z; /* First vector spanning tangent plane */ double b2x, b2y, b2z; /* Second vector spanning tangent plane */ double z1, z2, y1, y2; /* Temporaries to choose kf from 2D Gauss */ double adjust, r, sum; /* Temporaries */ double kfx, kfy, kfz; /* Final wave vector */ double kix = k_initial[0], kiy = k_initial[1], kiz = k_initial[2]; double ki = sqrt (k_initial[0] * k_initial[0] + k_initial[1] * k_initial[1] + k_initial[2] * k_initial[2]); struct hkl_info_struct_union* hkl_info = data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->hkl_info_storage; L = hkl_info->list; T = hkl_info->tau_list; // Taken from Single_crystal.comp if (hkl_info->coh_refl <= 0) { return 0; // Return 0 will use ABSORB in main component (as it is not allowed in a function) } sum = 0; j = hkl_select_union (T, hkl_info->tau_count, hkl_info->coh_refl, &sum, _particle); // printf("Selected j = %d with T[%d].refl = %f \n",j,j,T[j].refl); if (j >= hkl_info->tau_count) { #ifndef OPENACC if (hkl_info->flag_warning < 100) fprintf (stderr, "Single_crystal_process: Error: Illegal tau search " "(r=%g, sum=%g, j=%i, tau_count=%i).\n", r, sum, j, hkl_info->tau_count); #endif hkl_info->flag_warning++; j = hkl_info->tau_count - 1; } i = T[j].index; /* (8). Pick scattered wavevector kf from 2D Gauss distribution. */ z1 = randnorm (); z2 = randnorm (); y1 = T[j].l11 * z1 + T[j].y0x; y2 = T[j].l12 * z1 + T[j].l22 * z2 + T[j].y0y; kfx = T[j].rho_x + T[j].ox + T[j].b1x * y1 + T[j].b2x * y2; kfy = T[j].rho_y + T[j].oy + T[j].b1y * y1 + T[j].b2y * y2; kfz = T[j].rho_z + T[j].oz + T[j].b1z * y1 + T[j].b2z * y2; /* Normalize kf to length of ki, to account for planer approximation of the Ewald sphere. */ adjust = ki / sqrt (kfx * kfx + kfy * kfy + kfz * kfz); kfx *= adjust; kfy *= adjust; kfz *= adjust; /* Adjust neutron weight (see manual for explanation). */ *weight *= T[j].xsect * hkl_info->coh_refl / (hkl_info->coh_xsect * T[j].refl); // printf("SCATTERING: hkl_info->coh_refl=%f, hkl_info->coh_xsect = %f, T[%d].refl = %f, hkl_info->tau.count = %d // \n",hkl_info->coh_refl,hkl_info->coh_xsect,j,T[j].refl,hkl_info->tau_count); // These is the returned final wavevector k_final[0] = L[i].u1x * kfx + L[i].u2x * kfy + L[i].u3x * kfz; k_final[1] = L[i].u1y * kfx + L[i].u2y * kfy + L[i].u3y * kfz; k_final[2] = L[i].u1z * kfx + L[i].u2z * kfy + L[i].u3z * kfz; if (data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->powder_setting) { // orientation of crystallite is no longer random randderotate_union (&k_final[0], &k_final[1], &k_final[2], data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->Alpha, data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->Beta, data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->Gamma); } if (data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->PG_setting) { // orientation of crystallite is longer random PGderotate_union (&k_final[0], &k_final[1], &k_final[2], data_transfer.pointer_to_a_Single_crystal_physics_storage_struct->Alpha, hkl_info->csx, hkl_info->csy, hkl_info->csz); } hkl_info->type = 'c'; hkl_info->h = L[i].h; hkl_info->k = L[i].k; hkl_info->l = L[i].l; return 1; }; #ifndef PROCESS_DETECTOR #define PROCESS_DETECTOR dummy #endif #ifndef PROCESS_SINGLE_CRYSTAL_DETECTOR #define PROCESS_SINGLE_CRYSTAL_DETECTOR dummy #endif /* Shared user declarations for all components types 'Union_make_material'. */ #ifndef Union #error "The Union_init component must be included before this Union_make_material component" #endif // This function checks if global_process_element should be included in this material when using automatic linking, returns 1 if yes, 0 if no. int automatic_linking_materials_function (struct global_process_element_struct global_process_element, struct pointer_to_global_material_list global_material_list, int current_index) { // Remember this function is used before the current material is added to global_material_list // debug info // MPI_MASTER( // printf("Checking if process with index %d should be automatically linked to material with index // %d\n",global_process_element.component_index,current_index); //) // Check if this is the first make_material, which makes the problem simpler. if (global_material_list.num_elements == 0) { if (global_process_element.component_index < current_index) return 1; else return 0; } // In case there are more than 1 make_material, global_material_list.elements[global_material_list.num_elements-1].component_index makes sense. if (global_process_element.component_index < current_index && global_process_element.component_index > global_material_list.elements[global_material_list.num_elements - 1].component_index) return 1; else return 0; } void manual_linking_function_material (char* input_string, struct pointer_to_global_process_list* global_process_list, struct pointer_to_1d_int_list* accepted_processes, char* component_name) { // Need to check a input_string of text for an occurance of name. If it is in the inputstring, yes return 1, otherwise 0. char* token; int loop_index; char local_string[256]; strcpy (local_string, input_string); // get the first token token = strtok (local_string, ","); // walk through tokens while (token != NULL) { // printf( " %s\n", token ); for (loop_index = 0; loop_index < global_process_list->num_elements; loop_index++) { if (strcmp (token, global_process_list->elements[loop_index].name) == 0) { add_element_to_int_list (accepted_processes, loop_index); break; } if (loop_index == global_process_list->num_elements - 1) { // All possible process names have been looked through, and the break was not executed. // Alert the user to this problem by showing the process name that was not found and the currently available processes printf ("\n"); printf ("ERROR: The process string \"%s\" in Union material \"%s\" had an entry that did not match a specified process. \n", input_string, component_name); printf (" The unrecoignized process name was: \"%s\" \n", token); printf (" The processes available at this point (need to be defined before the material): \n"); for (loop_index = 0; loop_index < global_process_list->num_elements; loop_index++) printf (" %s\n", global_process_list->elements[loop_index].name); exit (1); } } // Updates the token token = strtok (NULL, ","); } } // This function is needed in initialize of all geometry components // Possible to insert these functions in make material, as they are only compiled once instead of many times int manual_linking_function (char* name, char* input_string) { // Need to check a input_string of text for an occurance of name. If it is in the inputstring, yes return 1, otherwise 0. char* token; int return_integer = 0; char local_string[124]; strcpy (local_string, input_string); /* get the first token */ token = strtok (local_string, ","); /* walk through other tokens */ while (token != NULL) { if (strcmp (token, name) == 0) return_integer = 1; token = strtok (NULL, ","); } return return_integer; } #ifndef MATERIAL_DETECTOR #define MATERIAL_DETECTOR dummy #endif /* Shared user declarations for all components types 'Slit'. */ void slit_print_if (int condition, char* level, char* message, char* component) { if (condition) fprintf (stderr, "Slit: %s: %s: %s\n", component, level, message); } void slit_error_if (int condition, char* message, char* component) { slit_print_if (condition, "Error", message, component); if (condition) exit (-1); } void slit_warning_if (int condition, char* message, char* component) { slit_print_if (condition, "Warning", message, component); } /* Shared user declarations for all components types 'Union_cylinder'. */ #ifndef Union #error "The Union_init component must be included before this Union_cylinder component" #endif void mcdisplay_cylinder_function (struct lines_to_draw* lines_to_draw_output, int index, struct geometry_struct** Geometries, int number_of_volumes) { // Function to call in mcdisplay section of the sample component for this volume // One can assume that Geometries[index] refers to a geometry as described in this file // The 4 lines describin the cylinders side are aligned to the local frame of the cylinder, // it would be nicer to have them alligned with the global frame so that they show up nicely in // pgplotters on mcdisplay. // One could get the current global rotation and use this to counteract this effect. double height = Geometries[index]->geometry_parameters.p_cylinder_storage->height; double radius = Geometries[index]->geometry_parameters.p_cylinder_storage->cyl_radius; Coords direction = Geometries[index]->geometry_parameters.p_cylinder_storage->direction_vector; Coords center = Geometries[index]->center; Coords bottom_point = coords_add (center, coords_scalar_mult (direction, 0.5 * height)); Coords top_point = coords_add (center, coords_scalar_mult (direction, -0.5 * height)); struct lines_to_draw lines_to_draw_temp; lines_to_draw_temp.number_of_lines = 0; lines_to_draw_temp = draw_circle_with_highest_priority (top_point, direction, radius, index, Geometries, number_of_volumes, 2); merge_lines_to_draw (lines_to_draw_output, &lines_to_draw_temp); lines_to_draw_temp = draw_circle_with_highest_priority (bottom_point, direction, radius, index, Geometries, number_of_volumes, 2); merge_lines_to_draw (lines_to_draw_output, &lines_to_draw_temp); Coords point1, point2; int iterate, number_of_points = 4; for (iterate = 0; iterate < number_of_points; iterate++) { point1 = point_on_circle (top_point, direction, radius, iterate, number_of_points); point2 = point_on_circle (bottom_point, direction, radius, iterate, number_of_points); lines_to_draw_temp = draw_line_with_highest_priority (point1, point2, index, Geometries, number_of_volumes, 2); merge_lines_to_draw (lines_to_draw_output, &lines_to_draw_temp); } }; void initialize_cylinder_geometry_from_main_component (struct geometry_struct* cylinder) { // Function to be called in initialize of the main component // This is done as the rotation matrix needs to be relative to the main component instead of global // Everything done in initialize in this component file has the rotation matrix relative to global Coords simple_vector; Coords cyl_vector; // Start with vector that points along the cylinder in the local frame simple_vector = coords_set (0, 1, 0); // Rotate the direction vector of the cylinder to the master component frame of reference cyl_vector = rot_apply (cylinder->rotation_matrix, simple_vector); NORM (cyl_vector.x, cyl_vector.y, cyl_vector.z); cylinder->geometry_parameters.p_cylinder_storage->direction_vector.x = cyl_vector.x; cylinder->geometry_parameters.p_cylinder_storage->direction_vector.y = cyl_vector.y; cylinder->geometry_parameters.p_cylinder_storage->direction_vector.z = cyl_vector.z; // if (verbal == 1) printf("Cords vector1 = (%f,%f,%f)\n",cyl_vector.x,cyl_vector.y, } struct pointer_to_1d_coords_list cylinder_shell_points (struct geometry_struct* geometry, int max_number_of_points) { // Function that returns a number (less than max) of points on the geometry surface // If used, remember to free the space allocated. int points_per_circle = floor (max_number_of_points / 2.0); struct pointer_to_1d_coords_list cylinder_shell_array; cylinder_shell_array.elements = malloc (2 * points_per_circle * sizeof (Coords)); cylinder_shell_array.num_elements = 2 * points_per_circle; Coords cyl_direction = geometry->geometry_parameters.p_cylinder_storage->direction_vector; Coords center = geometry->center; double radius = geometry->geometry_parameters.p_cylinder_storage->cyl_radius; double height = geometry->geometry_parameters.p_cylinder_storage->height; Coords cyl_top_point = coords_add (center, coords_scalar_mult (cyl_direction, 0.5 * height)); Coords cyl_bottom_point = coords_add (center, coords_scalar_mult (cyl_direction, -0.5 * height)); points_on_circle (cylinder_shell_array.elements, cyl_top_point, cyl_direction, radius, points_per_circle); // Need to verify this pointer arithimatic works as intended points_on_circle (cylinder_shell_array.elements + points_per_circle, cyl_bottom_point, cyl_direction, radius, points_per_circle); return cylinder_shell_array; } #ifndef ANY_GEOMETRY_DETECTOR_DECLARE #define ANY_GEOMETRY_DETECTOR_DECLARE dummy // struct pointer_to_global_geometry_list global_geometry_list = {0,NULL}; #endif /* Shared user declarations for all components types 'Union_master'. */ #ifndef Union #error "The Union_init component must be included before this Union_master component" #endif struct logger_with_data_struct loggers_with_data_array; struct abs_logger_with_data_struct abs_loggers_with_data_array; #ifndef MASTER_DETECTOR #define MASTER_DETECTOR dummy #endif /* Shared user declarations for all components types 'Monitor_nD'. */ /******************************************************************************* * * McStas, neutron ray-tracing package * Copyright 1997-2002, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Library: share/monitor_nd-lib.h * * %Identification * Written by: EF * Date: Aug 28, 2002 * Origin: ILL * Modified by: TW, Nov 2020: introduced user doubles * Release: McStas 1.6 * Version: $Revision$ * * This file is to be imported by the monitor_nd related components * It handles some shared functions. * * Usage: within SHARE * %include "monitor_nd-lib" * *******************************************************************************/ #ifndef MONITOR_ND_LIB_H #define MONITOR_ND_LIB_H "$Revision$" #define MONnD_COORD_NMAX 30 /* max number of variables to record */ typedef struct MonitornD_Defines { int COORD_NONE ; int COORD_X ; int COORD_Y ; int COORD_Z ; int COORD_RADIUS; int COORD_VX ; int COORD_VY ; int COORD_VZ ; int COORD_V ; int COORD_T ; int COORD_P ; int COORD_SX ; int COORD_SY ; int COORD_SZ ; int COORD_KX ; int COORD_KY ; int COORD_KZ ; int COORD_K ; int COORD_ENERGY; int COORD_LAMBDA; int COORD_KXY ; int COORD_KYZ ; int COORD_KXZ ; int COORD_VXY ; int COORD_VYZ ; int COORD_VXZ ; int COORD_HDIV ; int COORD_VDIV ; int COORD_ANGLE ; int COORD_NCOUNT; int COORD_THETA ; int COORD_PHI ; int COORD_USER1 ; int COORD_USER2 ; int COORD_USER3 ; int COORD_USERDOUBLE0 ; int COORD_USERDOUBLE1 ; int COORD_USERDOUBLE2 ; int COORD_USERDOUBLE3 ; int COORD_USERDOUBLE4 ; int COORD_USERDOUBLE5 ; int COORD_USERDOUBLE6 ; int COORD_USERDOUBLE7 ; int COORD_USERDOUBLE8 ; int COORD_USERDOUBLE9 ; int COORD_USERDOUBLE10 ; int COORD_USERDOUBLE11 ; int COORD_USERDOUBLE12 ; int COORD_USERDOUBLE13 ; int COORD_USERDOUBLE14 ; int COORD_USERDOUBLE15 ; int COORD_XY ; int COORD_XZ ; int COORD_YZ ; int COORD_PIXELID; /* token modifiers */ int COORD_VAR ; /* next token should be a variable or normal option */ int COORD_MIN ; /* next token is a min value */ int COORD_MAX ; /* next token is a max value */ int COORD_DIM ; /* next token is a bin value */ int COORD_FIL ; /* next token is a filename */ int COORD_EVNT ; /* next token is a buffer size value */ int COORD_3HE ; /* next token is a 3He pressure value */ int COORD_LOG ; /* next variable will be in log scale */ int COORD_ABS ; /* next variable will be in abs scale */ int COORD_SIGNAL; /* next variable will be the signal var */ int COORD_AUTO ; /* set auto limits */ char TOKEN_DEL[32]; /* token separators */ char SHAPE_SQUARE; /* shape of the monitor */ char SHAPE_DISK ; char SHAPE_SPHERE; char SHAPE_CYLIND; char SHAPE_BANANA; /* cylinder without top/bottom, on restricted angular area */ char SHAPE_BOX ; char SHAPE_PREVIOUS; char SHAPE_OFF; } MonitornD_Defines_type; typedef struct MonitornD_Variables { double area; double Sphere_Radius ; double Cylinder_Height ; char Flag_With_Borders ; /* 2 means xy borders too */ char Flag_List ; /* 1 store 1 buffer, 2 is list all, 3 list all+append */ char Flag_nexusbins ; /* Only relevant in NeXus mode. -1 fully disable, 0 store BINS arrays if list mode, 1 store always */ char Flag_Multiple ; /* 1 when n1D, 0 for 2D */ char Flag_Verbose ; int Flag_Shape ; char Flag_Auto_Limits ; /* get limits from first Buffer */ char Flag_Absorb ; /* monitor is also a slit */ char Flag_per_cm2 ; /* flux is per cm2 */ char Flag_log ; /* log10 of the flux */ char Flag_parallel ; /* set neutron state back after detection (parallel components) */ char Flag_Binary_List ; char Flag_capture ; /* lambda monitor with lambda/lambda(2200m/s = 1.7985 Angs) weightening */ int Flag_signal ; /* 0:monitor p, else monitor a mean value */ int Flag_mantid ; /* 0:normal monitor, else do mantid-event specifics */ int Flag_OFF ; /* Flag to indicate external geometry from OFF file */ long long OFF_polyidx; /* When intersection is done externally by off_intersect, this gives the polygon number, i.e. pixel index */ unsigned long Coord_Number ; /* total number of variables to monitor, plus intensity (0) */ unsigned long Coord_NumberNoPixel; /* same but without counting PixelID */ unsigned long Buffer_Block ; /* Buffer size for list or auto limits */ long long Neutron_Counter ; /* event counter, simulation total counts is mcget_ncount() */ unsigned long Buffer_Counter ; /* index in Buffer size (for realloc) */ unsigned long Buffer_Size ; int Coord_Type[MONnD_COORD_NMAX]; /* type of variable */ char Coord_Label[MONnD_COORD_NMAX][30]; /* label of variable */ char Coord_Var[MONnD_COORD_NMAX][30]; /* short id of variable */ long Coord_Bin[MONnD_COORD_NMAX]; /* bins of variable array */ long Coord_BinProd[MONnD_COORD_NMAX]; /* product of bins of variable array */ double Coord_Min[MONnD_COORD_NMAX]; double Coord_Max[MONnD_COORD_NMAX]; char Monitor_Label[MONnD_COORD_NMAX*30];/* Label for monitor */ char Mon_File[128]; /* output file name */ /* these don't seem to be used anymore as they are superseded by _particle double cx, cy, cz; double cvx, cvy, cvz; double ckx, cky, ckz; double csx, csy, csz; double cEx, cEy, cEz; double cs1, cs2, ct, cphi, cp; */ double He3_pressure; char Flag_UsePreMonitor ; /* use a previously stored neutron parameter set */ char UserName1[128]; char UserName2[128]; char UserName3[128]; char UserVariable1[128]; char UserVariable2[128]; char UserVariable3[128]; double UserDoubles[16]; char option[CHAR_BUF_LENGTH]; long long int Nsum; double psum, p2sum; double **Mon2D_N; double **Mon2D_p; double **Mon2D_p2; double *Mon2D_Buffer; unsigned long PixelID; double mxmin,mxmax,mymin,mymax,mzmin,mzmax; double mean_dx, mean_dy, min_x, min_y, max_x, max_y, mean_p; char compcurname[128]; Coords compcurpos; Rotation compcurrot; int compcurindex; } MonitornD_Variables_type; /* monitor_nd-lib function prototypes */ /* ========================================================================= */ void Monitor_nD_Init(MonitornD_Defines_type *, MonitornD_Variables_type *, MCNUM, MCNUM, MCNUM, MCNUM, MCNUM, MCNUM, MCNUM, MCNUM, MCNUM, int, int); #pragma acc routine int Monitor_nD_Trace(MonitornD_Defines_type *, MonitornD_Variables_type *, _class_particle* _particle); MCDETECTOR Monitor_nD_Save(MonitornD_Defines_type *, MonitornD_Variables_type *); void Monitor_nD_Finally(MonitornD_Defines_type *, MonitornD_Variables_type *); void Monitor_nD_McDisplay(MonitornD_Defines_type *, MonitornD_Variables_type *); #endif /* end of monitor_nd-lib.h */ /******************************************************************************* * * McStas, neutron ray-tracing package * Copyright 1997-2002, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Library: share/monitor_nd-lib.c * * %Identification * Written by: EF * Date: Aug 28, 2002 * Origin: ILL * Modified by: TW, Nov 2020: introduced user doubles * Release: McStas 1.6 * Version: $Revision$ * * This file is to be imported by the monitor_nd related components * It handles some shared functions. Embedded within instrument in runtime mode. * * Usage: within SHARE * %include "monitor_nd-lib" * *******************************************************************************/ #ifndef MONITOR_ND_LIB_H #error McStas : please import this library with %include "monitor_nd-lib" #endif /* ========================================================================= */ /* Monitor_nD_Init: this routine is used to parse options */ /* ========================================================================= */ void Monitor_nD_Init(MonitornD_Defines_type *DEFS, MonitornD_Variables_type *Vars, MCNUM xwidth, MCNUM yheight, MCNUM zdepth, MCNUM xmin, MCNUM xmax, MCNUM ymin, MCNUM ymax, MCNUM zmin, MCNUM zmax, int offflag, int nexusbins) { long carg = 1; char *option_copy, *token; char Flag_New_token = 1; char Flag_End = 1; char Flag_All = 0; char Flag_No = 0; char Flag_abs = 0; int Flag_auto = 0; /* -1: all, 1: the current variable */ int Set_Vars_Coord_Type; char Set_Vars_Coord_Label[64]; char Set_Vars_Coord_Var[64]; char Short_Label[MONnD_COORD_NMAX][64]; int Set_Coord_Mode; long i=0, j=0; double lmin, lmax, XY=0; long t; int N_spatial_dims=0; t = (long)time(NULL); /* initialize DEFS */ /* Variables to monitor */ DEFS->COORD_NONE =0; DEFS->COORD_X =1; DEFS->COORD_Y =2; DEFS->COORD_Z =3; DEFS->COORD_RADIUS =19; DEFS->COORD_VX =4; DEFS->COORD_VY =5; DEFS->COORD_VZ =6; DEFS->COORD_V =16; DEFS->COORD_T =7; DEFS->COORD_P =8; DEFS->COORD_SX =9; DEFS->COORD_SY =10; DEFS->COORD_SZ =11; DEFS->COORD_KX =12; DEFS->COORD_KY =13; DEFS->COORD_KZ =14; DEFS->COORD_K =15; DEFS->COORD_ENERGY =17; DEFS->COORD_LAMBDA =18; DEFS->COORD_HDIV =20; DEFS->COORD_VDIV =21; DEFS->COORD_ANGLE =22; DEFS->COORD_NCOUNT =23; DEFS->COORD_THETA =24; DEFS->COORD_PHI =25; DEFS->COORD_USER1 =26; DEFS->COORD_USER2 =27; DEFS->COORD_USER3 =28; DEFS->COORD_USERDOUBLE0=39; DEFS->COORD_USERDOUBLE1=40; DEFS->COORD_USERDOUBLE2=41; DEFS->COORD_USERDOUBLE3=42; DEFS->COORD_USERDOUBLE4=43; DEFS->COORD_USERDOUBLE5=44; DEFS->COORD_USERDOUBLE6=45; DEFS->COORD_USERDOUBLE7=46; DEFS->COORD_USERDOUBLE8=47; DEFS->COORD_USERDOUBLE9=48; DEFS->COORD_USERDOUBLE10=49; DEFS->COORD_USERDOUBLE11=50; DEFS->COORD_USERDOUBLE12=51; DEFS->COORD_USERDOUBLE13=52; DEFS->COORD_USERDOUBLE14=53; DEFS->COORD_USERDOUBLE15=54; DEFS->COORD_XY =37; DEFS->COORD_YZ =31; DEFS->COORD_XZ =32; DEFS->COORD_VXY =30; DEFS->COORD_VYZ =34; DEFS->COORD_VXZ =36; DEFS->COORD_KXY =29; DEFS->COORD_KYZ =33; DEFS->COORD_KXZ =35; DEFS->COORD_PIXELID=38; /* token modifiers */ DEFS->COORD_VAR =0; /* next token should be a variable or normal option */ DEFS->COORD_MIN =1; /* next token is a min value */ DEFS->COORD_MAX =2; /* next token is a max value */ DEFS->COORD_DIM =3; /* next token is a bin value */ DEFS->COORD_FIL =4; /* next token is a filename */ DEFS->COORD_EVNT =5; /* next token is a buffer size value */ DEFS->COORD_3HE =6; /* next token is a 3He pressure value */ DEFS->COORD_LOG =64; /* next variable will be in log scale */ DEFS->COORD_ABS =128; /* next variable will be in abs scale */ DEFS->COORD_SIGNAL =256; /* next variable will be the signal var */ DEFS->COORD_AUTO =512; /* set auto limits */ strcpy(DEFS->TOKEN_DEL, " =,;[](){}:"); /* token separators */ DEFS->SHAPE_SQUARE =0; /* shape of the monitor */ DEFS->SHAPE_DISK =1; DEFS->SHAPE_SPHERE =2; DEFS->SHAPE_CYLIND =3; DEFS->SHAPE_BANANA =4; DEFS->SHAPE_BOX =5; DEFS->SHAPE_PREVIOUS=6; DEFS->SHAPE_OFF=7; Vars->Sphere_Radius = 0; Vars->Cylinder_Height = 0; Vars->Flag_With_Borders = 0; /* 2 means xy borders too */ Vars->Flag_List = 0; /* 1=store 1 buffer, 2=list all, 3=re-use buffer */ Vars->Flag_nexusbins = 0; /* NeXus only: -1=disable, 0=enable for list mode, 1=enable for all monitors */ /* (Actual control of variable happens in comp INIT) */ Vars->Flag_Multiple = 0; /* 1 when n1D, 0 for 2D */ Vars->Flag_Verbose = 0; Vars->Flag_Shape = DEFS->SHAPE_SQUARE; Vars->Flag_Auto_Limits = 0; /* get limits from first Buffer */ Vars->Flag_Absorb = 0; /* monitor is also a slit */ Vars->Flag_per_cm2 = 0; /* flux is per cm2 */ Vars->Flag_log = 0; /* log10 of the flux */ Vars->Flag_parallel = 0; /* set neutron state back after detection (parallel components) */ Vars->Flag_Binary_List = 0; /* save list as a binary file (smaller) */ Vars->Coord_Number = 0; /* total number of variables to monitor, plus intensity (0) */ Vars->Coord_NumberNoPixel=0; /* same but without counting PixelID */ Vars->Buffer_Block = MONND_BUFSIZ; /* Buffer size for list or auto limits */ Vars->Neutron_Counter = 0; /* event counter, simulation total counts is mcget_ncount() */ Vars->Buffer_Counter = 0; /* index in Buffer size (for realloc) */ Vars->Buffer_Size = 0; Vars->He3_pressure = 0; Vars->Flag_capture = 0; Vars->Flag_signal = DEFS->COORD_P; Vars->Flag_mantid = 0; Vars->Flag_OFF = offflag; Vars->OFF_polyidx = -1; Vars->mean_dx=Vars->mean_dy=0; Vars->min_x = Vars->max_x =0; Vars->min_y = Vars->max_y =0; Set_Vars_Coord_Type = DEFS->COORD_NONE; Set_Coord_Mode = DEFS->COORD_VAR; /* handle size parameters */ /* normal use is with xwidth, yheight, zdepth */ /* if xmin,xmax,ymin,ymax,zmin,zmax are non 0, use them */ if (fabs(xmin-xmax) == 0) { Vars->mxmin = -fabs(xwidth)/2; Vars->mxmax = fabs(xwidth)/2; } else { if (xmin < xmax) {Vars->mxmin = xmin; Vars->mxmax = xmax;} else {Vars->mxmin = xmax; Vars->mxmax = xmin;} } if (fabs(ymin-ymax) == 0) { Vars->mymin = -fabs(yheight)/2; Vars->mymax = fabs(yheight)/2; } else { if (ymin < ymax) {Vars->mymin = ymin; Vars->mymax = ymax;} else {Vars->mymin = ymax; Vars->mymax = ymin;} } if (fabs(zmin-zmax) == 0) { Vars->mzmin = -fabs(zdepth)/2; Vars->mzmax = fabs(zdepth)/2; } else { if (zmin < zmax) {Vars->mzmin = zmin; Vars->mzmax = zmax; } else {Vars->mzmin = zmax; Vars->mzmax = zmin; } } if (fabs(Vars->mzmax-Vars->mzmin) == 0) Vars->Flag_Shape = DEFS->SHAPE_SQUARE; else Vars->Flag_Shape = DEFS->SHAPE_BOX; if (Vars->Flag_OFF) { N_spatial_dims++; Vars->Flag_Shape = DEFS->SHAPE_OFF; } /* parse option string */ option_copy = (char*)malloc(strlen(Vars->option)+1); if (option_copy == NULL) { fprintf(stderr,"Monitor_nD: %s cannot allocate 'options' copy (%li). Fatal.\n", Vars->compcurname, (long)strlen(Vars->option)); exit(-1); } if (strlen(Vars->option)) { Flag_End = 0; strcpy(option_copy, Vars->option); } if (strstr(Vars->option, "cm2") || strstr(Vars->option, "cm^2")) Vars->Flag_per_cm2 = 1; if (strstr(Vars->option, "binary") || strstr(Vars->option, "float")) Vars->Flag_Binary_List = 1; if (strstr(Vars->option, "double")) Vars->Flag_Binary_List = 2; strcpy(Vars->Coord_Label[0],"Intensity"); strncpy(Vars->Coord_Var[0],"p",30); Vars->Coord_Type[0] = DEFS->COORD_P; Vars->Coord_Bin[0] = 1; Vars->Coord_Min[0] = 0; Vars->Coord_Max[0] = FLT_MAX; /* default file name is comp_name+dateID */ sprintf(Vars->Mon_File, "%s_%li", Vars->compcurname, t); carg = 1; while((Flag_End == 0) && (carg < 128)) { if (Flag_New_token) /* retain previous token or get a new one */ { if (carg == 1) token=(char *)strtok(option_copy,DEFS->TOKEN_DEL); else token=(char *)strtok(NULL,DEFS->TOKEN_DEL); if (token == NULL) Flag_End=1; } Flag_New_token = 1; if ((token != NULL) && (strlen(token) != 0)) { char iskeyword=0; /* left at 0 when variables are processed, 1 for modifiers */ int old_Mode; /* change token to lower case */ for (i=0; iCOORD_MAX) /* max=%i */ { if (!Flag_All) Vars->Coord_Max[Vars->Coord_Number] = atof(token); else for (i = 0; i <= Vars->Coord_Number; Vars->Coord_Max[i++] = atof(token)); Set_Coord_Mode = DEFS->COORD_VAR; Flag_All = 0; } if (Set_Coord_Mode == DEFS->COORD_MIN) /* min=%i */ { if (!Flag_All) Vars->Coord_Min[Vars->Coord_Number] = atof(token); else for (i = 0; i <= Vars->Coord_Number; Vars->Coord_Min[i++] = atof(token)); Set_Coord_Mode = DEFS->COORD_MAX; } if (Set_Coord_Mode == DEFS->COORD_DIM) /* bins=%i */ { if (!Flag_All) Vars->Coord_Bin[Vars->Coord_Number] = atoi(token); else for (i = 0; i <= Vars->Coord_Number; Vars->Coord_Bin[i++] = atoi(token)); Set_Coord_Mode = DEFS->COORD_VAR; Flag_All = 0; } if (Set_Coord_Mode == DEFS->COORD_FIL) /* file=%s */ { if (!Flag_No) strncpy(Vars->Mon_File,token,128); else { strcpy(Vars->Mon_File,""); Vars->Coord_Number = 0; Flag_End = 1;} Set_Coord_Mode = DEFS->COORD_VAR; } if (Set_Coord_Mode == DEFS->COORD_EVNT) /* list=%i */ { if (!strcmp(token, "all") || Flag_All) Vars->Flag_List = 2; else { i = (long)ceil(atof(token)); if (i) Vars->Buffer_Block = i; Vars->Flag_List = 1; } Set_Coord_Mode = DEFS->COORD_VAR; Flag_All = 0; } if (Set_Coord_Mode == DEFS->COORD_3HE) /* pressure=%g */ { Vars->He3_pressure = atof(token); Set_Coord_Mode = DEFS->COORD_VAR; Flag_All = 0; } /* now look for general option keywords */ if (!strcmp(token, "borders")) {Vars->Flag_With_Borders = 1; iskeyword=1; } if (!strcmp(token, "verbose")) {Vars->Flag_Verbose = 1; iskeyword=1; } if (!strcmp(token, "log")) {Vars->Flag_log = 1; iskeyword=1; } if (!strcmp(token, "abs")) {Flag_abs = 1; iskeyword=1; } if (!strcmp(token, "multiple")) {Vars->Flag_Multiple = 1; iskeyword=1; } if (!strcmp(token, "list") || !strcmp(token, "events")) { Vars->Flag_List = 1; Set_Coord_Mode = DEFS->COORD_EVNT; } if (!strcmp(token, "limits") || !strcmp(token, "min")) Set_Coord_Mode = DEFS->COORD_MIN; if (!strcmp(token, "slit") || !strcmp(token, "absorb")) { Vars->Flag_Absorb = 1; iskeyword=1; } if (!strcmp(token, "max")) Set_Coord_Mode = DEFS->COORD_MAX; if (!strcmp(token, "bins") || !strcmp(token, "dim")) Set_Coord_Mode = DEFS->COORD_DIM; if (!strcmp(token, "file") || !strcmp(token, "filename")) { Set_Coord_Mode = DEFS->COORD_FIL; if (Flag_No) { strcpy(Vars->Mon_File,""); Vars->Coord_Number = 0; Flag_End = 1; } } if (!strcmp(token, "inactivate")) { Flag_End = 1; Vars->Coord_Number = 0; iskeyword=1; } if (!strcmp(token, "all")) { Flag_All = 1; iskeyword=1; } if (!strcmp(token, "sphere")) { Vars->Flag_Shape = DEFS->SHAPE_SPHERE; iskeyword=1; } if (!strcmp(token, "cylinder")) { Vars->Flag_Shape = DEFS->SHAPE_CYLIND; iskeyword=1; } if (!strcmp(token, "banana")) { Vars->Flag_Shape = DEFS->SHAPE_BANANA; iskeyword=1; } if (!strcmp(token, "square")) { Vars->Flag_Shape = DEFS->SHAPE_SQUARE; iskeyword=1; } if (!strcmp(token, "disk")) { Vars->Flag_Shape = DEFS->SHAPE_DISK; iskeyword=1; } if (!strcmp(token, "box")) { Vars->Flag_Shape = DEFS->SHAPE_BOX; iskeyword=1; } if (!strcmp(token, "previous")) { Vars->Flag_Shape = DEFS->SHAPE_PREVIOUS; iskeyword=1; } if (!strcmp(token, "parallel")){ Vars->Flag_parallel = 1; iskeyword=1; } if (!strcmp(token, "capture")) { Vars->Flag_capture = 1; iskeyword=1; } if (!strcmp(token, "auto")) { #ifndef OPENACC if (Flag_auto != -1) { Vars->Flag_Auto_Limits = 1; if (Flag_All) Flag_auto = -1; else Flag_auto = 1; iskeyword=1; Flag_All=0; } #endif } if (!strcmp(token, "premonitor")) { Vars->Flag_UsePreMonitor = 1; iskeyword=1; } if (!strcmp(token, "3He_pressure") || !strcmp(token, "pressure")) { Vars->He3_pressure = 3; iskeyword=1; } if (!strcmp(token, "no") || !strcmp(token, "not")) { Flag_No = 1; iskeyword=1; } if (!strcmp(token, "signal")) Set_Coord_Mode = DEFS->COORD_SIGNAL; if (!strcmp(token, "mantid")) { Vars->Flag_mantid = 1; iskeyword=1; } /* Mode has changed: this was a keyword or value ? */ if (Set_Coord_Mode != old_Mode) iskeyword=1; /* now look for variable names to monitor */ Set_Vars_Coord_Type = DEFS->COORD_NONE; lmin = 0; lmax = 0; if (!strcmp(token, "x")) { Set_Vars_Coord_Type = DEFS->COORD_X; strcpy(Set_Vars_Coord_Label,"x [m]"); strcpy(Set_Vars_Coord_Var,"x"); lmin = Vars->mxmin; lmax = Vars->mxmax; Vars->Coord_Min[Vars->Coord_Number+1] = Vars->mxmin; Vars->Coord_Max[Vars->Coord_Number+1] = Vars->mxmax; N_spatial_dims++;} if (!strcmp(token, "y")) { Set_Vars_Coord_Type = DEFS->COORD_Y; strcpy(Set_Vars_Coord_Label,"y [m]"); strcpy(Set_Vars_Coord_Var,"y"); lmin = Vars->mymin; lmax = Vars->mymax; Vars->Coord_Min[Vars->Coord_Number+1] = Vars->mymin; Vars->Coord_Max[Vars->Coord_Number+1] = Vars->mymax; N_spatial_dims++;} if (!strcmp(token, "z")) { Set_Vars_Coord_Type = DEFS->COORD_Z; strcpy(Set_Vars_Coord_Label,"z [m]"); strcpy(Set_Vars_Coord_Var,"z"); lmin = Vars->mzmin; lmax = Vars->mzmax; N_spatial_dims++;} if (!strcmp(token, "k") || !strcmp(token, "wavevector")) { Set_Vars_Coord_Type = DEFS->COORD_K; strcpy(Set_Vars_Coord_Label,"|k| [Angs-1]"); strcpy(Set_Vars_Coord_Var,"k"); lmin = 0; lmax = 10; } if (!strcmp(token, "v")) { Set_Vars_Coord_Type = DEFS->COORD_V; strcpy(Set_Vars_Coord_Label,"Velocity [m/s]"); strcpy(Set_Vars_Coord_Var,"v"); lmin = 0; lmax = 10000; } if (!strcmp(token, "t") || !strcmp(token, "time") || !strcmp(token, "tof")) { Set_Vars_Coord_Type = DEFS->COORD_T; strcpy(Set_Vars_Coord_Label,"TOF [s]"); strcpy(Set_Vars_Coord_Var,"t"); lmin = 0; lmax = 1.0; } if ((!strcmp(token, "p") || !strcmp(token, "i") || !strcmp(token, "intensity") || !strcmp(token, "flux"))) { Set_Vars_Coord_Type = DEFS->COORD_P; strcpy(Set_Vars_Coord_Label,"Intensity"); strncat(Set_Vars_Coord_Label, " [n/s", 30); if (Vars->Flag_per_cm2) strncat(Set_Vars_Coord_Label, "/cm2", 30); if (XY > 1 && Vars->Coord_Number) strncat(Set_Vars_Coord_Label, "/bin", 30); strncat(Set_Vars_Coord_Label, "]", 30); strcpy(Set_Vars_Coord_Var,"I"); lmin = 0; lmax = FLT_MAX; if (Flag_auto>0) Flag_auto=0; } if (!strcmp(token, "vx")) { Set_Vars_Coord_Type = DEFS->COORD_VX; strcpy(Set_Vars_Coord_Label,"vx [m/s]"); strcpy(Set_Vars_Coord_Var,"vx"); lmin = -1000; lmax = 1000; } if (!strcmp(token, "vy")) { Set_Vars_Coord_Type = DEFS->COORD_VY; strcpy(Set_Vars_Coord_Label,"vy [m/s]"); strcpy(Set_Vars_Coord_Var,"vy"); lmin = -1000; lmax = 1000; } if (!strcmp(token, "vz")) { Set_Vars_Coord_Type = DEFS->COORD_VZ; strcpy(Set_Vars_Coord_Label,"vz [m/s]"); strcpy(Set_Vars_Coord_Var,"vz"); lmin = -10000; lmax = 10000; } if (!strcmp(token, "kx")) { Set_Vars_Coord_Type = DEFS->COORD_KX; strcpy(Set_Vars_Coord_Label,"kx [Angs-1]"); strcpy(Set_Vars_Coord_Var,"kx"); lmin = -1; lmax = 1; } if (!strcmp(token, "ky")) { Set_Vars_Coord_Type = DEFS->COORD_KY; strcpy(Set_Vars_Coord_Label,"ky [Angs-1]"); strcpy(Set_Vars_Coord_Var,"ky"); lmin = -1; lmax = 1; } if (!strcmp(token, "kz")) { Set_Vars_Coord_Type = DEFS->COORD_KZ; strcpy(Set_Vars_Coord_Label,"kz [Angs-1]"); strcpy(Set_Vars_Coord_Var,"kz"); lmin = -10; lmax = 10; } if (!strcmp(token, "sx")) { Set_Vars_Coord_Type = DEFS->COORD_SX; strcpy(Set_Vars_Coord_Label,"sx [1]"); strcpy(Set_Vars_Coord_Var,"sx"); lmin = -1; lmax = 1; } if (!strcmp(token, "sy")) { Set_Vars_Coord_Type = DEFS->COORD_SY; strcpy(Set_Vars_Coord_Label,"sy [1]"); strcpy(Set_Vars_Coord_Var,"sy"); lmin = -1; lmax = 1; } if (!strcmp(token, "sz")) { Set_Vars_Coord_Type = DEFS->COORD_SZ; strcpy(Set_Vars_Coord_Label,"sz [1]"); strcpy(Set_Vars_Coord_Var,"sz"); lmin = -1; lmax = 1; } if (!strcmp(token, "energy") || !strcmp(token, "omega") || !strcmp(token, "e")) { Set_Vars_Coord_Type = DEFS->COORD_ENERGY; strcpy(Set_Vars_Coord_Label,"Energy [meV]"); strcpy(Set_Vars_Coord_Var,"E"); lmin = 0; lmax = 100; } if (!strcmp(token, "lambda") || !strcmp(token, "wavelength") || !strcmp(token, "l")) { Set_Vars_Coord_Type = DEFS->COORD_LAMBDA; strcpy(Set_Vars_Coord_Label,"Wavelength [Angs]"); strcpy(Set_Vars_Coord_Var,"L"); lmin = 0; lmax = 100; } if (!strcmp(token, "radius") || !strcmp(token, "r")) { Set_Vars_Coord_Type = DEFS->COORD_RADIUS; strcpy(Set_Vars_Coord_Label,"Radius [m]"); strcpy(Set_Vars_Coord_Var,"xy"); lmin = 0; lmax = xmax; } if (!strcmp(token, "xy")) { Set_Vars_Coord_Type = DEFS->COORD_XY; strcpy(Set_Vars_Coord_Label,"Radius (xy) [m]"); strcpy(Set_Vars_Coord_Var,"xy"); lmin = 0; lmax = xmax; N_spatial_dims+=1;} if (!strcmp(token, "yz")) { Set_Vars_Coord_Type = DEFS->COORD_YZ; strcpy(Set_Vars_Coord_Label,"Radius (yz) [m]"); strcpy(Set_Vars_Coord_Var,"yz"); lmin = 0; lmax = xmax; N_spatial_dims+=1;} if (!strcmp(token, "xz")) { Set_Vars_Coord_Type = DEFS->COORD_XZ; strcpy(Set_Vars_Coord_Label,"Radius (xz) [m]"); strcpy(Set_Vars_Coord_Var,"xz"); lmin = 0; lmax = xmax; N_spatial_dims+=1;} if (!strcmp(token, "vxy")) { Set_Vars_Coord_Type = DEFS->COORD_VXY; strcpy(Set_Vars_Coord_Label,"Radial Velocity (xy) [m]"); strcpy(Set_Vars_Coord_Var,"Vxy"); lmin = 0; lmax = 2000; } if (!strcmp(token, "kxy")) { Set_Vars_Coord_Type = DEFS->COORD_KXY; strcpy(Set_Vars_Coord_Label,"Radial Wavevector (xy) [Angs-1]"); strcpy(Set_Vars_Coord_Var,"Kxy"); lmin = 0; lmax = 2; } if (!strcmp(token, "vyz")) { Set_Vars_Coord_Type = DEFS->COORD_VYZ; strcpy(Set_Vars_Coord_Label,"Radial Velocity (yz) [m]"); strcpy(Set_Vars_Coord_Var,"Vyz"); lmin = 0; lmax = 2000; } if (!strcmp(token, "kyz")) { Set_Vars_Coord_Type = DEFS->COORD_KYZ; strcpy(Set_Vars_Coord_Label,"Radial Wavevector (yz) [Angs-1]"); strcpy(Set_Vars_Coord_Var,"Kyz"); lmin = 0; lmax = 2; } if (!strcmp(token, "vxz")) { Set_Vars_Coord_Type = DEFS->COORD_VXZ; strcpy(Set_Vars_Coord_Label,"Radial Velocity (xz) [m]"); strcpy(Set_Vars_Coord_Var,"Vxz"); lmin = 0; lmax = 2000; } if (!strcmp(token, "kxz")) { Set_Vars_Coord_Type = DEFS->COORD_KXZ; strcpy(Set_Vars_Coord_Label,"Radial Wavevector (xz) [Angs-1]"); strcpy(Set_Vars_Coord_Var,"Kxz"); lmin = 0; lmax = 2; } if (!strcmp(token, "angle") || !strcmp(token, "a")) { Set_Vars_Coord_Type = DEFS->COORD_ANGLE; strcpy(Set_Vars_Coord_Label,"Angle [deg]"); strcpy(Set_Vars_Coord_Var,"A"); lmin = -50; lmax = 50; N_spatial_dims++;} if (!strcmp(token, "hdiv")|| !strcmp(token, "divergence") || !strcmp(token, "xdiv") || !strcmp(token, "hd") || !strcmp(token, "dx")) { Set_Vars_Coord_Type = DEFS->COORD_HDIV; strcpy(Set_Vars_Coord_Label,"Hor. Divergence [deg]"); strcpy(Set_Vars_Coord_Var,"hd"); lmin = -5; lmax = 5; N_spatial_dims++;} if (!strcmp(token, "vdiv") || !strcmp(token, "ydiv") || !strcmp(token, "vd") || !strcmp(token, "dy")) { Set_Vars_Coord_Type = DEFS->COORD_VDIV; strcpy(Set_Vars_Coord_Label,"Vert. Divergence [deg]"); strcpy(Set_Vars_Coord_Var,"vd"); lmin = -5; lmax = 5; N_spatial_dims++;} if (!strcmp(token, "theta") || !strcmp(token, "longitude") || !strcmp(token, "th")) { Set_Vars_Coord_Type = DEFS->COORD_THETA; strcpy(Set_Vars_Coord_Label,"Longitude [deg]"); strcpy(Set_Vars_Coord_Var,"th"); lmin = -180; lmax = 180; N_spatial_dims++;} if (!strcmp(token, "phi") || !strcmp(token, "latitude") || !strcmp(token, "ph")) { Set_Vars_Coord_Type = DEFS->COORD_PHI; strcpy(Set_Vars_Coord_Label,"Latitude [deg]"); strcpy(Set_Vars_Coord_Var,"ph"); lmin = -90; lmax = 90; N_spatial_dims++;} if (!strcmp(token, "ncounts") || !strcmp(token, "n") || !strcmp(token, "neutron")) { Set_Vars_Coord_Type = DEFS->COORD_NCOUNT; strcpy(Set_Vars_Coord_Label,"Neutron ID [1]"); strcpy(Set_Vars_Coord_Var,"n"); lmin = 0; lmax = mcget_ncount(); if (Flag_auto>0) Flag_auto=0; } if (!strcmp(token, "id") || !strcmp(token, "pixel")) { Set_Vars_Coord_Type = DEFS->COORD_PIXELID; strcpy(Set_Vars_Coord_Label,"Pixel ID [1]"); strcpy(Set_Vars_Coord_Var,"id"); lmin = 0; lmax = FLT_MAX; if (Flag_auto>0) Flag_auto=0; Vars->Flag_List = 1; } if (!strcmp(token, "user") || !strcmp(token, "user1") || !strcmp(token, "u1")) { Set_Vars_Coord_Type = DEFS->COORD_USER1; strncpy(Set_Vars_Coord_Label,Vars->UserName1,30); strcpy(Set_Vars_Coord_Var,"U1"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "user2") || !strcmp(token, "u2")) { Set_Vars_Coord_Type = DEFS->COORD_USER2; strncpy(Set_Vars_Coord_Label,Vars->UserName2,30); strcpy(Set_Vars_Coord_Var,"U2"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "user3") || !strcmp(token, "u3")) { Set_Vars_Coord_Type = DEFS->COORD_USER3; strncpy(Set_Vars_Coord_Label,Vars->UserName3,30); strcpy(Set_Vars_Coord_Var,"U3"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "userdouble0") || !strcmp(token, "ud0")) { Set_Vars_Coord_Type = DEFS->COORD_USERDOUBLE0; strcpy(Set_Vars_Coord_Label,"ud0 [1]"); strcpy(Set_Vars_Coord_Var,"ud0"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "userdouble1") || !strcmp(token, "ud1")) { Set_Vars_Coord_Type = DEFS->COORD_USERDOUBLE1; strcpy(Set_Vars_Coord_Label,"ud1 [1]"); strcpy(Set_Vars_Coord_Var,"ud1"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "userdouble2") || !strcmp(token, "ud2")) { Set_Vars_Coord_Type = DEFS->COORD_USERDOUBLE2; strcpy(Set_Vars_Coord_Label,"ud2 [1]"); strcpy(Set_Vars_Coord_Var,"ud2"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "userdouble3") || !strcmp(token, "ud3")) { Set_Vars_Coord_Type = DEFS->COORD_USERDOUBLE3; strcpy(Set_Vars_Coord_Label,"ud3 [1]"); strcpy(Set_Vars_Coord_Var,"ud3"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "userdouble4") || !strcmp(token, "ud4")) { Set_Vars_Coord_Type = DEFS->COORD_USERDOUBLE4; strcpy(Set_Vars_Coord_Label,"ud4 [1]"); strcpy(Set_Vars_Coord_Var,"ud4"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "userdouble5") || !strcmp(token, "ud5")) { Set_Vars_Coord_Type = DEFS->COORD_USERDOUBLE5; strcpy(Set_Vars_Coord_Label,"ud5 [1]"); strcpy(Set_Vars_Coord_Var,"ud5"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "userdouble6") || !strcmp(token, "ud6")) { Set_Vars_Coord_Type = DEFS->COORD_USERDOUBLE6; strcpy(Set_Vars_Coord_Label,"ud6 [1]"); strcpy(Set_Vars_Coord_Var,"ud6"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "userdouble7") || !strcmp(token, "ud7")) { Set_Vars_Coord_Type = DEFS->COORD_USERDOUBLE7; strcpy(Set_Vars_Coord_Label,"ud7 [1]"); strcpy(Set_Vars_Coord_Var,"ud7"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "userdouble8") || !strcmp(token, "ud8")) { Set_Vars_Coord_Type = DEFS->COORD_USERDOUBLE8; strcpy(Set_Vars_Coord_Label,"ud8 [1]"); strcpy(Set_Vars_Coord_Var,"ud8"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "userdouble9") || !strcmp(token, "ud9")) { Set_Vars_Coord_Type = DEFS->COORD_USERDOUBLE9; strcpy(Set_Vars_Coord_Label,"ud9 [1]"); strcpy(Set_Vars_Coord_Var,"ud9"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "userdouble10") || !strcmp(token, "ud10")) { Set_Vars_Coord_Type = DEFS->COORD_USERDOUBLE10; strcpy(Set_Vars_Coord_Label,"ud10 [1]"); strcpy(Set_Vars_Coord_Var,"ud10"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "userdouble11") || !strcmp(token, "ud11")) { Set_Vars_Coord_Type = DEFS->COORD_USERDOUBLE11; strcpy(Set_Vars_Coord_Label,"ud11 [1]"); strcpy(Set_Vars_Coord_Var,"ud11"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "userdouble12") || !strcmp(token, "ud12")) { Set_Vars_Coord_Type = DEFS->COORD_USERDOUBLE12; strcpy(Set_Vars_Coord_Label,"ud12 [1]"); strcpy(Set_Vars_Coord_Var,"ud12"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "userdouble13") || !strcmp(token, "ud13")) { Set_Vars_Coord_Type = DEFS->COORD_USERDOUBLE13; strcpy(Set_Vars_Coord_Label,"ud13 [1]"); strcpy(Set_Vars_Coord_Var,"ud13"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "userdouble14") || !strcmp(token, "ud14")) { Set_Vars_Coord_Type = DEFS->COORD_USERDOUBLE14; strcpy(Set_Vars_Coord_Label,"ud14 [1]"); strcpy(Set_Vars_Coord_Var,"ud14"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "userdouble15") || !strcmp(token, "ud15")) { Set_Vars_Coord_Type = DEFS->COORD_USERDOUBLE15; strcpy(Set_Vars_Coord_Label,"ud15 [1]"); strcpy(Set_Vars_Coord_Var,"ud15"); lmin = -1e10; lmax = 1e10; } /* now stores variable keywords detected, if any */ if (Set_Vars_Coord_Type != DEFS->COORD_NONE) { int Coord_Number = Vars->Coord_Number; if (Vars->Flag_log) { Set_Vars_Coord_Type |= DEFS->COORD_LOG; Vars->Flag_log = 0; } if (Flag_abs) { Set_Vars_Coord_Type |= DEFS->COORD_ABS; Flag_abs = 0; } if (Flag_auto != 0) { Set_Vars_Coord_Type |= DEFS->COORD_AUTO; if (Flag_auto > 0) Flag_auto = 0; } if (Set_Coord_Mode == DEFS->COORD_SIGNAL) { Coord_Number = 0; Vars->Flag_signal = Set_Vars_Coord_Type; } else { if (Coord_Number < MONnD_COORD_NMAX) { Coord_Number++; Vars->Coord_Number = Coord_Number; if (Set_Vars_Coord_Type != DEFS->COORD_PIXELID) Vars->Coord_NumberNoPixel++; } else if (Vars->Flag_Verbose) printf("Monitor_nD: %s reached max number of variables (%i).\n", Vars->compcurname, MONnD_COORD_NMAX); } Vars->Coord_Type[Coord_Number] = Set_Vars_Coord_Type; strncpy(Vars->Coord_Label[Coord_Number], Set_Vars_Coord_Label,30); strncpy(Vars->Coord_Var[Coord_Number], Set_Vars_Coord_Var,30); if (lmin > lmax) { XY = lmin; lmin=lmax; lmax = XY; } Vars->Coord_Min[Coord_Number] = lmin; Vars->Coord_Max[Coord_Number] = lmax; if (Set_Vars_Coord_Type == DEFS->COORD_NCOUNT || Set_Vars_Coord_Type == DEFS->COORD_PIXELID || Set_Vars_Coord_Type == DEFS->COORD_SIGNAL) Vars->Coord_Bin[Coord_Number] = 1; else Vars->Coord_Bin[Coord_Number] = 20; Set_Coord_Mode = DEFS->COORD_VAR; Flag_All = 0; Flag_No = 0; } else { /* no variable name could be read from options */ if (!iskeyword) { if (strcmp(token, "cm2") && strcmp(token, "incoming") && strcmp(token, "outgoing") && strcmp(token, "cm2") && strcmp(token, "cm^2") && strcmp(token, "float") && strcmp(token, "double") && strcmp(token, "binary") && strcmp(token, "steradian") && Vars->Flag_Verbose) printf("Monitor_nD: %s: unknown '%s' keyword in 'options'. Ignoring.\n", Vars->compcurname, token); } } carg++; } /* end if token */ } /* end while carg */ /* Handle nexusbins information */ /* Case 1, list mode and not disabled i.e. >-1 */ if (Vars->Flag_List && nexusbins>-1) Vars->Flag_nexusbins=1; /* Case 2, NOT list mode and enabled i.e. ==1 */ if (!Vars->Flag_List && nexusbins==1) Vars->Flag_nexusbins=1; free(option_copy); if (carg == 128) printf("Monitor_nD: %s reached max number of tokens (%i). Skipping.\n", Vars->compcurname, 128); if ((Vars->Flag_Shape == DEFS->SHAPE_BOX) && (fabs(Vars->mzmax - Vars->mzmin) == 0)) Vars->Flag_Shape = DEFS->SHAPE_SQUARE; if (Vars->Flag_log == 1) Vars->Coord_Type[0] |= DEFS->COORD_LOG; if (Vars->Coord_Number == 0) { Vars->Flag_Auto_Limits=0; Vars->Flag_Multiple=0; Vars->Flag_List=0; } /* now setting Monitor Name from variable labels */ strcpy(Vars->Monitor_Label,""); XY = 1; /* will contain total bin number */ for (i = 0; i <= Vars->Coord_Number; i++) { if (Flag_auto != 0) Vars->Coord_Type[i] |= DEFS->COORD_AUTO; Set_Vars_Coord_Type = (Vars->Coord_Type[i] & (DEFS->COORD_LOG-1)); if ((Set_Vars_Coord_Type == DEFS->COORD_X) || (Set_Vars_Coord_Type == DEFS->COORD_Y) || (Set_Vars_Coord_Type == DEFS->COORD_Z)) strcpy(Short_Label[i],"Position"); else if ((Set_Vars_Coord_Type == DEFS->COORD_THETA) || (Set_Vars_Coord_Type == DEFS->COORD_PHI) || (Set_Vars_Coord_Type == DEFS->COORD_ANGLE)) strcpy(Short_Label[i],"Angle"); else if ((Set_Vars_Coord_Type == DEFS->COORD_XY) || (Set_Vars_Coord_Type == DEFS->COORD_XZ) || (Set_Vars_Coord_Type == DEFS->COORD_YZ) || (Set_Vars_Coord_Type == DEFS->COORD_RADIUS)) strcpy(Short_Label[i],"Radius"); else if ((Set_Vars_Coord_Type == DEFS->COORD_VX) || (Set_Vars_Coord_Type == DEFS->COORD_VY) || (Set_Vars_Coord_Type == DEFS->COORD_VZ) || (Set_Vars_Coord_Type == DEFS->COORD_V) || (Set_Vars_Coord_Type == DEFS->COORD_VXY) || (Set_Vars_Coord_Type == DEFS->COORD_VYZ) || (Set_Vars_Coord_Type == DEFS->COORD_VXZ)) strcpy(Short_Label[i],"Velocity"); else if ((Set_Vars_Coord_Type == DEFS->COORD_KX) || (Set_Vars_Coord_Type == DEFS->COORD_KY) || (Set_Vars_Coord_Type == DEFS->COORD_KZ) || (Set_Vars_Coord_Type == DEFS->COORD_KXY) || (Set_Vars_Coord_Type == DEFS->COORD_KYZ) || (Set_Vars_Coord_Type == DEFS->COORD_KXZ) || (Set_Vars_Coord_Type == DEFS->COORD_K)) strcpy(Short_Label[i],"Wavevector"); else if ((Set_Vars_Coord_Type == DEFS->COORD_SX) || (Set_Vars_Coord_Type == DEFS->COORD_SY) || (Set_Vars_Coord_Type == DEFS->COORD_SZ)) strcpy(Short_Label[i],"Spin"); else if ((Set_Vars_Coord_Type == DEFS->COORD_HDIV) || (Set_Vars_Coord_Type == DEFS->COORD_VDIV)) strcpy(Short_Label[i],"Divergence"); else if (Set_Vars_Coord_Type == DEFS->COORD_ENERGY) strcpy(Short_Label[i],"Energy"); else if (Set_Vars_Coord_Type == DEFS->COORD_LAMBDA) strcpy(Short_Label[i],"Wavelength"); else if (Set_Vars_Coord_Type == DEFS->COORD_NCOUNT) strcpy(Short_Label[i],"Neutron_ID"); else if (Set_Vars_Coord_Type == DEFS->COORD_PIXELID) strcpy(Short_Label[i],"Pixel_ID"); else if (Set_Vars_Coord_Type == DEFS->COORD_T) strcpy(Short_Label[i],"Time_Of_Flight"); else if (Set_Vars_Coord_Type == DEFS->COORD_P) strcpy(Short_Label[i],"Intensity"); else if (Set_Vars_Coord_Type == DEFS->COORD_USER1) strncpy(Short_Label[i],Vars->UserName1,30); else if (Set_Vars_Coord_Type == DEFS->COORD_USER2) strncpy(Short_Label[i],Vars->UserName2,30); else if (Set_Vars_Coord_Type == DEFS->COORD_USER3) strncpy(Short_Label[i],Vars->UserName3,30); else strcpy(Short_Label[i],"Unknown"); if (Vars->Coord_Type[i] & DEFS->COORD_ABS) { strcat(Vars->Coord_Label[i]," (abs)"); } if (Vars->Coord_Type[i] & DEFS->COORD_LOG) { strcat(Vars->Coord_Label[i]," (log)"); } strcat(Vars->Monitor_Label, " "); strcat(Vars->Monitor_Label, Short_Label[i]); XY *= Vars->Coord_Bin[i]; } /* end for Short_Label */ if ((Vars->Coord_Type[0] & (DEFS->COORD_LOG-1)) == DEFS->COORD_P) { strncat(Vars->Coord_Label[0], " [n/s", 30); if (Vars->Flag_per_cm2) strncat(Vars->Coord_Label[0], "/cm2", 30); if (XY > 1 && Vars->Coord_Number) strncat(Vars->Coord_Label[0], "/bin", 30); strncat(Vars->Coord_Label[0], "]", 30); } /* update label 'signal per bin' if more than 1 bin */ if (XY > 1 && Vars->Coord_Number) { if (Vars->Flag_capture) printf("Monitor_nD: %s: Using capture flux weightening on %ld bins.\n" "WARNING Use binned data with caution, and prefer monitor integral value (I,Ierr).\n", Vars->compcurname, (long)XY); } strcat(Vars->Monitor_Label, " Monitor"); if (Vars->Flag_Shape == DEFS->SHAPE_SQUARE) strcat(Vars->Monitor_Label, " (Square)"); if (Vars->Flag_Shape == DEFS->SHAPE_DISK) strcat(Vars->Monitor_Label, " (Disk)"); if (Vars->Flag_Shape == DEFS->SHAPE_SPHERE) strcat(Vars->Monitor_Label, " (Sphere)"); if (Vars->Flag_Shape == DEFS->SHAPE_CYLIND) strcat(Vars->Monitor_Label, " (Cylinder)"); if (Vars->Flag_Shape == DEFS->SHAPE_BANANA) strcat(Vars->Monitor_Label, " (Banana)"); if (Vars->Flag_Shape == DEFS->SHAPE_BOX) strcat(Vars->Monitor_Label, " (Box)"); if (Vars->Flag_Shape == DEFS->SHAPE_PREVIOUS) strcat(Vars->Monitor_Label, " (on PREVIOUS)"); if (Vars->Flag_Shape == DEFS->SHAPE_OFF) strcat(Vars->Monitor_Label, " (OFF geometry)"); if ((Vars->Flag_Shape == DEFS->SHAPE_CYLIND) || (Vars->Flag_Shape == DEFS->SHAPE_BANANA) || (Vars->Flag_Shape == DEFS->SHAPE_SPHERE) || (Vars->Flag_Shape == DEFS->SHAPE_BOX)) { if (strstr(Vars->option, "incoming")) { Vars->Flag_Shape = abs(Vars->Flag_Shape); strcat(Vars->Monitor_Label, " [in]"); } else /* if strstr(Vars->option, "outgoing")) */ { Vars->Flag_Shape = -abs(Vars->Flag_Shape); strcat(Vars->Monitor_Label, " [out]"); } } if (Vars->Flag_UsePreMonitor == 1) { strcat(Vars->Monitor_Label, " at "); strncat(Vars->Monitor_Label, Vars->UserName1,30); } if (Vars->Flag_log == 1) strcat(Vars->Monitor_Label, " [log] "); /* now allocate memory to store variables in TRACE */ /* Vars->Coord_Number 0 : intensity or signal * Vars->Coord_Number 1:n : detector variables */ if ((Vars->Coord_NumberNoPixel != 2) && !Vars->Flag_Multiple && !Vars->Flag_List) { Vars->Flag_Multiple = 1; /* default is n1D */ if (Vars->Coord_Number != Vars->Coord_NumberNoPixel) Vars->Flag_List = 1; } /* list and auto limits case : Vars->Flag_List or Vars->Flag_Auto_Limits * -> Buffer to flush and suppress after Vars->Flag_Auto_Limits */ if ((Vars->Flag_Auto_Limits || Vars->Flag_List) && Vars->Coord_Number) { /* Dim : (Vars->Coord_Number+1)*Vars->Buffer_Block matrix (for p, dp) */ Vars->Mon2D_Buffer = (double *)malloc((Vars->Coord_Number+1)*Vars->Buffer_Block*sizeof(double)); if (Vars->Mon2D_Buffer == NULL) { printf("Monitor_nD: %s cannot allocate Vars->Mon2D_Buffer (%zi). No list and auto limits.\n", Vars->compcurname, Vars->Buffer_Block*(Vars->Coord_Number+1)*sizeof(double)); Vars->Flag_List = 0; Vars->Flag_Auto_Limits = 0; } else { for (i=0; i < (Vars->Coord_Number+1)*Vars->Buffer_Block; Vars->Mon2D_Buffer[i++] = (double)0); } Vars->Buffer_Size = Vars->Buffer_Block; } /* 1D and n1D case : Vars->Flag_Multiple */ if (Vars->Flag_Multiple && Vars->Coord_NumberNoPixel) { /* Dim : Vars->Coord_Number*Vars->Coord_Bin[i] vectors */ Vars->Mon2D_N = (double **)malloc((Vars->Coord_Number)*sizeof(double *)); Vars->Mon2D_p = (double **)malloc((Vars->Coord_Number)*sizeof(double *)); Vars->Mon2D_p2 = (double **)malloc((Vars->Coord_Number)*sizeof(double *)); if ((Vars->Mon2D_N == NULL) || (Vars->Mon2D_p == NULL) || (Vars->Mon2D_p2 == NULL)) { fprintf(stderr,"Monitor_nD: %s n1D cannot allocate Vars->Mon2D_N/p/p2 (%zi). Fatal.\n", Vars->compcurname, (Vars->Coord_Number)*sizeof(double *)); exit(-1); } for (i= 1; i <= Vars->Coord_Number; i++) { Vars->Mon2D_N[i-1] = (double *)malloc(Vars->Coord_Bin[i]*sizeof(double)); Vars->Mon2D_p[i-1] = (double *)malloc(Vars->Coord_Bin[i]*sizeof(double)); Vars->Mon2D_p2[i-1] = (double *)malloc(Vars->Coord_Bin[i]*sizeof(double)); if ((Vars->Mon2D_N == NULL) || (Vars->Mon2D_p == NULL) || (Vars->Mon2D_p2 == NULL)) { fprintf(stderr,"Monitor_nD: %s n1D cannot allocate %s Vars->Mon2D_N/p/p2[%li] (%zi). Fatal.\n", Vars->compcurname, Vars->Coord_Var[i], i, (Vars->Coord_Bin[i])*sizeof(double *)); exit(-1); } else { for (j=0; j < Vars->Coord_Bin[i]; j++ ) { Vars->Mon2D_N[i-1][j] = (double)0; Vars->Mon2D_p[i-1][j] = (double)0; Vars->Mon2D_p2[i-1][j] = (double)0; } } } } else /* 2D case : Vars->Coord_Number==2 and !Vars->Flag_Multiple and !Vars->Flag_List */ if ((Vars->Coord_NumberNoPixel == 2) && !Vars->Flag_Multiple) { /* Dim : Vars->Coord_Bin[1]*Vars->Coord_Bin[2] matrix */ Vars->Mon2D_N = (double **)malloc((Vars->Coord_Bin[1])*sizeof(double *)); Vars->Mon2D_p = (double **)malloc((Vars->Coord_Bin[1])*sizeof(double *)); Vars->Mon2D_p2 = (double **)malloc((Vars->Coord_Bin[1])*sizeof(double *)); if ((Vars->Mon2D_N == NULL) || (Vars->Mon2D_p == NULL) || (Vars->Mon2D_p2 == NULL)) { fprintf(stderr,"Monitor_nD: %s 2D cannot allocate %s Vars->Mon2D_N/p/p2 (%zi). Fatal.\n", Vars->compcurname, Vars->Coord_Var[1], (Vars->Coord_Bin[1])*sizeof(double *)); exit(-1); } for (i= 0; i < Vars->Coord_Bin[1]; i++) { Vars->Mon2D_N[i] = (double *)malloc(Vars->Coord_Bin[2]*sizeof(double)); Vars->Mon2D_p[i] = (double *)malloc(Vars->Coord_Bin[2]*sizeof(double)); Vars->Mon2D_p2[i] = (double *)malloc(Vars->Coord_Bin[2]*sizeof(double)); if ((Vars->Mon2D_N == NULL) || (Vars->Mon2D_p == NULL) || (Vars->Mon2D_p2 == NULL)) { fprintf(stderr,"Monitor_nD: %s 2D cannot allocate %s Vars->Mon2D_N/p/p2[%li] (%zi). Fatal.\n", Vars->compcurname, Vars->Coord_Var[1], i, (Vars->Coord_Bin[2])*sizeof(double *)); exit(-1); } else { for (j=0; j < Vars->Coord_Bin[2]; j++ ) { Vars->Mon2D_N[i][j] = (double)0; Vars->Mon2D_p[i][j] = (double)0; Vars->Mon2D_p2[i][j] = (double)0; } } } } else { Vars->Mon2D_N = Vars->Mon2D_p = Vars->Mon2D_p2 = NULL; } /* no Mon2D allocated for * (Vars->Coord_Number != 2) && !Vars->Flag_Multiple && Vars->Flag_List */ Vars->psum = 0; Vars->p2sum = 0; Vars->Nsum = 0; Vars->area = fabs(Vars->mxmax - Vars->mxmin)*fabs(Vars->mymax - Vars->mymin)*1E4; /* in cm**2 for square and box shapes */ Vars->Sphere_Radius = fabs(Vars->mxmax - Vars->mxmin)/2; if ((abs(Vars->Flag_Shape) == DEFS->SHAPE_DISK) || (abs(Vars->Flag_Shape) == DEFS->SHAPE_SPHERE)) { Vars->area = PI*Vars->Sphere_Radius*Vars->Sphere_Radius*1E4; /* disk shapes */ } if (Vars->area == 0 && abs(Vars->Flag_Shape) != DEFS->SHAPE_PREVIOUS ) { if (abs(Vars->Flag_Shape) != DEFS->SHAPE_OFF) { Vars->Coord_Number = 0; } } if (Vars->Coord_Number == 0 && Vars->Flag_Verbose) printf("Monitor_nD: %s is inactivated (0D)\n", Vars->compcurname); Vars->Cylinder_Height = fabs(Vars->mymax - Vars->mymin); if (Vars->Flag_Verbose) { printf("Monitor_nD: %s is a %s.\n", Vars->compcurname, Vars->Monitor_Label); printf("Monitor_nD: version %s with options=%s\n", MONITOR_ND_LIB_H, Vars->option); } /* compute the product of bin dimensions for PixelID */ Vars->Coord_BinProd[0]=1; for (i = 1; i <= Vars->Coord_Number; i++) { Vars->Coord_BinProd[i]=Vars->Coord_Bin[i]*Vars->Coord_BinProd[i-1]; } #ifdef USE_NEXUS #ifdef USE_MPI if(mpi_node_rank == mpi_node_root) { #endif if(nxhandle) { /* This section of code writes detector shape information to entryN/instrument/components/'name'/geometry in the NeXus file */ char nexuscomp[CHAR_BUF_LENGTH]; char pref[5]; if (Vars->compcurindex-1 < 10) { sprintf(pref,"000"); } else if (Vars->compcurindex-1 < 100) { sprintf(pref,"00"); } else if (Vars->compcurindex-1 < 1000) { sprintf(pref,"0"); } else if (Vars->compcurindex-1 < 10000) { sprintf(pref,""); } else { fprintf(stderr,"Error, no support for > 10000 comps at the moment!\n"); exit(-1); } sprintf(nexuscomp,"%s%d_%s",pref,Vars->compcurindex-1,Vars->compcurname); if (NXopengroup(nxhandle, "instrument", "NXinstrument") == NX_OK) { if (NXopengroup(nxhandle, "components", "NXdata") == NX_OK) { if (NXopengroup(nxhandle, nexuscomp, "NXdata") == NX_OK) { if (NXmakegroup(nxhandle, "Geometry", "NXdata") == NX_OK) { if (NXopengroup(nxhandle, "Geometry", "NXdata") == NX_OK) { char tmp[CHAR_BUF_LENGTH]; sprintf(tmp,"%g",Vars->Sphere_Radius); nxprintattr(nxhandle, "radius", tmp); sprintf(tmp,"%g",Vars->Cylinder_Height); nxprintattr(nxhandle, "height", tmp); sprintf(tmp,"%g",Vars->mxmin); nxprintattr(nxhandle, "xmin", tmp); sprintf(tmp,"%g",Vars->mxmax); nxprintattr(nxhandle, "xmax", tmp); sprintf(tmp,"%g",Vars->mymin); nxprintattr(nxhandle, "ymin", tmp); sprintf(tmp,"%g",Vars->mymax); nxprintattr(nxhandle, "ymax", tmp); sprintf(tmp,"%g",Vars->mzmin); nxprintattr(nxhandle, "zmin", tmp); sprintf(tmp,"%g",Vars->mzmax); nxprintattr(nxhandle, "zmax", tmp); sprintf(tmp,"%g",Vars->mzmin); nxprintattr(nxhandle, "zmin", tmp); sprintf(tmp,"%g",Vars->mzmax); nxprintattr(nxhandle, "zmax", tmp); sprintf(tmp,"%i",Vars->Flag_Shape); nxprintattr(nxhandle, "Shape identifier", tmp); sprintf(tmp,"%s",Vars->Monitor_Label); nxprintattr(nxhandle, "Shape string", tmp); sprintf(tmp,"%s",Vars->option); nxprintattr(nxhandle, "Option string", tmp); NXclosegroup(nxhandle); // Geometry } else { printf("Failed to open component NeXus component Geometry group\n"); } } else { printf("Failed to create component NeXus component Geometry group\n"); } NXclosegroup(nxhandle); // component } NXclosegroup(nxhandle); // components } else { printf("Failed to open NeXus component hierarchy\n"); } NXclosegroup(nxhandle); // instrument } if (Vars->Flag_nexusbins) { /* Below code communicates geometry-oriented "BINS" for the detector. */ char metadata[CHAR_BUF_LENGTH]; char metadatatmp[CHAR_BUF_LENGTH]; // Vars for 1D, >3D, OFF long numbins; long minbins = 0; long maxbins = 0; char binlabel[CHAR_BUF_LENGTH]; char binvar[CHAR_BUF_LENGTH]; sprintf(binlabel,"none"); sprintf(binvar,"none"); // Find index of pixel column int id_index; for (id_index=0;id_index<30;id_index++) { if (strcmp(Vars->Coord_Var[id_index], "id") == 0) break; } if (id_index == 30) id_index = Vars->Coord_Number-1; // Revert to earlier behavior is id not found long pix=Vars->Coord_Min[id_index]; MCDETECTOR detector; /* Init - perhaps better with an init-function in mccode-r? */ detector.m = 0; detector.xmin = 0; detector.xmax = 0; detector.ymin = 0; detector.ymax = 0; detector.zmin = 0; detector.zmax = 0; detector.intensity = 0; detector.error = 0; detector.events = 0; detector.min = 0; detector.max = 0; detector.mean = 0; detector.centerX = 0; detector.halfwidthX = 0; detector.centerY = 0; detector.halfwidthY = 0; detector.rank = 0; detector.istransposed = 0; detector.n = 0; detector.p = 0; detector.date_l = 0; detector.p0 = NULL; detector.p1 = NULL; detector.p2 = NULL; sprintf(detector.filename,"BINS"); sprintf(detector.component,"%s",Vars->compcurname); sprintf(detector.nexuscomp,"%s%d_%s",pref,Vars->compcurindex-1,detector.component); sprintf(detector.format,"pixels"); if(!Vars->Flag_OFF) { sprintf(metadata,"id=%ld + %ld pixels: ",(long)Vars->Coord_Min[id_index],(long)Vars->Coord_BinProd[Vars->Coord_Number]); for (i=1; iCoord_Label[i],Vars->Coord_Bin[i]); sprintf(metadata,"%s",metadatatmp); } sprintf(metadatatmp,"%s %s (%ld bins)",metadata,Vars->Coord_Label[i],Vars->Coord_Bin[i]); sprintf(metadata,"%s",metadatatmp); numbins = Vars->Coord_BinProd[Vars->Coord_Number]; if (N_spatial_dims==1) { minbins=Vars->Coord_Min[1]; maxbins=Vars->Coord_Max[1]; sprintf(binlabel,"%s",Vars->Coord_Label[1]); sprintf(binvar,"%s",Vars->Coord_Var[1]); } else if (N_spatial_dims>3) { minbins=1; maxbins=Vars->Coord_BinProd[Vars->Coord_Number]; sprintf(binlabel,"More than 3 dimensions"); sprintf(binvar,"wrapped_variables_4plus_dims"); N_spatial_dims=1; } sprintf(detector.xlabel,"%s",binlabel); sprintf(detector.xvar,"%s",binvar); detector.xmin=minbins; detector.xmax=maxbins; } else { numbins = Vars->Flag_OFF; minbins=1; maxbins=Vars->Flag_OFF; sprintf(binlabel,"OFF pixel index"); sprintf(binvar,"OFF"); N_spatial_dims=1; sprintf(detector.xlabel,"%s",binlabel); sprintf(detector.xvar,"%s",binvar); detector.xmin=minbins; detector.xmax=maxbins; } long k,l,m; if (N_spatial_dims==1) { // 1D case or ND detector.m=numbins; detector.n=1; detector.p=1; detector.rank=1; detector.p0=(double *)calloc(numbins, sizeof(double)); detector.p1=(double *)calloc(numbins, sizeof(double)); detector.p2=(double *)calloc(numbins, sizeof(double)); if (Vars->Flag_Verbose) printf("1D case %ld \n",Vars->Coord_Bin[1]); for (k=0; kFlag_Verbose) printf("Assigning pixel no [%ld] = %ld\n",k,pix); detector.p1[k]=pix; pix++; } mcdetector_out_1D_nexus(detector); free(detector.p0); free(detector.p1); free(detector.p2); } else if (N_spatial_dims==2) { // 2D case detector.m=Vars->Coord_Bin[1]; detector.n=Vars->Coord_Bin[2]; detector.p=1; detector.rank=2; sprintf(detector.xlabel,"%s",Vars->Coord_Label[1]); sprintf(detector.xvar,"%s",Vars->Coord_Var[1]); detector.xmin=Vars->Coord_Min[1]; detector.xmax=Vars->Coord_Max[1]; sprintf(detector.ylabel,"%s",Vars->Coord_Label[2]); sprintf(detector.yvar,"%s",Vars->Coord_Var[2]); detector.ymin=Vars->Coord_Min[2]; detector.ymax=Vars->Coord_Max[2]; detector.p0=(double *)calloc(Vars->Coord_BinProd[Vars->Coord_Number], sizeof(double)); detector.p1=(double *)calloc(Vars->Coord_BinProd[Vars->Coord_Number], sizeof(double)); detector.p2=(double *)calloc(Vars->Coord_BinProd[Vars->Coord_Number], sizeof(double)); if (Vars->Flag_Verbose) printf("2D case %ld x %ld \n",Vars->Coord_Bin[1],Vars->Coord_Bin[2]); for (k=0; kCoord_Bin[1]; k++) { for (l=0; lCoord_Bin[2]; l++) { if (Vars->Flag_Verbose) printf("Assigning pixel no [%ld,%ld] = %ld\n",l,k,pix); detector.p1[k*Vars->Coord_Bin[2]+l]=pix; pix++; } } mcdetector_out_2D_nexus(detector); free(detector.p0); free(detector.p1); free(detector.p2); } else if (N_spatial_dims==3) { // 3D case detector.m=Vars->Coord_Bin[1]; detector.n=Vars->Coord_Bin[2]; detector.p=Vars->Coord_Bin[3];; detector.rank=3; sprintf(detector.xlabel,"%s",Vars->Coord_Label[1]); sprintf(detector.xvar,"%s",Vars->Coord_Var[1]); detector.xmin=Vars->Coord_Min[1]; detector.xmax=Vars->Coord_Max[1]; sprintf(detector.ylabel,"%s",Vars->Coord_Label[2]); sprintf(detector.yvar,"%s",Vars->Coord_Var[2]); detector.ymin=Vars->Coord_Min[2]; detector.ymax=Vars->Coord_Max[2]; sprintf(detector.zlabel,"%s",Vars->Coord_Label[3]); sprintf(detector.zvar,"%s",Vars->Coord_Var[3]); detector.zmin=Vars->Coord_Min[3]; detector.zmax=Vars->Coord_Max[3]; detector.p0=(double *)calloc(Vars->Coord_BinProd[Vars->Coord_Number], sizeof(double)); detector.p1=(double *)calloc(Vars->Coord_BinProd[Vars->Coord_Number], sizeof(double)); detector.p2=(double *)calloc(Vars->Coord_BinProd[Vars->Coord_Number], sizeof(double)); if (Vars->Flag_Verbose) printf("3D case %ld x %ld x %ld \n",Vars->Coord_Bin[1],Vars->Coord_Bin[2],Vars->Coord_Bin[3]); for (k=0; kCoord_Bin[1]; k++) { for (l=0; lCoord_Bin[2]; l++) { for (m=0; mCoord_Bin[3]; m++) { if (Vars->Flag_Verbose) printf("Assigning pixel no [%ld,%ld,%ld] = %ld\n",m,l,k,pix); detector.p1[k*Vars->Coord_Bin[2]*Vars->Coord_Bin[3] + l*Vars->Coord_Bin[3] + m]=pix; pix++; } } } mcdetector_out_3D_nexus(detector); free(detector.p0); free(detector.p1); free(detector.p2); } } // Flag_nexusbins active } // nxhandle available #ifdef USE_MPI } // Master only #endif #endif // USE_NEXUS } /* end Monitor_nD_Init */ /* ========================================================================= */ /* Monitor_nD_Trace: this routine is used to monitor one propagating neutron */ /* return values: 0=neutron was absorbed, -1=neutron was outside bounds, 1=neutron was measured*/ /* ========================================================================= */ int Monitor_nD_Trace(MonitornD_Defines_type *DEFS, MonitornD_Variables_type *Vars, _class_particle* _particle) { double XY=0, pp=0; long i =0, j =0; double Coord[MONnD_COORD_NMAX]; long Coord_Index[MONnD_COORD_NMAX]; char While_End =0; long While_Buffer=0; char Set_Vars_Coord_Type = DEFS->COORD_NONE; /* the logic below depends mainly on: Flag_List: 1=store 1 buffer, 2=list all, 3=re-use buffer Flag_Auto_Limits: 0 (no auto limits/list), 1 (store events into Buffer), 2 (re-emit store events) */ /* Vars->Flag_Auto_Limits=1: buffer full, we read the Buffer, and determine min and max bounds */ if ((Vars->Buffer_Counter >= Vars->Buffer_Block) && (Vars->Flag_Auto_Limits == 1) && (Vars->Coord_Number > 0)) { /* auto limits case : get limits in Buffer for each variable */ /* Dim : (Vars->Coord_Number+1)*Vars->Buffer_Block matrix (for p, dp) */ if (Vars->Flag_Verbose) printf("Monitor_nD: %s getting %li Auto Limits from List (%li events) in TRACE.\n", Vars->compcurname, Vars->Coord_Number, Vars->Buffer_Counter); for (i = 1; i <= Vars->Coord_Number; i++) { if (Vars->Coord_Type[i] & DEFS->COORD_AUTO) { Vars->Coord_Min[i] = FLT_MAX; Vars->Coord_Max[i] = -FLT_MAX; for (j = 0; j < Vars->Buffer_Counter; j++) { XY = Vars->Mon2D_Buffer[i+j*(Vars->Coord_Number+1)]; /* scanning variables in Buffer */ if (XY < Vars->Coord_Min[i]) Vars->Coord_Min[i] = XY; if (XY > Vars->Coord_Max[i]) Vars->Coord_Max[i] = XY; } if (Vars->Flag_Verbose) printf(" %s: min=%g max=%g\n", Vars->Coord_Var[i], Vars->Coord_Min[i], Vars->Coord_Max[i]); } } Vars->Flag_Auto_Limits = 2; /* pass to 2nd auto limits step (read Buffer and generate new events to store in histograms) */ } /* end if Flag_Auto_Limits == 1 */ #ifndef OPENACC /* manage realloc for 'list all' if Buffer size exceeded: flush Buffer to file */ if ((Vars->Buffer_Counter >= Vars->Buffer_Block) && (Vars->Flag_List >= 2)) { if (Vars->Buffer_Size >= 1000000 || Vars->Flag_List == 3) { /* save current (possibly append) and re-use Buffer */ Monitor_nD_Save(DEFS, Vars); Vars->Flag_List = 3; Vars->Buffer_Block = Vars->Buffer_Size; Vars->Buffer_Counter = 0; Vars->Neutron_Counter = 0; } else { Vars->Mon2D_Buffer = (double *)realloc(Vars->Mon2D_Buffer, (Vars->Coord_Number+1)*(2*Vars->Buffer_Block)*sizeof(double)); if (Vars->Mon2D_Buffer == NULL) { printf("Monitor_nD: %s cannot reallocate Vars->Mon2D_Buffer[%li] (%zi). Skipping.\n", Vars->compcurname, i, (long int)(2*Vars->Buffer_Block)*sizeof(double)); Vars->Flag_List = 1; } else { Vars->Buffer_Block = 2*Vars->Buffer_Block; Vars->Buffer_Size = Vars->Buffer_Block; } } } /* end if Buffer realloc */ #endif char outsidebounds=0; while (!While_End) { /* we generate Coord[] and Coord_index[] from Buffer (auto limits) or passing neutron */ if ((Vars->Flag_Auto_Limits == 2) && (Vars->Coord_Number > 0)) { /* Vars->Flag_Auto_Limits == 2: read back from Buffer (Buffer is filled or auto limits have been computed) */ if (While_Buffer < Vars->Buffer_Block) { /* first while loop (While_Buffer) */ /* auto limits case : scan Buffer within limits and store in Mon2D */ Coord[0] = pp = Vars->Mon2D_Buffer[While_Buffer*(Vars->Coord_Number+1)]; for (i = 1; i <= Vars->Coord_Number; i++) { /* scanning variables in Buffer */ if (Vars->Coord_Bin[i] <= 1) continue; XY = (Vars->Coord_Max[i]-Vars->Coord_Min[i]); Coord[i] = Vars->Mon2D_Buffer[i+While_Buffer*(Vars->Coord_Number+1)]; if (XY > 0) Coord_Index[i] = floor((Coord[i]-Vars->Coord_Min[i])*Vars->Coord_Bin[i]/XY); else Coord_Index[i] = 0; if (Vars->Flag_With_Borders) { if (Coord_Index[i] < 0) Coord_Index[i] = 0; if (Coord_Index[i] >= Vars->Coord_Bin[i]) Coord_Index[i] = Vars->Coord_Bin[i] - 1; } } /* end for */ /* update the PixelID, we compute it from the previous variables index */ if (Vars->Coord_NumberNoPixel < Vars->Coord_Number) /* there is a Pixel variable */ for (i = 1; i <= Vars->Coord_Number; i++) { char Set_Vars_Coord_Type = (Vars->Coord_Type[i] & (DEFS->COORD_LOG-1)); if (Set_Vars_Coord_Type == DEFS->COORD_PIXELID) { char flag_outside=0; Coord_Index[i] = Coord[i] = 0; for (j= 1; j < i; j++) { /* not for 1D variables with Bin=1 such as PixelID, NCOUNT, Intensity */ if (Vars->Coord_Bin[j] == 1) continue; if (0 > Coord_Index[j] || Coord_Index[j] >= Vars->Coord_Bin[j]) { flag_outside=1; Coord[i] = 0; break; } Coord[i] += Coord_Index[j]*Vars->Coord_BinProd[j-1]; } if (!flag_outside) { Vars->Mon2D_Buffer[i+While_Buffer*(Vars->Coord_Number+1)] = Coord[i]; } } /* end if PixelID */ } While_Buffer++; } /* end if in Buffer */ else /* (While_Buffer >= Vars->Buffer_Block) && (Vars->Flag_Auto_Limits == 2) */ { Vars->Flag_Auto_Limits = 0; if (!Vars->Flag_List) /* free Buffer not needed anymore (no list to output) */ { /* Dim : (Vars->Coord_Number+1)*Vars->Buffer_Block matrix (for p, p2) */ free(Vars->Mon2D_Buffer); Vars->Mon2D_Buffer = NULL; } if (Vars->Flag_Verbose) printf("Monitor_nD: %s flushed %li Auto Limits from List (%li) in TRACE.\n", Vars->compcurname, Vars->Coord_Number, Vars->Buffer_Counter); } } /* if Vars->Flag_Auto_Limits == 2 */ if (Vars->Flag_Auto_Limits != 2 || !Vars->Coord_Number) /* Vars->Flag_Auto_Limits == 0 (no auto limits/list) or 1 (store events into Buffer) */ { /* automatically compute area and steradian solid angle when in AUTO mode */ /* compute the steradian solid angle incoming on the monitor */ double v; double tmp; v=sqrt(_particle->vx*_particle->vx + _particle->vy*_particle->vy + _particle->vz*_particle->vz); tmp=_particle->x; if (Vars->min_x > _particle->x){ #pragma acc atomic write Vars->min_x = tmp; } if (Vars->max_x < _particle->x){ #pragma acc atomic write Vars->max_x = tmp; } tmp=_particle->y; if (Vars->min_y > _particle->y){ #pragma acc atomic write Vars->min_y = tmp; } if (Vars->max_y < _particle->y){ tmp=_particle->y; #pragma acc atomic write Vars->max_y = tmp; } #pragma acc atomic Vars->mean_p = Vars->mean_p + _particle->p; if (v) { tmp=_particle->p*fabs(_particle->vx/v); #pragma acc atomic Vars->mean_dx = Vars->mean_dx + tmp; //_particle->p*fabs(_particle->vx/v); tmp=_particle->p*fabs(_particle->vy/v); #pragma acc atomic Vars->mean_dy = Vars->mean_dy + tmp; //_particle->p*fabs(_particle->vy/v); } for (i = 0; i <= Vars->Coord_Number; i++) { /* handle current neutron : last while */ XY = 0; Set_Vars_Coord_Type = (Vars->Coord_Type[i] & (DEFS->COORD_LOG-1)); /* get values for variables to monitor */ if (Set_Vars_Coord_Type == DEFS->COORD_X) XY = _particle->x; else if (Set_Vars_Coord_Type == DEFS->COORD_Y) XY = _particle->y; else if (Set_Vars_Coord_Type == DEFS->COORD_Z) XY = _particle->z; else if (Set_Vars_Coord_Type == DEFS->COORD_VX) XY = _particle->vx; else if (Set_Vars_Coord_Type == DEFS->COORD_VY) XY = _particle->vy; else if (Set_Vars_Coord_Type == DEFS->COORD_VZ) XY = _particle->vz; else if (Set_Vars_Coord_Type == DEFS->COORD_KX) XY = V2K*_particle->vx; else if (Set_Vars_Coord_Type == DEFS->COORD_KY) XY = V2K*_particle->vy; else if (Set_Vars_Coord_Type == DEFS->COORD_KZ) XY = V2K*_particle->vz; else if (Set_Vars_Coord_Type == DEFS->COORD_SX) XY = _particle->sx; else if (Set_Vars_Coord_Type == DEFS->COORD_SY) XY = _particle->sy; else if (Set_Vars_Coord_Type == DEFS->COORD_SZ) XY = _particle->sz; else if (Set_Vars_Coord_Type == DEFS->COORD_T) XY = _particle->t; else if (Set_Vars_Coord_Type == DEFS->COORD_P) XY = _particle->p; else if (Set_Vars_Coord_Type == DEFS->COORD_USERDOUBLE0) XY = Vars->UserDoubles[0]; else if (Set_Vars_Coord_Type == DEFS->COORD_USERDOUBLE1) XY = Vars->UserDoubles[1]; else if (Set_Vars_Coord_Type == DEFS->COORD_USERDOUBLE2) XY = Vars->UserDoubles[2]; else if (Set_Vars_Coord_Type == DEFS->COORD_USERDOUBLE3) XY = Vars->UserDoubles[3]; else if (Set_Vars_Coord_Type == DEFS->COORD_USERDOUBLE4) XY = Vars->UserDoubles[4]; else if (Set_Vars_Coord_Type == DEFS->COORD_USERDOUBLE5) XY = Vars->UserDoubles[5]; else if (Set_Vars_Coord_Type == DEFS->COORD_USERDOUBLE6) XY = Vars->UserDoubles[6]; else if (Set_Vars_Coord_Type == DEFS->COORD_USERDOUBLE7) XY = Vars->UserDoubles[7]; else if (Set_Vars_Coord_Type == DEFS->COORD_USERDOUBLE8) XY = Vars->UserDoubles[8]; else if (Set_Vars_Coord_Type == DEFS->COORD_USERDOUBLE9) XY = Vars->UserDoubles[9]; else if (Set_Vars_Coord_Type == DEFS->COORD_USERDOUBLE10) XY = Vars->UserDoubles[10]; else if (Set_Vars_Coord_Type == DEFS->COORD_USERDOUBLE11) XY = Vars->UserDoubles[11]; else if (Set_Vars_Coord_Type == DEFS->COORD_USERDOUBLE12) XY = Vars->UserDoubles[12]; else if (Set_Vars_Coord_Type == DEFS->COORD_USERDOUBLE13) XY = Vars->UserDoubles[13]; else if (Set_Vars_Coord_Type == DEFS->COORD_USERDOUBLE14) XY = Vars->UserDoubles[14]; else if (Set_Vars_Coord_Type == DEFS->COORD_USERDOUBLE15) XY = Vars->UserDoubles[15]; else if (Set_Vars_Coord_Type == DEFS->COORD_HDIV) XY = RAD2DEG*atan2(_particle->vx,_particle->vz); else if (Set_Vars_Coord_Type == DEFS->COORD_VDIV) XY = RAD2DEG*atan2(_particle->vy,_particle->vz); else if (Set_Vars_Coord_Type == DEFS->COORD_V) XY = sqrt(_particle->vx*_particle->vx+_particle->vy*_particle->vy+_particle->vz*_particle->vz); else if (Set_Vars_Coord_Type == DEFS->COORD_RADIUS) XY = sqrt(_particle->x*_particle->x+_particle->y*_particle->y+_particle->z*_particle->z); else if (Set_Vars_Coord_Type == DEFS->COORD_XY) XY = sqrt(_particle->x*_particle->x+_particle->y*_particle->y)*(_particle->x > 0 ? 1 : -1); else if (Set_Vars_Coord_Type == DEFS->COORD_YZ) XY = sqrt(_particle->y*_particle->y+_particle->z*_particle->z); else if (Set_Vars_Coord_Type == DEFS->COORD_XZ) XY = sqrt(_particle->x*_particle->x+_particle->z*_particle->z); else if (Set_Vars_Coord_Type == DEFS->COORD_VXY) XY = sqrt(_particle->vx*_particle->vx+_particle->vy*_particle->vy); else if (Set_Vars_Coord_Type == DEFS->COORD_VXZ) XY = sqrt(_particle->vx*_particle->vx+_particle->vz*_particle->vz); else if (Set_Vars_Coord_Type == DEFS->COORD_VYZ) XY = sqrt(_particle->vy*_particle->vy+_particle->vz*_particle->vz); else if (Set_Vars_Coord_Type == DEFS->COORD_K) { XY = sqrt(_particle->vx*_particle->vx+_particle->vy*_particle->vy+_particle->vz*_particle->vz); XY *= V2K; } else if (Set_Vars_Coord_Type == DEFS->COORD_KXY) { XY = sqrt(_particle->vx*_particle->vx+_particle->vy*_particle->vy); XY *= V2K; } else if (Set_Vars_Coord_Type == DEFS->COORD_KXZ) { XY = sqrt(_particle->vx*_particle->vx+_particle->vz*_particle->vz); XY *= V2K; } else if (Set_Vars_Coord_Type == DEFS->COORD_KYZ) { XY = sqrt(_particle->vy*_particle->vy+_particle->vz*_particle->vz); XY *= V2K; } else if (Set_Vars_Coord_Type == DEFS->COORD_ENERGY) { XY = _particle->vx*_particle->vx+_particle->vy*_particle->vy+_particle->vz*_particle->vz; XY *= VS2E; } else if (Set_Vars_Coord_Type == DEFS->COORD_LAMBDA) { XY = sqrt(_particle->vx*_particle->vx+_particle->vy*_particle->vy+_particle->vz*_particle->vz); XY *= V2K; if (XY != 0) XY = 2*PI/XY; } else if (Set_Vars_Coord_Type == DEFS->COORD_NCOUNT) XY = _particle->_uid; else if (Set_Vars_Coord_Type == DEFS->COORD_ANGLE) { XY = sqrt(_particle->vx*_particle->vx+_particle->vy*_particle->vy); if (_particle->vz != 0) XY = RAD2DEG*atan2(XY,_particle->vz)*(_particle->x > 0 ? 1 : -1); else XY = 0; } else if (Set_Vars_Coord_Type == DEFS->COORD_THETA) { if (_particle->z != 0) XY = RAD2DEG*atan2(_particle->x,_particle->z); } else if (Set_Vars_Coord_Type == DEFS->COORD_PHI) { double rr=sqrt(_particle->x*_particle->x+ _particle->y*_particle->y + _particle->z*_particle->z); if (rr != 0) XY = RAD2DEG*asin(_particle->y/rr); } else if (Set_Vars_Coord_Type == DEFS->COORD_USER1) {int fail; XY = particle_getvar(_particle,Vars->UserVariable1,&fail); if(fail) XY=0; } else if (Set_Vars_Coord_Type == DEFS->COORD_USER2) {int fail; XY = particle_getvar(_particle,Vars->UserVariable2,&fail); if(fail) XY=0; } else if (Set_Vars_Coord_Type == DEFS->COORD_USER3) {int fail; XY = particle_getvar(_particle,Vars->UserVariable3,&fail); if(fail) XY=0; } else if (Set_Vars_Coord_Type == DEFS->COORD_PIXELID && !Vars->Flag_Auto_Limits) { /* compute the PixelID from previous coordinates the PixelID is the product of Coord_Index[i] in the detector geometry pixelID = sum( Coord_Index[j]*prod(Vars->Coord_Bin[1:(j-1)]) ) this does not apply when we store events in the buffer as Coord_Index is not set. Then the pixelID will be re-computed during SAVE. */ char flag_outside=0; for (j= 1; j < i; j++) { /* not for 1D variables with Bin=1 such as PixelID, NCOUNT, Intensity */ if (Vars->Coord_Bin[j] <= 1) continue; if (0 > Coord_Index[j] || Coord_Index[j] >= Vars->Coord_Bin[j]) { flag_outside=1; XY=0; break; } XY += Coord_Index[j]*Vars->Coord_BinProd[j-1]; } if (Vars->Flag_mantid && Vars->Flag_OFF && Vars->OFF_polyidx >=0) XY=Vars->OFF_polyidx; if (!flag_outside) XY += Vars->Coord_Min[i]; } /* handle 'abs' and 'log' keywords */ if (Vars->Coord_Type[i] & DEFS->COORD_ABS) XY=fabs(XY); if (Vars->Coord_Type[i] & DEFS->COORD_LOG) /* compute log of variable if requested */ { if (XY > 0) XY = log(XY)/log(10); else XY = -100; } Coord[i] = XY; Coord_Index[i] = 0; if (i == 0) { pp = XY; Coord_Index[i] = 0; } else { /* check bounds for variables which have no automatic limits */ if ((!Vars->Flag_Auto_Limits || !(Vars->Coord_Type[i] & DEFS->COORD_AUTO)) && Vars->Coord_Bin[i]>1) { /* compute index in histograms for each variable to monitor */ XY = (Vars->Coord_Max[i]-Vars->Coord_Min[i]); if (XY > 0) Coord_Index[i] = floor((Coord[i]-Vars->Coord_Min[i])*Vars->Coord_Bin[i]/XY); if (Vars->Flag_With_Borders) { if (Coord_Index[i] >= Vars->Coord_Bin[i]) Coord_Index[i] = Vars->Coord_Bin[i] - 1; if (Coord_Index[i] < 0) Coord_Index[i] = 0; } //if (0 > Coord_Index[i] || Coord_Index[i] >= Vars->Coord_Bin[i]) // outsidebounds=1; } /* else will get Index later from Buffer when Flag_Auto_Limits == 2 */ } } /* end for i */ While_End = 1; }/* end else if Vars->Flag_Auto_Limits == 2 */ /* ====================================================================== */ /* store n1d/2d neutron from Buffer (Auto_Limits == 2) or current neutron in while */ if (Vars->Flag_Auto_Limits != 1) /* not when storing auto limits Buffer */ { /* apply per cm2 */ if (Vars->Flag_per_cm2 && Vars->area != 0) pp /= Vars->area; /* 2D case : Vars->Coord_Number==2 and !Vars->Flag_Multiple and !Vars->Flag_List */ if ( Vars->Coord_NumberNoPixel == 2 && !Vars->Flag_Multiple) { /* Dim : Vars->Coord_Bin[1]*Vars->Coord_Bin[2] matrix */ i = Coord_Index[1]; j = Coord_Index[2]; if (i >= 0 && i < Vars->Coord_Bin[1] && j >= 0 && j < Vars->Coord_Bin[2]) { if (Vars->Mon2D_N) { double p2 = pp*pp; #pragma acc atomic Vars->Mon2D_N[i][j] = Vars->Mon2D_N[i][j]+1; #pragma acc atomic Vars->Mon2D_p[i][j] = Vars->Mon2D_p[i][j]+pp; #pragma acc atomic Vars->Mon2D_p2[i][j] = Vars->Mon2D_p2[i][j] + p2; } } else { outsidebounds=1; } } else { /* 1D and n1D case : Vars->Flag_Multiple */ /* Dim : Vars->Coord_Number*Vars->Coord_Bin[i] vectors (intensity is not included) */ for (i= 1; i <= Vars->Coord_Number; i++) { j = Coord_Index[i]; if (j >= 0 && j < Vars->Coord_Bin[i]) { if (Vars->Flag_Multiple && Vars->Mon2D_N) { if (Vars->Mon2D_N) { double p2 = pp*pp; #pragma acc atomic Vars->Mon2D_N[i-1][j] = Vars->Mon2D_N[i-1][j]+1; #pragma acc atomic Vars->Mon2D_p[i-1][j] = Vars->Mon2D_p[i-1][j]+pp; #pragma acc atomic Vars->Mon2D_p2[i-1][j] = Vars->Mon2D_p2[i-1][j] + p2; } } } else { outsidebounds=1; break; } } } } /* end (Vars->Flag_Auto_Limits != 1) */ if (Vars->Flag_Auto_Limits != 2 && !outsidebounds) /* not when reading auto limits Buffer */ { /* now store Coord into Buffer (no index needed) if necessary (list or auto limits) */ if ((Vars->Buffer_Counter < Vars->Buffer_Block) && ((Vars->Flag_List) || (Vars->Flag_Auto_Limits == 1))) { for (i = 0; i <= Vars->Coord_Number; i++) { // This is is where the list is appended. How to make this "atomic"? #pragma acc atomic write Vars->Mon2D_Buffer[i + Vars->Buffer_Counter*(Vars->Coord_Number+1)] = Coord[i]; } #pragma acc atomic update Vars->Buffer_Counter = Vars->Buffer_Counter + 1; if (Vars->Flag_Verbose && (Vars->Buffer_Counter >= Vars->Buffer_Block) && (Vars->Flag_List == 1)) printf("Monitor_nD: %s %li neutrons stored in List.\n", Vars->compcurname, Vars->Buffer_Counter); } } /* end (Vars->Flag_Auto_Limits != 2) */ } /* end while */ #pragma acc atomic Vars->Nsum = Vars->Nsum + 1; #pragma acc atomic Vars->psum = Vars->psum + pp; #pragma acc atomic Vars->p2sum = Vars->p2sum + pp*pp; /*determine return value: 1:neutron was in bounds and measured, -1: outside bounds, 0: outside bounds, should be absorbed.*/ if(outsidebounds){ if(Vars->Flag_Absorb){ return 0; }else{ return -1; } } else { /* For the OPENACC list buffer an atomic capture/update of the updated Neutron_counter - updated below under list mode Only need to be updated when inside bounds. */ #pragma acc atomic update Vars->Neutron_Counter++; } return 1; } /* end Monitor_nD_Trace */ /* ========================================================================= */ /* Monitor_nD_Save: this routine is used to save data files */ /* ========================================================================= */ MCDETECTOR Monitor_nD_Save(MonitornD_Defines_type *DEFS, MonitornD_Variables_type *Vars) { char *fname; long i,j; double *p0m = NULL; double *p1m = NULL; double *p2m = NULL; char Coord_X_Label[CHAR_BUF_LENGTH]; double min1d, max1d; double min2d, max2d; char While_End = 0; long While_Buffer = 0; double XY=0, pp=0; double Coord[MONnD_COORD_NMAX]; long Coord_Index[MONnD_COORD_NMAX]; char label[CHAR_BUF_LENGTH]; MCDETECTOR detector; strcpy(detector.options,Vars->option); if (Vars->Flag_Verbose && Vars->Flag_per_cm2) { printf("Monitor_nD: %s: active flat detector area is %g [cm^2], total area is %g [cm^2]\n", Vars->compcurname, (Vars->max_x-Vars->min_x) *(Vars->max_y-Vars->min_y)*1E4, Vars->area); printf("Monitor_nD: %s: beam solid angle is %g [st] (%g x %g [deg^2])\n", Vars->compcurname, 2*fabs(2*atan2(Vars->mean_dx,Vars->mean_p) *sin(2*atan2(Vars->mean_dy,Vars->mean_p)/2)), atan2(Vars->mean_dx,Vars->mean_p)*RAD2DEG, atan2(Vars->mean_dy,Vars->mean_p)*RAD2DEG); } /* check Buffer flush when end of simulation reached */ if ((Vars->Buffer_Counter <= Vars->Buffer_Block) && Vars->Flag_Auto_Limits && Vars->Mon2D_Buffer && Vars->Buffer_Counter) { /* Get Auto Limits */ if (Vars->Flag_Verbose) printf("Monitor_nD: %s getting %li Auto Limits from List (%li events).\n", Vars->compcurname, Vars->Coord_Number, Vars->Buffer_Counter); for (i = 1; i <= Vars->Coord_Number; i++) { if ((Vars->Coord_Type[i] & DEFS->COORD_AUTO) && Vars->Coord_Bin[i] > 1) { Vars->Coord_Min[i] = FLT_MAX; Vars->Coord_Max[i] = -FLT_MAX; for (j = 0; j < Vars->Buffer_Counter; j++) { XY = Vars->Mon2D_Buffer[i+j*(Vars->Coord_Number+1)]; /* scanning variables in Buffer */ if (XY < Vars->Coord_Min[i]) Vars->Coord_Min[i] = XY; if (XY > Vars->Coord_Max[i]) Vars->Coord_Max[i] = XY; } if (Vars->Flag_Verbose) printf(" %s: min=%g max=%g in %li bins\n", Vars->Coord_Var[i], Vars->Coord_Min[i], Vars->Coord_Max[i], Vars->Coord_Bin[i]); } } Vars->Flag_Auto_Limits = 2; /* pass to 2nd auto limits step */ Vars->Buffer_Block = Vars->Buffer_Counter; while (!While_End) { /* we generate Coord[] and Coord_index[] from Buffer (auto limits) */ /* simulation ended before Buffer was filled. Limits have to be computed, and stored events must be sent into histograms */ if (While_Buffer < Vars->Buffer_Block) { /* first while loops (While_Buffer) */ Coord[0] = Vars->Mon2D_Buffer[While_Buffer*(Vars->Coord_Number+1)]; /* auto limits case : scan Buffer within limits and store in Mon2D */ for (i = 1; i <= Vars->Coord_Number; i++) { /* scanning variables in Buffer */ if (Vars->Coord_Bin[i] <= 1) Coord_Index[i] = 0; else { XY = (Vars->Coord_Max[i]-Vars->Coord_Min[i]); Coord[i] = Vars->Mon2D_Buffer[i+While_Buffer*(Vars->Coord_Number+1)]; if (XY > 0) Coord_Index[i] = floor((Coord[i]-Vars->Coord_Min[i])*Vars->Coord_Bin[i]/XY); else Coord_Index[i] = 0; if (Vars->Flag_With_Borders) { if (Coord_Index[i] < 0) Coord_Index[i] = 0; if (Coord_Index[i] >= Vars->Coord_Bin[i]) Coord_Index[i] = Vars->Coord_Bin[i] - 1; } } } /* end for */ /* update the PixelID, we compute it from the previous variables index */ for (i = 1; i <= Vars->Coord_Number; i++) { char Set_Vars_Coord_Type = (Vars->Coord_Type[i] & (DEFS->COORD_LOG-1)); if (Set_Vars_Coord_Type == DEFS->COORD_PIXELID) { char outsidebounds=0; Coord_Index[i] = Coord[i] = 0; for (j= 1; j < i; j++) { /* not for 1D variables with Bin=1 such as PixelID, NCOUNT, Intensity */ if (Vars->Coord_Bin[j] == 1) continue; if (0 > Coord_Index[j] || Coord_Index[j] >= Vars->Coord_Bin[j]) { outsidebounds=1; Coord[i] = 0; break; } Coord[i] += Coord_Index[j]*Vars->Coord_BinProd[j-1]; } if (!outsidebounds) { Vars->Mon2D_Buffer[i+While_Buffer*(Vars->Coord_Number+1)] = Coord[i]; } } /* end if PixelID */ } While_Buffer++; } /* end if in Buffer */ else /* (While_Buffer >= Vars->Buffer_Block) && (Vars->Flag_Auto_Limits == 2) */ { Vars->Flag_Auto_Limits = 0; While_End = 1; if (Vars->Flag_Verbose) printf("Monitor_nD: %s flushed %li Auto Limits from List (%li).\n", Vars->compcurname, Vars->Coord_Number, Vars->Buffer_Counter); } /* store n1d/2d section from Buffer */ pp = Coord[0]; /* apply per cm2 or per st */ if (Vars->Flag_per_cm2 && Vars->area != 0) pp /= Vars->area; /* 2D case : Vars->Coord_Number==2 and !Vars->Flag_Multiple and !Vars->Flag_List */ if (!Vars->Flag_Multiple && Vars->Coord_NumberNoPixel == 2) { /* Dim : Vars->Coord_Bin[1]*Vars->Coord_Bin[2] matrix */ i = Coord_Index[1]; j = Coord_Index[2]; if (i >= 0 && i < Vars->Coord_Bin[1] && j >= 0 && j < Vars->Coord_Bin[2]) { if (Vars->Mon2D_N) { Vars->Mon2D_N[i][j]++; Vars->Mon2D_p[i][j] += pp; Vars->Mon2D_p2[i][j] += pp*pp; } } else if (Vars->Flag_Absorb) pp=0; } else /* 1D and n1D case : Vars->Flag_Multiple */ { /* Dim : Vars->Coord_Number*Vars->Coord_Bin[i] vectors (intensity is not included) */ for (i= 1; i <= Vars->Coord_Number; i++) { j = Coord_Index[i]; if (j >= 0 && j < Vars->Coord_Bin[i]) { if (Vars->Flag_Multiple && Vars->Mon2D_N) { Vars->Mon2D_N[i-1][j]++; Vars->Mon2D_p[i-1][j] += pp; Vars->Mon2D_p2[i-1][j] += pp*pp; } } else if (Vars->Flag_Absorb) { pp=0; break; } } } /* end store 2D/1D */ } /* end while */ } /* end Force Get Limits */ /* write output files (sent to file as p[i*n + j] vectors) */ if (Vars->Coord_Number == 0) { double Nsum; double psum, p2sum; Nsum = Vars->Nsum; psum = Vars->psum; p2sum= Vars->p2sum; if (Vars->Flag_signal != DEFS->COORD_P && Nsum > 0) { psum /=Nsum; p2sum /= Nsum*Nsum; } /* DETECTOR_OUT_0D(Vars->Monitor_Label, Vars->Nsum, Vars->psum, Vars->p2sum); */ detector = mcdetector_out_0D(Vars->Monitor_Label, Nsum, psum, p2sum, Vars->compcurname, Vars->compcurpos, Vars->compcurrot,Vars->compcurindex); } else if (strlen(Vars->Mon_File) > 0) { fname = (char*)malloc(strlen(Vars->Mon_File)+10*Vars->Coord_Number); if (Vars->Flag_List && Vars->Mon2D_Buffer) /* List: DETECTOR_OUT_2D */ { if (Vars->Flag_List >= 2) Vars->Buffer_Size = Vars->Neutron_Counter; if (Vars->Buffer_Size >= Vars->Neutron_Counter) Vars->Buffer_Size = Vars->Neutron_Counter; strcpy(fname,Vars->Mon_File); if (strchr(Vars->Mon_File,'.') == NULL) strcat(fname, "_list"); strcpy(Coord_X_Label,""); for (i= 0; i <= Vars->Coord_Number; i++) { strcat(Coord_X_Label, Vars->Coord_Var[i]); strcat(Coord_X_Label, " "); if (strchr(Vars->Mon_File,'.') == NULL) { strcat(fname, "."); strcat(fname, Vars->Coord_Var[i]); } } if (Vars->Flag_Verbose) printf("Monitor_nD: %s write monitor file %s List (%lix%li).\n", Vars->compcurname, fname,(long int)Vars->Neutron_Counter,Vars->Coord_Number); /* handle the type of list output */ strcpy(label, Vars->Monitor_Label); detector = mcdetector_out_list( label, "List of neutron events", Coord_X_Label, -Vars->Buffer_Size, Vars->Coord_Number+1, Vars->Mon2D_Buffer, fname, Vars->compcurname, Vars->compcurpos, Vars->compcurrot, Vars->option,Vars->compcurindex); } if (Vars->Flag_Multiple) /* n1D: DETECTOR_OUT_1D */ { for (i= 0; i < Vars->Coord_Number; i++) { strcpy(fname,Vars->Mon_File); if (strchr(Vars->Mon_File,'.') == NULL) { strcat(fname, "."); strcat(fname, Vars->Coord_Var[i+1]); } sprintf(Coord_X_Label, "%s monitor", Vars->Coord_Label[i+1]); strcpy(label, Coord_X_Label); if (Vars->Coord_Bin[i+1] > 0) { /* 1D monitor */ if (Vars->Flag_Verbose) printf("Monitor_nD: %s write monitor file %s 1D (%li).\n", Vars->compcurname, fname, Vars->Coord_Bin[i+1]); min1d = Vars->Coord_Min[i+1]; max1d = Vars->Coord_Max[i+1]; if (min1d == max1d) max1d = min1d+1e-6; p1m = (double *)malloc(Vars->Coord_Bin[i+1]*sizeof(double)); p2m = (double *)malloc(Vars->Coord_Bin[i+1]*sizeof(double)); if (p2m == NULL) /* use Raw Buffer line output */ { if (Vars->Flag_Verbose) printf("Monitor_nD: %s cannot allocate memory for output. Using raw data.\n", Vars->compcurname); if (p1m != NULL) free(p1m); detector = mcdetector_out_1D( label, Vars->Coord_Label[i+1], Vars->Coord_Label[0], Vars->Coord_Var[i+1], min1d, max1d, Vars->Coord_Bin[i+1], Vars->Mon2D_N[i],Vars->Mon2D_p[i],Vars->Mon2D_p2[i], fname, Vars->compcurname, Vars->compcurpos, Vars->compcurrot,Vars->compcurindex); } /* if (p2m == NULL) */ else { if (Vars->Flag_log != 0) { XY = FLT_MAX; for (j=0; j < Vars->Coord_Bin[i+1]; j++) /* search min of signal */ if ((XY > Vars->Mon2D_p[i][j]) && (Vars->Mon2D_p[i][j] > 0)) XY = Vars->Mon2D_p[i][j]; if (XY <= 0) XY = -log(FLT_MAX)/log(10); else XY = log(XY)/log(10)-1; } /* if */ for (j=0; j < Vars->Coord_Bin[i+1]; j++) { p1m[j] = Vars->Mon2D_p[i][j]; p2m[j] = Vars->Mon2D_p2[i][j]; if (Vars->Flag_signal != DEFS->COORD_P && Vars->Mon2D_N[i][j] > 0) { /* normalize mean signal to the number of events */ p1m[j] /= Vars->Mon2D_N[i][j]; p2m[j] /= Vars->Mon2D_N[i][j]*Vars->Mon2D_N[i][j]; } if (Vars->Flag_log != 0) { if ((p1m[j] > 0) && (p2m[j] > 0)) { p2m[j] /= p1m[j]*p1m[j]; p1m[j] = log(p1m[j])/log(10); } else { p1m[j] = XY; p2m[j] = 0; } } } /* for */ detector = mcdetector_out_1D( label, Vars->Coord_Label[i+1], Vars->Coord_Label[0], Vars->Coord_Var[i+1], min1d, max1d, Vars->Coord_Bin[i+1], Vars->Mon2D_N[i],p1m,p2m, fname, Vars->compcurname, Vars->compcurpos, Vars->compcurrot,Vars->compcurindex); } /* else */ /* comment out 'free memory' lines to avoid loosing arrays if 'detector' structure is used by other instrument parts if (p1m != NULL) free(p1m); p1m=NULL; if (p2m != NULL) free(p2m); p2m=NULL; */ } else { /* 0d monitor */ detector = mcdetector_out_0D(label, Vars->Mon2D_p[i][0], Vars->Mon2D_p2[i][0], Vars->Mon2D_N[i][0], Vars->compcurname, Vars->compcurpos, Vars->compcurrot,Vars->compcurindex); } } /* for */ } /* if 1D */ else if (Vars->Coord_NumberNoPixel == 2) /* 2D: DETECTOR_OUT_2D */ { strcpy(fname,Vars->Mon_File); p0m = (double *)malloc(Vars->Coord_Bin[1]*Vars->Coord_Bin[2]*sizeof(double)); p1m = (double *)malloc(Vars->Coord_Bin[1]*Vars->Coord_Bin[2]*sizeof(double)); p2m = (double *)malloc(Vars->Coord_Bin[1]*Vars->Coord_Bin[2]*sizeof(double)); if (p2m == NULL) { if (Vars->Flag_Verbose) printf("Monitor_nD: %s cannot allocate memory for 2D array (%zi). Skipping.\n", Vars->compcurname, 3*Vars->Coord_Bin[1]*Vars->Coord_Bin[2]*sizeof(double)); /* comment out 'free memory' lines to avoid loosing arrays if 'detector' structure is used by other instrument parts if (p0m != NULL) free(p0m); if (p1m != NULL) free(p1m); */ } else { if (Vars->Flag_log != 0) { XY = FLT_MAX; for (i= 0; i < Vars->Coord_Bin[1]; i++) for (j= 0; j < Vars->Coord_Bin[2]; j++) /* search min of signal */ if ((XY > Vars->Mon2D_p[i][j]) && (Vars->Mon2D_p[i][j]>0)) XY = Vars->Mon2D_p[i][j]; if (XY <= 0) XY = -log(FLT_MAX)/log(10); else XY = log(XY)/log(10)-1; } for (i= 0; i < Vars->Coord_Bin[1]; i++) { for (j= 0; j < Vars->Coord_Bin[2]; j++) { long index; index = j + i*Vars->Coord_Bin[2]; p0m[index] = Vars->Mon2D_N[i][j]; p1m[index] = Vars->Mon2D_p[i][j]; p2m[index] = Vars->Mon2D_p2[i][j]; if (Vars->Flag_signal != DEFS->COORD_P && p0m[index] > 0) { p1m[index] /= p0m[index]; p2m[index] /= p0m[index]*p0m[index]; } if (Vars->Flag_log != 0) { if ((p1m[index] > 0) && (p2m[index] > 0)) { p2m[index] /= (p1m[index]*p1m[index]); p1m[index] = log(p1m[index])/log(10); } else { p1m[index] = XY; p2m[index] = 0; } } } } if (strchr(Vars->Mon_File,'.') == NULL) { strcat(fname, "."); strcat(fname, Vars->Coord_Var[1]); strcat(fname, "_"); strcat(fname, Vars->Coord_Var[2]); } if (Vars->Flag_Verbose) printf("Monitor_nD: %s write monitor file %s 2D (%lix%li).\n", Vars->compcurname, fname, Vars->Coord_Bin[1], Vars->Coord_Bin[2]); min1d = Vars->Coord_Min[1]; max1d = Vars->Coord_Max[1]; if (min1d == max1d) max1d = min1d+1e-6; min2d = Vars->Coord_Min[2]; max2d = Vars->Coord_Max[2]; if (min2d == max2d) max2d = min2d+1e-6; strcpy(label, Vars->Monitor_Label); if (Vars->Coord_Bin[1]*Vars->Coord_Bin[2] > 1 && Vars->Flag_signal == DEFS->COORD_P) strcat(label, " per bin"); if (Vars->Flag_List) { detector = mcdetector_out_2D_list( label, Vars->Coord_Label[1], Vars->Coord_Label[2], min1d, max1d, min2d, max2d, Vars->Coord_Bin[1], Vars->Coord_Bin[2], p0m,p1m,p2m, fname, Vars->compcurname, Vars->compcurpos, Vars->compcurrot,Vars->option,Vars->compcurindex); } else { detector = mcdetector_out_2D( label, Vars->Coord_Label[1], Vars->Coord_Label[2], min1d, max1d, min2d, max2d, Vars->Coord_Bin[1], Vars->Coord_Bin[2], p0m,p1m,p2m, fname, Vars->compcurname, Vars->compcurpos, Vars->compcurrot,Vars->compcurindex); } /* comment out 'free memory' lines to avoid loosing arrays if 'detector' structure is used by other instrument parts if (p0m != NULL) free(p0m); if (p1m != NULL) free(p1m); if (p2m != NULL) free(p2m); */ } } free(fname); } return(detector); } /* end Monitor_nD_Save */ /* ========================================================================= */ /* Monitor_nD_Finally: this routine is used to free memory */ /* ========================================================================= */ void Monitor_nD_Finally(MonitornD_Defines_type *DEFS, MonitornD_Variables_type *Vars) { int i; /* Now Free memory Mon2D.. */ if ((Vars->Flag_Auto_Limits || Vars->Flag_List) && Vars->Coord_Number) { /* Dim : (Vars->Coord_Number+1)*Vars->Buffer_Block matrix (for p, dp) */ if (Vars->Mon2D_Buffer != NULL) free(Vars->Mon2D_Buffer); } /* 1D and n1D case : Vars->Flag_Multiple */ if (Vars->Flag_Multiple && Vars->Coord_Number) { /* Dim : Vars->Coord_Number*Vars->Coord_Bin[i] vectors */ for (i= 0; i < Vars->Coord_Number; i++) { free(Vars->Mon2D_N[i]); free(Vars->Mon2D_p[i]); free(Vars->Mon2D_p2[i]); } free(Vars->Mon2D_N); free(Vars->Mon2D_p); free(Vars->Mon2D_p2); } /* 2D case : Vars->Coord_Number==2 and !Vars->Flag_Multiple and !Vars->Flag_List */ if ((Vars->Coord_NumberNoPixel == 2) && !Vars->Flag_Multiple) { /* Dim : Vars->Coord_Bin[1]*Vars->Coord_Bin[2] matrix */ for (i= 0; i < Vars->Coord_Bin[1]; i++) { free(Vars->Mon2D_N[i]); free(Vars->Mon2D_p[i]); free(Vars->Mon2D_p2[i]); } free(Vars->Mon2D_N); free(Vars->Mon2D_p); free(Vars->Mon2D_p2); } } /* end Monitor_nD_Finally */ /* ========================================================================= */ /* Monitor_nD_McDisplay: this routine is used to display component */ /* ========================================================================= */ void Monitor_nD_McDisplay(MonitornD_Defines_type *DEFS, MonitornD_Variables_type *Vars) { double radius, h; double xmin; double xmax; double ymin; double ymax; double zmin; double zmax; int i; double hdiv_min=-180, hdiv_max=180, vdiv_min=-90, vdiv_max=90; char restricted = 0; radius = Vars->Sphere_Radius; h = Vars->Cylinder_Height; xmin = Vars->mxmin; xmax = Vars->mxmax; ymin = Vars->mymin; ymax = Vars->mymax; zmin = Vars->mzmin; zmax = Vars->mzmax; /* determine if there are angular limits set at start (no auto) in coord_types * cylinder/banana: look for hdiv * sphere: look for angle, radius (->atan2(val,radius)), hdiv, vdiv * this activates a 'restricted' flag, to draw a region as blades on cylinder/sphere */ for (i= 0; i <= Vars->Coord_Number; i++) { int Set_Vars_Coord_Type; Set_Vars_Coord_Type = (Vars->Coord_Type[i] & (DEFS->COORD_LOG-1)); if (Set_Vars_Coord_Type == DEFS->COORD_HDIV || Set_Vars_Coord_Type == DEFS->COORD_THETA) { hdiv_min = Vars->Coord_Min[i]; hdiv_max = Vars->Coord_Max[i]; restricted = 1; } else if (Set_Vars_Coord_Type == DEFS->COORD_VDIV || Set_Vars_Coord_Type == DEFS->COORD_PHI) { vdiv_min = Vars->Coord_Min[i]; vdiv_max = Vars->Coord_Max[i];restricted = 1; } else if (Set_Vars_Coord_Type == DEFS->COORD_ANGLE) { hdiv_min = vdiv_min = Vars->Coord_Min[i]; hdiv_max = vdiv_max = Vars->Coord_Max[i]; restricted = 1; } else if (Set_Vars_Coord_Type == DEFS->COORD_RADIUS) { double angle; angle = RAD2DEG*atan2(Vars->Coord_Max[i], radius); hdiv_min = vdiv_min = angle; hdiv_max = vdiv_max = angle; restricted = 1; } else if (Set_Vars_Coord_Type == DEFS->COORD_Y && abs(Vars->Flag_Shape) == DEFS->SHAPE_SPHERE) { vdiv_min = atan2(ymin,radius)*RAD2DEG; vdiv_max = atan2(ymax,radius)*RAD2DEG; restricted = 1; } } /* full sphere */ if ((!restricted && (abs(Vars->Flag_Shape) == DEFS->SHAPE_SPHERE)) || abs(Vars->Flag_Shape) == DEFS->SHAPE_PREVIOUS) { mcdis_magnify(""); mcdis_circle("xy",0,0,0,radius); mcdis_circle("xz",0,0,0,radius); mcdis_circle("yz",0,0,0,radius); } /* banana/cylinder/sphere portion */ else if (restricted && ((abs(Vars->Flag_Shape) == DEFS->SHAPE_CYLIND) || (abs(Vars->Flag_Shape) == DEFS->SHAPE_BANANA) || (abs(Vars->Flag_Shape) == DEFS->SHAPE_SPHERE))) { int NH=24, NV=24; int ih, iv; double width, height; int issphere; issphere = (abs(Vars->Flag_Shape) == DEFS->SHAPE_SPHERE); width = (hdiv_max-hdiv_min)/NH; if (!issphere) { NV=1; /* cylinder has vertical axis */ } height= (vdiv_max-vdiv_min)/NV; /* check width and height of elements (sphere) to make sure the nb of plates remains limited */ if (width < 10 && NH > 1) { width = 10; NH=(hdiv_max-hdiv_min)/width; width=(hdiv_max-hdiv_min)/NH; } if (height < 10 && NV > 1) { height = 10; NV=(vdiv_max-vdiv_min)/height; height= (vdiv_max-vdiv_min)/NV; } mcdis_magnify("xyz"); for(ih = 0; ih < NH; ih++) for(iv = 0; iv < NV; iv++) { double theta0, phi0, theta1, phi1; /* angles in spherical coordinates */ double x0,y0,z0,x1,y1,z1,x2,y2,z2,x3,y3,z3; /* vertices at plate edges */ phi0 = (hdiv_min+ width*ih-90)*DEG2RAD; /* in xz plane */ phi1 = (hdiv_min+ width*(ih+1)-90)*DEG2RAD; if (issphere) { theta0= (vdiv_min+height* iv + 90) *DEG2RAD; /* in vertical plane */ theta1= (vdiv_min+height*(iv+1) + 90)*DEG2RAD; y0 = -radius*cos(theta0); /* z with Z vertical */ y1 = -radius*cos(theta1); if (y0 < ymin) y0=ymin; if (y0 > ymax) y0=ymax; if (y1 < ymin) y1=ymin; if (y1 > ymax) y1=ymax; } else { y0 = ymin; y1 = ymax; theta0=theta1=90*DEG2RAD; } x0 = radius*sin(theta0)*cos(phi0); /* x with Z vertical */ z0 =-radius*sin(theta0)*sin(phi0); /* y with Z vertical */ x1 = radius*sin(theta1)*cos(phi0); z1 =-radius*sin(theta1)*sin(phi0); x2 = radius*sin(theta1)*cos(phi1); z2 =-radius*sin(theta1)*sin(phi1); x3 = radius*sin(theta0)*cos(phi1); z3 =-radius*sin(theta0)*sin(phi1); y2 = y1; y3 = y0; mcdis_multiline(5, x0,y0,z0, x1,y1,z1, x2,y2,z2, x3,y3,z3, x0,y0,z0); } if (Vars->Flag_mantid) { /* First define the base pixel type */ double dt, dy; dt = (Vars->Coord_Max[1]-Vars->Coord_Min[1])/Vars->Coord_Bin[1]; dy = (Vars->Coord_Max[2]-Vars->Coord_Min[2])/Vars->Coord_Bin[2]; printf("MANTID_BANANA_DET: %g, %g, %g, %g, %g, %li, %li, %llu\n", radius, Vars->Coord_Min[1],Vars->Coord_Max[1], Vars->Coord_Min[2],Vars->Coord_Max[2], Vars->Coord_Bin[1], Vars->Coord_Bin[2], (long long unsigned)Vars->Coord_Min[4]); } } /* disk (circle) */ else if (abs(Vars->Flag_Shape) == DEFS->SHAPE_DISK) { mcdis_magnify(""); mcdis_circle("xy",0,0,0,radius); } /* rectangle (square) */ else if (abs(Vars->Flag_Shape) == DEFS->SHAPE_SQUARE) { mcdis_magnify("xy"); mcdis_multiline(5, (double)xmin, (double)ymin, 0.0, (double)xmax, (double)ymin, 0.0, (double)xmax, (double)ymax, 0.0, (double)xmin, (double)ymax, 0.0, (double)xmin, (double)ymin, 0.0); if (Vars->Flag_mantid) { /* First define the base pixel type */ double dx, dy; dx = (Vars->Coord_Max[1]-Vars->Coord_Min[1])/Vars->Coord_Bin[1]; dy = (Vars->Coord_Max[2]-Vars->Coord_Min[2])/Vars->Coord_Bin[2]; printf("MANTID_RECTANGULAR_DET: %g, %g, %g, %g, %li, %li, %llu\n", Vars->Coord_Min[1],Vars->Coord_Max[1], Vars->Coord_Min[2],Vars->Coord_Max[2], Vars->Coord_Bin[1], Vars->Coord_Bin[2], (long long unsigned)Vars->Coord_Min[4]); } } /* full cylinder/banana */ else if (!restricted && ((abs(Vars->Flag_Shape) == DEFS->SHAPE_CYLIND) || (abs(Vars->Flag_Shape) == DEFS->SHAPE_BANANA))) { mcdis_magnify("xyz"); mcdis_circle("xz", 0, h/2.0, 0, radius); mcdis_circle("xz", 0, -h/2.0, 0, radius); mcdis_line(-radius, -h/2.0, 0, -radius, +h/2.0, 0); mcdis_line(+radius, -h/2.0, 0, +radius, +h/2.0, 0); mcdis_line(0, -h/2.0, -radius, 0, +h/2.0, -radius); mcdis_line(0, -h/2.0, +radius, 0, +h/2.0, +radius); } else /* box */ if (abs(Vars->Flag_Shape) == DEFS->SHAPE_BOX) { mcdis_magnify("xyz"); mcdis_multiline(5, xmin, ymin, zmin, xmax, ymin, zmin, xmax, ymax, zmin, xmin, ymax, zmin, xmin, ymin, zmin); mcdis_multiline(5, xmin, ymin, zmax, xmax, ymin, zmax, xmax, ymax, zmax, xmin, ymax, zmax, xmin, ymin, zmax); mcdis_line(xmin, ymin, zmin, xmin, ymin, zmax); mcdis_line(xmax, ymin, zmin, xmax, ymin, zmax); mcdis_line(xmin, ymax, zmin, xmin, ymax, zmax); mcdis_line(xmax, ymax, zmin, xmax, ymax, zmax); } } /* end Monitor_nD_McDisplay */ /* end of monitor_nd-lib.c */ /* Shared user declarations for all components types 'Union_stop'. */ #ifndef Union #error "The Union_init component must be included before this Union_stop component" #endif /* TODO update Union master to use the flexible functions deal with loggers and conditionals */ int physics_my(enum process choice, double *my,double *k_initial, union data_transfer_union data_transfer, struct focus_data_struct *focus_data, _class_particle *_particle) { int output = 0; // Error return value #ifdef PROCESS_DETECTOR switch(choice) { #ifdef PROCESS_INCOHERENT_DETECTOR case Incoherent: output = Incoherent_physics_my(my, k_initial, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_POWDER_DETECTOR case Powder: output = Powder_physics_my(my, k_initial, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_SINGLE_CRYSTAL_DETECTOR case Single_crystal: output = Single_crystal_physics_my(my, k_initial, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_AF_HB_1D_DETECTOR case AF_HB_1D: output = AF_HB_1D_physics_my(my, k_initial, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_PHONONSIMPLE_DETECTOR case PhononSimple: output = PhononSimple_physics_my(my, k_initial, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_TEXTURE_DETECTOR case Texture: output = Texture_physics_my(my, k_initial, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_INCOHERENTPHONON_DETECTOR case IncoherentPhonon: output = IncoherentPhonon_physics_my(my, k_initial, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_NCRYSTAL_DETECTOR case NCrystal: output = NCrystal_physics_my(my, k_initial, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_NON_DETECTOR case Non: output = Non_physics_my(my, k_initial, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_TEMPLATE_DETECTOR case Template: output = Template_physics_my(my, k_initial, data_transfer, focus_data, _particle); break; #endif default: printf("physics_my: No scattering process matches input!\n"); break; } #endif return output; } int physics_scattering(enum process choice, double *k_final, double *k_initial, double *weight, union data_transfer_union data_transfer, struct focus_data_struct *focus_data, _class_particle *_particle) { int output = 0; // Error return value #ifdef PROCESS_DETECTOR switch(choice) { #ifdef PROCESS_INCOHERENT_DETECTOR case Incoherent: output = Incoherent_physics_scattering(k_final, k_initial, weight, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_POWDER_DETECTOR case Powder: output = Powder_physics_scattering(k_final, k_initial, weight, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_SINGLE_CRYSTAL_DETECTOR case Single_crystal: output = Single_crystal_physics_scattering(k_final, k_initial, weight, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_AF_HB_1D_DETECTOR case AF_HB_1D: output = AF_HB_1D_physics_scattering(k_final, k_initial, weight, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_PHONONSIMPLE_DETECTOR case PhononSimple: output = PhononSimple_physics_scattering(k_final, k_initial, weight, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_TEXTURE_DETECTOR case Texture: output = Texture_physics_scattering(k_final, k_initial, weight, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_INCOHERENTPHONON_DETECTOR case IncoherentPhonon: output = IncoherentPhonon_physics_scattering(k_final, k_initial, weight, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_NCRYSTAL_DETECTOR case NCrystal: output = NCrystal_physics_scattering(k_final, k_initial, weight, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_NON_DETECTOR case Non: output = Non_physics_scattering(k_final, k_initial, weight, data_transfer, focus_data, _particle); break; #endif #ifdef PROCESS_TEMPLATE_DETECTOR case Template: output = Template_physics_scattering(k_final, k_initial, weight, data_transfer, focus_data, _particle); break; #endif default: printf("physics_scattering: No scattering process matches input!\n"); break; } #endif return output; } int physics_surface(struct surface_process_struct *surface, // surface struct, has enum for choice and pointer to data double *weight, double *wavevector, // information to surface_process, but also things it should update int *continues, // output, whether the ray continues to next layer or not double *normal_vector, enum in_or_out in_out, // information that should not be changed _class_particle *_particle) { // particle struct enum surface choice = surface->eSurface; int output = 0; // Error return value #ifdef SURFACE_DETECTOR switch(choice) { #ifdef SURFACE_PROCESS_MIRROR_DETECTOR case Mirror: output = Mirror_surface_function(surface->data_transfer, weight, wavevector, continues, normal_vector, in_out, _particle); break; #endif #ifdef SURFACE_PROCESS_TEMPLATE_DETECTOR case SurfaceTemplate: output = Template_surface_function(surface->data_transfer, weight, wavevector, continues, normal_vector, in_out, _particle); break; #endif default: printf("physics_surface: No surface process matches input!\n"); break; } #endif return output; } /* ************************************************************************** */ /* End of SHARE user declarations for all components */ /* ************************************************************************** */ /* ********************** component definition declarations. **************** */ /* component init=Union_init() [1] DECLARE */ /* Parameter definition for component type 'Union_init' */ struct _struct_Union_init_parameters { /* Component type 'Union_init' private parameters */ struct global_positions_to_transform_list_struct global_positions_to_transform_list; struct global_rotations_to_transform_list_struct global_rotations_to_transform_list; struct pointer_to_global_process_list global_process_list; struct pointer_to_global_material_list global_material_list; struct pointer_to_global_surface_list global_surface_list; struct pointer_to_global_geometry_list global_geometry_list; struct pointer_to_global_logger_list global_all_volume_logger_list; struct pointer_to_global_logger_list global_specific_volumes_logger_list; struct pointer_to_global_abs_logger_list global_all_volume_abs_logger_list; struct pointer_to_global_abs_logger_list global_specific_volumes_abs_logger_list; struct global_tagging_conditional_list_struct global_tagging_conditional_list; struct pointer_to_global_master_list global_master_list; int global_mantid_min_pixel_id; }; /* _struct_Union_init_parameters */ typedef struct _struct_Union_init_parameters _class_Union_init_parameters; /* Parameters for component type 'Union_init' */ struct _struct_Union_init { char _name[256]; /* e.g. init */ char _type[256]; /* Union_init */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Union_init_parameters _parameters; }; typedef struct _struct_Union_init _class_Union_init; _class_Union_init _init_var; #pragma acc declare create ( _init_var ) /* component YBaCuO_incoherent=Incoherent_process() [2] DECLARE */ /* Parameter definition for component type 'Incoherent_process' */ struct _struct_Incoherent_process_parameters { /* Component type 'Incoherent_process' setting parameters */ MCNUM sigma; MCNUM f_QE; MCNUM gamma; MCNUM packing_factor; MCNUM unit_cell_volume; MCNUM interact_fraction; char init[16384]; /* Component type 'Incoherent_process' private parameters */ struct global_process_element_struct global_process_element; struct scattering_process_struct This_process; struct Incoherent_physics_storage_struct Incoherent_storage; double effective_my_scattering; }; /* _struct_Incoherent_process_parameters */ typedef struct _struct_Incoherent_process_parameters _class_Incoherent_process_parameters; /* Parameters for component type 'Incoherent_process' */ struct _struct_Incoherent_process { char _name[256]; /* e.g. YBaCuO_incoherent */ char _type[256]; /* Incoherent_process */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Incoherent_process_parameters _parameters; }; typedef struct _struct_Incoherent_process _class_Incoherent_process; _class_Incoherent_process _YBaCuO_incoherent_var; #pragma acc declare create ( _YBaCuO_incoherent_var ) /* component single_crystal_orientation_110_vertical=Arm() [3] DECLARE */ /* Parameter definition for component type 'Arm' */ struct _struct_Arm_parameters { char Arm_has_no_parameters; }; /* _struct_Arm_parameters */ typedef struct _struct_Arm_parameters _class_Arm_parameters; /* Parameters for component type 'Arm' */ struct _struct_Arm { char _name[256]; /* e.g. single_crystal_orientation_110_vertical */ char _type[256]; /* Arm */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Arm_parameters _parameters; }; typedef struct _struct_Arm _class_Arm; _class_Arm _single_crystal_orientation_110_vertical_var; #pragma acc declare create ( _single_crystal_orientation_110_vertical_var ) _class_Arm _single_crystal_orientation_001_along_x_var; #pragma acc declare create ( _single_crystal_orientation_001_along_x_var ) /* component YBaCuO_single_crystal=Single_crystal_process() [5] DECLARE */ /* Parameter definition for component type 'Single_crystal_process' */ struct _struct_Single_crystal_process_parameters { /* Component type 'Single_crystal_process' setting parameters */ char reflections[16384]; MCNUM delta_d_d; MCNUM mosaic; MCNUM mosaic_a; MCNUM mosaic_b; MCNUM mosaic_c; MCNUM mosaic_AB[8]; MCNUM recip_cell; MCNUM barns; MCNUM ax; MCNUM ay; MCNUM az; MCNUM bx; MCNUM by; MCNUM bz; MCNUM cx; MCNUM cy; MCNUM cz; MCNUM aa; MCNUM bb; MCNUM cc; MCNUM order; MCNUM RX; MCNUM RY; MCNUM RZ; MCNUM powder; MCNUM PG; MCNUM interact_fraction; MCNUM packing_factor; char init[16384]; /* Component type 'Single_crystal_process' private parameters */ struct Single_crystal_physics_storage_struct Single_crystal_storage; struct hkl_info_struct_union hkl_info_union; struct global_process_element_struct global_process_element; struct scattering_process_struct This_process; }; /* _struct_Single_crystal_process_parameters */ typedef struct _struct_Single_crystal_process_parameters _class_Single_crystal_process_parameters; /* Parameters for component type 'Single_crystal_process' */ struct _struct_Single_crystal_process { char _name[256]; /* e.g. YBaCuO_single_crystal */ char _type[256]; /* Single_crystal_process */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Single_crystal_process_parameters _parameters; }; typedef struct _struct_Single_crystal_process _class_Single_crystal_process; _class_Single_crystal_process _YBaCuO_single_crystal_var; #pragma acc declare create ( _YBaCuO_single_crystal_var ) /* component YBaCuO=Union_make_material() [6] DECLARE */ /* Parameter definition for component type 'Union_make_material' */ struct _struct_Union_make_material_parameters { /* Component type 'Union_make_material' setting parameters */ char process_string[16384]; MCNUM my_absorption; MCNUM absorber; MCNUM refraction_density; MCNUM refraction_sigma_coh; MCNUM refraction_weight; MCNUM refraction_SLD; char init[16384]; /* Component type 'Union_make_material' private parameters */ struct global_material_element_struct global_material_element; struct physics_struct this_material; int loop_index; int found_process; int specified_processes; char local_string[256]; struct pointer_to_1d_int_list accepted_processes; }; /* _struct_Union_make_material_parameters */ typedef struct _struct_Union_make_material_parameters _class_Union_make_material_parameters; /* Parameters for component type 'Union_make_material' */ struct _struct_Union_make_material { char _name[256]; /* e.g. YBaCuO */ char _type[256]; /* Union_make_material */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Union_make_material_parameters _parameters; }; typedef struct _struct_Union_make_material _class_Union_make_material; _class_Union_make_material _YBaCuO_var; #pragma acc declare create ( _YBaCuO_var ) /* component Origin=Progress_bar() [7] DECLARE */ /* Parameter definition for component type 'Progress_bar' */ struct _struct_Progress_bar_parameters { /* Component type 'Progress_bar' setting parameters */ char profile[16384]; MCNUM percent; MCNUM flag_save; MCNUM minutes; /* Component type 'Progress_bar' private parameters */ double IntermediateCnts; time_t StartTime; time_t EndTime; time_t CurrentTime; char infostring[64]; }; /* _struct_Progress_bar_parameters */ typedef struct _struct_Progress_bar_parameters _class_Progress_bar_parameters; /* Parameters for component type 'Progress_bar' */ struct _struct_Progress_bar { char _name[256]; /* e.g. Origin */ char _type[256]; /* Progress_bar */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Progress_bar_parameters _parameters; }; typedef struct _struct_Progress_bar _class_Progress_bar; _class_Progress_bar _Origin_var; #pragma acc declare create ( _Origin_var ) /* component source=Source_simple() [8] DECLARE */ /* Parameter definition for component type 'Source_simple' */ struct _struct_Source_simple_parameters { /* Component type 'Source_simple' setting parameters */ MCNUM radius; MCNUM yheight; MCNUM xwidth; MCNUM dist; MCNUM focus_xw; MCNUM focus_yh; MCNUM E0; MCNUM dE; MCNUM lambda0; MCNUM dlambda; MCNUM flux; MCNUM gauss; int target_index; /* Component type 'Source_simple' private parameters */ double pmul; double srcArea; int square; double tx; double ty; double tz; }; /* _struct_Source_simple_parameters */ typedef struct _struct_Source_simple_parameters _class_Source_simple_parameters; /* Parameters for component type 'Source_simple' */ struct _struct_Source_simple { char _name[256]; /* e.g. source */ char _type[256]; /* Source_simple */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Source_simple_parameters _parameters; }; typedef struct _struct_Source_simple _class_Source_simple; _class_Source_simple _source_var; #pragma acc declare create ( _source_var ) /* component slit=Slit() [9] DECLARE */ /* Parameter definition for component type 'Slit' */ struct _struct_Slit_parameters { /* Component type 'Slit' setting parameters */ MCNUM xmin; MCNUM xmax; MCNUM ymin; MCNUM ymax; MCNUM radius; MCNUM xwidth; MCNUM yheight; /* Component type 'Slit' private parameters */ char isradial; }; /* _struct_Slit_parameters */ typedef struct _struct_Slit_parameters _class_Slit_parameters; /* Parameters for component type 'Slit' */ struct _struct_Slit { char _name[256]; /* e.g. slit */ char _type[256]; /* Slit */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Slit_parameters _parameters; }; typedef struct _struct_Slit _class_Slit; _class_Slit _slit_var; #pragma acc declare create ( _slit_var ) /* component cylinder_sample_union=Union_cylinder() [10] DECLARE */ /* Parameter definition for component type 'Union_cylinder' */ struct _struct_Union_cylinder_parameters { /* Component type 'Union_cylinder' setting parameters */ char material_string[16384]; MCNUM priority; MCNUM radius; MCNUM yheight; MCNUM visualize; int target_index; MCNUM target_x; MCNUM target_y; MCNUM target_z; MCNUM focus_aw; MCNUM focus_ah; MCNUM focus_xw; MCNUM focus_xh; MCNUM focus_r; MCNUM p_interact; char mask_string[16384]; char mask_setting[16384]; MCNUM number_of_activations; char curved_surface[16384]; char top_surface[16384]; char bottom_surface[16384]; char all_face_surface[16384]; char cut_surface[16384]; char init[16384]; /* Component type 'Union_cylinder' private parameters */ struct global_geometry_element_struct global_geometry_element; int loop_index; int loop_2_index; int material_index; struct Volume_struct this_cylinder_volume; struct cylinder_storage this_cylinder_storage; struct surface_stack_struct curved_surface_stack; struct surface_stack_struct top_surface_stack; struct surface_stack_struct bottom_surface_stack; struct surface_stack_struct cut_surface_stack; }; /* _struct_Union_cylinder_parameters */ typedef struct _struct_Union_cylinder_parameters _class_Union_cylinder_parameters; /* Parameters for component type 'Union_cylinder' */ struct _struct_Union_cylinder { char _name[256]; /* e.g. cylinder_sample_union */ char _type[256]; /* Union_cylinder */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Union_cylinder_parameters _parameters; }; typedef struct _struct_Union_cylinder _class_Union_cylinder; _class_Union_cylinder _cylinder_sample_union_var; #pragma acc declare create ( _cylinder_sample_union_var ) /* component test_sample=Union_master() [11] DECLARE */ /* Parameter definition for component type 'Union_master' */ struct _struct_Union_master_parameters { /* Component type 'Union_master' setting parameters */ int enable_refraction; int enable_reflection; MCNUM verbal; MCNUM list_verbal; MCNUM finally_verbal; MCNUM allow_inside_start; MCNUM enable_tagging; MCNUM history_limit; MCNUM enable_conditionals; MCNUM inherit_number_of_scattering_events; MCNUM weight_ratio_limit; char init[16384]; /* Component type 'Union_master' private parameters */ struct global_positions_to_transform_list_struct* global_positions_to_transform_list_master; struct global_rotations_to_transform_list_struct* global_rotations_to_transform_list_master; struct pointer_to_global_process_list* global_process_list_master; struct pointer_to_global_material_list* global_material_list_master; struct pointer_to_global_surface_list* global_surface_list_master; struct pointer_to_global_geometry_list* global_geometry_list_master; struct pointer_to_global_logger_list* global_all_volume_logger_list_master; struct pointer_to_global_logger_list* global_specific_volumes_logger_list_master; struct pointer_to_global_abs_logger_list* global_all_volume_abs_logger_list_master; struct pointer_to_global_abs_logger_list* global_specific_volumes_abs_logger_list_master; struct global_tagging_conditional_list_struct* global_tagging_conditional_list_master; struct pointer_to_global_master_list* global_master_list_master; int starting_volume_warning; struct global_master_element_struct global_master_element; int this_global_master_index; int previous_master_index; int geometry_list_index; struct intersection_time_table_struct intersection_time_table; struct Volume_struct** Volumes; struct geometry_struct** Geometries; struct Volume_struct** Volume_copies; struct starting_lists_struct starting_lists; struct pointer_to_1d_int_list Volume_copies_allocated; double r[3]; double r_start[3]; double v[3]; int error_msg; int component_error_msg; char string_output[128]; int number_of_volumes; int volume_index; int process_index; int iterator; int solutions; int max_number_of_processes; int limit; int solution; int min_solution; int ignore_closest; int ignore_surface_index; int min_volume; int time_found; double intersection_time; double min_intersection_time; struct scattering_process_struct* process; struct scattering_process_struct* process_start; double* my_trace; double* p_my_trace; double* my_trace_fraction_control; double k[3]; double k_new[3]; double k_old[3]; double k_rotated[3]; double v_length; double my_sum; double my_sum_plus_abs; double culmative_probability; double mc_prop; double time_to_scattering; double length_to_scattering; double length_to_boundary; double time_to_boundery; int selected_process; int scattering_event; double time_propagated_without_scattering; int a_next_volume_found; int next_volume; double next_volume_priority; int done; int current_volume; int previous_volume; int ray_sucseeded; int* number_of_solutions; int number_of_solutions_static; int* check; int* start; int intersection_with_children; int geometry_output; int tree_next_volume; int* pre_allocated1; int* pre_allocated2; int* pre_allocated3; Coords ray_position; Coords ray_velocity; Coords ray_velocity_rotated; Coords ray_velocity_final; Coords wavevector; Coords wavevector_rotated; int volume_0_found; int* scattered_flag; int** scattered_flag_VP; Rotation master_transposed_rotation_matrix; Rotation temp_rotation_matrix; Rotation temp_transpose_rotation_matrix; Coords non_rotated_position; Coords rotated_position; int non_isotropic_found; struct list_of_tagging_tree_node_pointers master_tagging_node_list; struct tagging_tree_node_struct* current_tagging_node; int tagging_leaf_counter; int stop_tagging_ray; int stop_creating_nodes; int number_of_scattering_events; double real_transmission_probability; double mc_transmission_probability; int number_of_process_interacts_set; int index_of_lacking_process; double total_process_interact; struct pointer_to_1d_int_list geometry_component_index_list; struct pointer_to_1d_int_list mask_volume_index_list; int number_of_masks; int number_of_masked_volumes; struct pointer_to_1d_int_list mask_status_list; struct pointer_to_1d_int_list current_mask_intersect_list_status; int mask_index_main; int mask_iterator; int* mask_start; int* mask_check; int need_to_run_within_which_volume; int* number_of_processes_array; double p_old; int log_index; int conditional_status; struct logger_struct* this_logger; struct abs_logger_struct* this_abs_logger; struct conditional_list_struct* tagging_conditional_list; int* logger_conditional_extend_array; int* abs_logger_conditional_extend_array; int max_conditional_extend_index; int tagging_conditional_extend; int free_tagging_conditioanl_list; double safety_distance; double safety_distance2; struct focus_data_struct temporary_focus_data; struct focus_data_struct* this_focus_data; int focus_data_index; double r_old[3]; double initial_weight; double abs_weight_factor; double time_old; int absorption_index; int abs_weight_factor_set; double my_abs; struct abs_event absorption_event_data[1000]; Coords abs_position; Coords transformed_abs_position; double t_abs_propagation; double abs_distance; double abs_max_length; int longest_surface_stack; struct surface_stack_struct interface_stack; }; /* _struct_Union_master_parameters */ typedef struct _struct_Union_master_parameters _class_Union_master_parameters; /* Parameters for component type 'Union_master' */ struct _struct_Union_master { char _name[256]; /* e.g. test_sample */ char _type[256]; /* Union_master */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Union_master_parameters _parameters; }; typedef struct _struct_Union_master _class_Union_master; _class_Union_master _test_sample_var; #pragma acc declare create ( _test_sample_var ) /* component det=PSD_monitor_4PI() [12] DECLARE */ /* Parameter definition for component type 'PSD_monitor_4PI' */ struct _struct_PSD_monitor_4PI_parameters { /* Component type 'PSD_monitor_4PI' setting parameters */ int nx; int ny; char filename[16384]; int nowritefile; MCNUM radius; int restore_neutron; /* Component type 'PSD_monitor_4PI' private parameters */ DArray2d PSD_N; DArray2d PSD_p; DArray2d PSD_p2; }; /* _struct_PSD_monitor_4PI_parameters */ typedef struct _struct_PSD_monitor_4PI_parameters _class_PSD_monitor_4PI_parameters; /* Parameters for component type 'PSD_monitor_4PI' */ struct _struct_PSD_monitor_4PI { char _name[256]; /* e.g. det */ char _type[256]; /* PSD_monitor_4PI */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_PSD_monitor_4PI_parameters _parameters; }; typedef struct _struct_PSD_monitor_4PI _class_PSD_monitor_4PI; _class_PSD_monitor_4PI _det_var; #pragma acc declare create ( _det_var ) /* component Banana_monitor=Monitor_nD() [13] DECLARE */ /* Parameter definition for component type 'Monitor_nD' */ struct _struct_Monitor_nD_parameters { /* Component type 'Monitor_nD' setting parameters */ char user1[16384]; char user2[16384]; char user3[16384]; MCNUM xwidth; MCNUM yheight; MCNUM zdepth; MCNUM xmin; MCNUM xmax; MCNUM ymin; MCNUM ymax; MCNUM zmin; MCNUM zmax; int bins; MCNUM min; MCNUM max; int restore_neutron; MCNUM radius; char options[16384]; char filename[16384]; char geometry[16384]; int nowritefile; int nexus_bins; char username1[16384]; char username2[16384]; char username3[16384]; /* Component type 'Monitor_nD' private parameters */ MonitornD_Defines_type DEFS; MonitornD_Variables_type Vars; MCDETECTOR detector; off_struct offdata; }; /* _struct_Monitor_nD_parameters */ typedef struct _struct_Monitor_nD_parameters _class_Monitor_nD_parameters; /* Parameters for component type 'Monitor_nD' */ struct _struct_Monitor_nD { char _name[256]; /* e.g. Banana_monitor */ char _type[256]; /* Monitor_nD */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Monitor_nD_parameters _parameters; }; typedef struct _struct_Monitor_nD _class_Monitor_nD; _class_Monitor_nD _Banana_monitor_var; #pragma acc declare create ( _Banana_monitor_var ) /* component PSDlin_transmission_scattered=PSDlin_monitor() [14] DECLARE */ /* Parameter definition for component type 'PSDlin_monitor' */ struct _struct_PSDlin_monitor_parameters { /* Component type 'PSDlin_monitor' setting parameters */ int nbins; char filename[16384]; MCNUM xmin; MCNUM xmax; MCNUM ymin; MCNUM ymax; int nowritefile; MCNUM xwidth; MCNUM yheight; int restore_neutron; int vertical; /* Component type 'PSDlin_monitor' private parameters */ DArray1d PSDlin_N; DArray1d PSDlin_p; DArray1d PSDlin_p2; }; /* _struct_PSDlin_monitor_parameters */ typedef struct _struct_PSDlin_monitor_parameters _class_PSDlin_monitor_parameters; /* Parameters for component type 'PSDlin_monitor' */ struct _struct_PSDlin_monitor { char _name[256]; /* e.g. PSDlin_transmission_scattered */ char _type[256]; /* PSDlin_monitor */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_PSDlin_monitor_parameters _parameters; }; typedef struct _struct_PSDlin_monitor _class_PSDlin_monitor; _class_PSDlin_monitor _PSDlin_transmission_scattered_var; #pragma acc declare create ( _PSDlin_transmission_scattered_var ) _class_PSDlin_monitor _PSDlin_transmission_transmitted_var; #pragma acc declare create ( _PSDlin_transmission_transmitted_var ) /* component stop=Union_stop() [16] DECLARE */ /* Parameter definition for component type 'Union_stop' */ struct _struct_Union_stop_parameters { char Union_stop_has_no_parameters; }; /* _struct_Union_stop_parameters */ typedef struct _struct_Union_stop_parameters _class_Union_stop_parameters; /* Parameters for component type 'Union_stop' */ struct _struct_Union_stop { char _name[256]; /* e.g. stop */ char _type[256]; /* Union_stop */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Union_stop_parameters _parameters; }; typedef struct _struct_Union_stop _class_Union_stop; _class_Union_stop _stop_var; #pragma acc declare create ( _stop_var ) int mcNUMCOMP = 16; /* User declarations from instrument definition. Can define functions. */ #undef compcurname #undef compcurtype #undef compcurindex /* end of instrument 'Laue_camera' and components DECLARE */ /* ***************************************************************************** * instrument 'Laue_camera' and components INITIALISE ***************************************************************************** */ double index_getdistance(int first_index, int second_index) /* Calculate the distance two components from their indexes*/ { return coords_len(coords_sub(POS_A_COMP_INDEX(first_index), POS_A_COMP_INDEX(second_index))); } double getdistance(char* first_component, char* second_component) /* Calculate the distance between two named components */ { int first_index = _getcomp_index(first_component); int second_index = _getcomp_index(second_component); return index_getdistance(first_index, second_index); } double checked_setpos_getdistance(int current_index, char* first_component, char* second_component) /* Calculate the distance between two named components at *_setpos() time, with component index checking */ { int first_index = _getcomp_index(first_component); int second_index = _getcomp_index(second_component); if (first_index >= current_index || second_index >= current_index) { printf("setpos_getdistance can only be used with the names of components before the current one!\n"); return 0; } return index_getdistance(first_index, second_index); } #define setpos_getdistance(first, second) checked_setpos_getdistance(current_setpos_index, first, second) /* component init=Union_init() SETTING, POSITION/ROTATION */ int _init_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_init_setpos] component init=Union_init() SETTING [Union_init:0]"); stracpy(_init_var._name, "init", 16384); stracpy(_init_var._type, "Union_init", 16384); _init_var._index=1; int current_setpos_index = 1; /* component init=Union_init() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(_init_var._rotation_absolute, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_copy(_init_var._rotation_relative, _init_var._rotation_absolute); _init_var._rotation_is_identity = rot_test_identity(_init_var._rotation_relative); _init_var._position_absolute = coords_set( 0, 0, 0); tc1 = coords_neg(_init_var._position_absolute); _init_var._position_relative = rot_apply(_init_var._rotation_absolute, tc1); } /* init=Union_init() AT ROTATED */ DEBUG_COMPONENT("init", _init_var._position_absolute, _init_var._rotation_absolute); instrument->_position_absolute[1] = _init_var._position_absolute; instrument->_position_relative[1] = _init_var._position_relative; _init_var._position_relative_is_zero = coords_test_zero(_init_var._position_relative); instrument->counter_N[1] = instrument->counter_P[1] = instrument->counter_P2[1] = 0; instrument->counter_AbsorbProp[1]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0000_init", _init_var._position_absolute, _init_var._rotation_absolute, "Union_init"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _init_setpos */ /* component YBaCuO_incoherent=Incoherent_process() SETTING, POSITION/ROTATION */ int _YBaCuO_incoherent_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_YBaCuO_incoherent_setpos] component YBaCuO_incoherent=Incoherent_process() SETTING [Incoherent_process:0]"); stracpy(_YBaCuO_incoherent_var._name, "YBaCuO_incoherent", 16384); stracpy(_YBaCuO_incoherent_var._type, "Incoherent_process", 16384); _YBaCuO_incoherent_var._index=2; int current_setpos_index = 2; _YBaCuO_incoherent_var._parameters.sigma = 2.105; _YBaCuO_incoherent_var._parameters.f_QE = 0; _YBaCuO_incoherent_var._parameters.gamma = 0; _YBaCuO_incoherent_var._parameters.packing_factor = 1; _YBaCuO_incoherent_var._parameters.unit_cell_volume = 173.28; _YBaCuO_incoherent_var._parameters.interact_fraction = -1; if("init" && strlen("init")) stracpy(_YBaCuO_incoherent_var._parameters.init, "init" ? "init" : "", 16384); else _YBaCuO_incoherent_var._parameters.init[0]='\0'; /* component YBaCuO_incoherent=Incoherent_process() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(_YBaCuO_incoherent_var._rotation_absolute, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_copy(_YBaCuO_incoherent_var._rotation_relative, _YBaCuO_incoherent_var._rotation_absolute); _YBaCuO_incoherent_var._rotation_is_identity = rot_test_identity(_YBaCuO_incoherent_var._rotation_relative); _YBaCuO_incoherent_var._position_absolute = coords_set( 0, 0, 0); tc1 = coords_neg(_YBaCuO_incoherent_var._position_absolute); _YBaCuO_incoherent_var._position_relative = rot_apply(_YBaCuO_incoherent_var._rotation_absolute, tc1); } /* YBaCuO_incoherent=Incoherent_process() AT ROTATED */ DEBUG_COMPONENT("YBaCuO_incoherent", _YBaCuO_incoherent_var._position_absolute, _YBaCuO_incoherent_var._rotation_absolute); instrument->_position_absolute[2] = _YBaCuO_incoherent_var._position_absolute; instrument->_position_relative[2] = _YBaCuO_incoherent_var._position_relative; _YBaCuO_incoherent_var._position_relative_is_zero = coords_test_zero(_YBaCuO_incoherent_var._position_relative); instrument->counter_N[2] = instrument->counter_P[2] = instrument->counter_P2[2] = 0; instrument->counter_AbsorbProp[2]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0001_YBaCuO_incoherent", _YBaCuO_incoherent_var._position_absolute, _YBaCuO_incoherent_var._rotation_absolute, "Incoherent_process"); mccomp_param_nexus(nxhandle,"0001_YBaCuO_incoherent", "sigma", "5.08", "2.105","MCNUM"); mccomp_param_nexus(nxhandle,"0001_YBaCuO_incoherent", "f_QE", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0001_YBaCuO_incoherent", "gamma", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0001_YBaCuO_incoherent", "packing_factor", "1", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0001_YBaCuO_incoherent", "unit_cell_volume", "13.8", "173.28","MCNUM"); mccomp_param_nexus(nxhandle,"0001_YBaCuO_incoherent", "interact_fraction", "-1", "-1","MCNUM"); mccomp_param_nexus(nxhandle,"0001_YBaCuO_incoherent", "init", "init", "init", "char*"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _YBaCuO_incoherent_setpos */ /* component single_crystal_orientation_110_vertical=Arm() SETTING, POSITION/ROTATION */ int _single_crystal_orientation_110_vertical_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_single_crystal_orientation_110_vertical_setpos] component single_crystal_orientation_110_vertical=Arm() SETTING [Arm:0]"); stracpy(_single_crystal_orientation_110_vertical_var._name, "single_crystal_orientation_110_vertical", 16384); stracpy(_single_crystal_orientation_110_vertical_var._type, "Arm", 16384); _single_crystal_orientation_110_vertical_var._index=3; int current_setpos_index = 3; /* component single_crystal_orientation_110_vertical=Arm() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(_single_crystal_orientation_110_vertical_var._rotation_absolute, (0)*DEG2RAD, (0)*DEG2RAD, (45)*DEG2RAD); rot_copy(_single_crystal_orientation_110_vertical_var._rotation_relative, _single_crystal_orientation_110_vertical_var._rotation_absolute); _single_crystal_orientation_110_vertical_var._rotation_is_identity = rot_test_identity(_single_crystal_orientation_110_vertical_var._rotation_relative); _single_crystal_orientation_110_vertical_var._position_absolute = coords_set( 0, 0, 0); tc1 = coords_neg(_single_crystal_orientation_110_vertical_var._position_absolute); _single_crystal_orientation_110_vertical_var._position_relative = rot_apply(_single_crystal_orientation_110_vertical_var._rotation_absolute, tc1); } /* single_crystal_orientation_110_vertical=Arm() AT ROTATED */ DEBUG_COMPONENT("single_crystal_orientation_110_vertical", _single_crystal_orientation_110_vertical_var._position_absolute, _single_crystal_orientation_110_vertical_var._rotation_absolute); instrument->_position_absolute[3] = _single_crystal_orientation_110_vertical_var._position_absolute; instrument->_position_relative[3] = _single_crystal_orientation_110_vertical_var._position_relative; _single_crystal_orientation_110_vertical_var._position_relative_is_zero = coords_test_zero(_single_crystal_orientation_110_vertical_var._position_relative); instrument->counter_N[3] = instrument->counter_P[3] = instrument->counter_P2[3] = 0; instrument->counter_AbsorbProp[3]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0002_single_crystal_orientation_110_vertical", _single_crystal_orientation_110_vertical_var._position_absolute, _single_crystal_orientation_110_vertical_var._rotation_absolute, "Arm"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _single_crystal_orientation_110_vertical_setpos */ /* component single_crystal_orientation_001_along_x=Arm() SETTING, POSITION/ROTATION */ int _single_crystal_orientation_001_along_x_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_single_crystal_orientation_001_along_x_setpos] component single_crystal_orientation_001_along_x=Arm() SETTING [Arm:0]"); stracpy(_single_crystal_orientation_001_along_x_var._name, "single_crystal_orientation_001_along_x", 16384); stracpy(_single_crystal_orientation_001_along_x_var._type, "Arm", 16384); _single_crystal_orientation_001_along_x_var._index=4; int current_setpos_index = 4; /* component single_crystal_orientation_001_along_x=Arm() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0)*DEG2RAD, (90)*DEG2RAD, (0)*DEG2RAD); rot_mul(tr1, _single_crystal_orientation_110_vertical_var._rotation_absolute, _single_crystal_orientation_001_along_x_var._rotation_absolute); rot_copy(_single_crystal_orientation_001_along_x_var._rotation_relative, _single_crystal_orientation_001_along_x_var._rotation_absolute); _single_crystal_orientation_001_along_x_var._rotation_is_identity = rot_test_identity(_single_crystal_orientation_001_along_x_var._rotation_relative); _single_crystal_orientation_001_along_x_var._position_absolute = coords_set( 0, 0, 0); tc1 = coords_neg(_single_crystal_orientation_001_along_x_var._position_absolute); _single_crystal_orientation_001_along_x_var._position_relative = rot_apply(_single_crystal_orientation_001_along_x_var._rotation_absolute, tc1); } /* single_crystal_orientation_001_along_x=Arm() AT ROTATED */ DEBUG_COMPONENT("single_crystal_orientation_001_along_x", _single_crystal_orientation_001_along_x_var._position_absolute, _single_crystal_orientation_001_along_x_var._rotation_absolute); instrument->_position_absolute[4] = _single_crystal_orientation_001_along_x_var._position_absolute; instrument->_position_relative[4] = _single_crystal_orientation_001_along_x_var._position_relative; _single_crystal_orientation_001_along_x_var._position_relative_is_zero = coords_test_zero(_single_crystal_orientation_001_along_x_var._position_relative); instrument->counter_N[4] = instrument->counter_P[4] = instrument->counter_P2[4] = 0; instrument->counter_AbsorbProp[4]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0003_single_crystal_orientation_001_along_x", _single_crystal_orientation_001_along_x_var._position_absolute, _single_crystal_orientation_001_along_x_var._rotation_absolute, "Arm"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _single_crystal_orientation_001_along_x_setpos */ /* component YBaCuO_single_crystal=Single_crystal_process() SETTING, POSITION/ROTATION */ int _YBaCuO_single_crystal_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_YBaCuO_single_crystal_setpos] component YBaCuO_single_crystal=Single_crystal_process() SETTING [Single_crystal_process:0]"); stracpy(_YBaCuO_single_crystal_var._name, "YBaCuO_single_crystal", 16384); stracpy(_YBaCuO_single_crystal_var._type, "Single_crystal_process", 16384); _YBaCuO_single_crystal_var._index=5; int current_setpos_index = 5; if("YBaCuO.lau" && strlen("YBaCuO.lau")) stracpy(_YBaCuO_single_crystal_var._parameters.reflections, "YBaCuO.lau" ? "YBaCuO.lau" : "", 16384); else _YBaCuO_single_crystal_var._parameters.reflections[0]='\0'; _YBaCuO_single_crystal_var._parameters.delta_d_d = 1e-4; _YBaCuO_single_crystal_var._parameters.mosaic = 15; _YBaCuO_single_crystal_var._parameters.mosaic_a = -1; _YBaCuO_single_crystal_var._parameters.mosaic_b = -1; _YBaCuO_single_crystal_var._parameters.mosaic_c = -1; _YBaCuO_single_crystal_var._parameters.mosaic_AB[0] = 0; _YBaCuO_single_crystal_var._parameters.mosaic_AB[1] = 0; _YBaCuO_single_crystal_var._parameters.mosaic_AB[2] = 0; _YBaCuO_single_crystal_var._parameters.mosaic_AB[3] = 0; _YBaCuO_single_crystal_var._parameters.mosaic_AB[4] = 0; _YBaCuO_single_crystal_var._parameters.mosaic_AB[5] = 0; _YBaCuO_single_crystal_var._parameters.mosaic_AB[6] = 0; _YBaCuO_single_crystal_var._parameters.mosaic_AB[7] = 0; _YBaCuO_single_crystal_var._parameters.recip_cell = 0; _YBaCuO_single_crystal_var._parameters.barns = 0; _YBaCuO_single_crystal_var._parameters.ax = 3.8186; _YBaCuO_single_crystal_var._parameters.ay = 0; _YBaCuO_single_crystal_var._parameters.az = 0; _YBaCuO_single_crystal_var._parameters.bx = 0; _YBaCuO_single_crystal_var._parameters.by = 3.8843; _YBaCuO_single_crystal_var._parameters.bz = 0; _YBaCuO_single_crystal_var._parameters.cx = 0; _YBaCuO_single_crystal_var._parameters.cy = 0; _YBaCuO_single_crystal_var._parameters.cz = 11.6777; _YBaCuO_single_crystal_var._parameters.aa = 0; _YBaCuO_single_crystal_var._parameters.bb = 0; _YBaCuO_single_crystal_var._parameters.cc = 0; _YBaCuO_single_crystal_var._parameters.order = 0; _YBaCuO_single_crystal_var._parameters.RX = 0; _YBaCuO_single_crystal_var._parameters.RY = 0; _YBaCuO_single_crystal_var._parameters.RZ = 0; _YBaCuO_single_crystal_var._parameters.powder = 0; _YBaCuO_single_crystal_var._parameters.PG = 0; _YBaCuO_single_crystal_var._parameters.interact_fraction = -1; _YBaCuO_single_crystal_var._parameters.packing_factor = 1; if("init" && strlen("init")) stracpy(_YBaCuO_single_crystal_var._parameters.init, "init" ? "init" : "", 16384); else _YBaCuO_single_crystal_var._parameters.init[0]='\0'; /* component YBaCuO_single_crystal=Single_crystal_process() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(_YBaCuO_single_crystal_var._rotation_absolute, (_instrument_var._parameters.x_rotation_process)*DEG2RAD, (_instrument_var._parameters.y_rotation_process)*DEG2RAD, (_instrument_var._parameters.z_rotation_process)*DEG2RAD); rot_copy(_YBaCuO_single_crystal_var._rotation_relative, _YBaCuO_single_crystal_var._rotation_absolute); _YBaCuO_single_crystal_var._rotation_is_identity = rot_test_identity(_YBaCuO_single_crystal_var._rotation_relative); _YBaCuO_single_crystal_var._position_absolute = coords_set( 0, 0, 0); tc1 = coords_neg(_YBaCuO_single_crystal_var._position_absolute); _YBaCuO_single_crystal_var._position_relative = rot_apply(_YBaCuO_single_crystal_var._rotation_absolute, tc1); } /* YBaCuO_single_crystal=Single_crystal_process() AT ROTATED */ DEBUG_COMPONENT("YBaCuO_single_crystal", _YBaCuO_single_crystal_var._position_absolute, _YBaCuO_single_crystal_var._rotation_absolute); instrument->_position_absolute[5] = _YBaCuO_single_crystal_var._position_absolute; instrument->_position_relative[5] = _YBaCuO_single_crystal_var._position_relative; _YBaCuO_single_crystal_var._position_relative_is_zero = coords_test_zero(_YBaCuO_single_crystal_var._position_relative); instrument->counter_N[5] = instrument->counter_P[5] = instrument->counter_P2[5] = 0; instrument->counter_AbsorbProp[5]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0004_YBaCuO_single_crystal", _YBaCuO_single_crystal_var._position_absolute, _YBaCuO_single_crystal_var._rotation_absolute, "Single_crystal_process"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "reflections", 0, "YBaCuO.lau", "char*"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "delta_d_d", "1e-4", "1e-4","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "mosaic", "-1", "15","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "mosaic_a", "-1", "-1","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "mosaic_b", "-1", "-1","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "mosaic_c", "-1", "-1","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "mosaic_AB", "{ 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 }", "{ 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 }","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "recip_cell", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "barns", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "ax", "0", "3.8186","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "ay", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "az", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "bx", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "by", "0", "3.8843","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "bz", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "cx", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "cy", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "cz", "0", "11.6777","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "aa", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "bb", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "cc", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "order", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "RX", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "RY", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "RZ", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "powder", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "PG", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "interact_fraction", "-1", "-1","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "packing_factor", "1", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0004_YBaCuO_single_crystal", "init", "init", "init", "char*"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _YBaCuO_single_crystal_setpos */ /* component YBaCuO=Union_make_material() SETTING, POSITION/ROTATION */ int _YBaCuO_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_YBaCuO_setpos] component YBaCuO=Union_make_material() SETTING [Union_make_material:0]"); stracpy(_YBaCuO_var._name, "YBaCuO", 16384); stracpy(_YBaCuO_var._type, "Union_make_material", 16384); _YBaCuO_var._index=6; int current_setpos_index = 6; if("YBaCuO_incoherent,YBaCuO_single_crystal" && strlen("YBaCuO_incoherent,YBaCuO_single_crystal")) stracpy(_YBaCuO_var._parameters.process_string, "YBaCuO_incoherent,YBaCuO_single_crystal" ? "YBaCuO_incoherent,YBaCuO_single_crystal" : "", 16384); else _YBaCuO_var._parameters.process_string[0]='\0'; _YBaCuO_var._parameters.my_absorption = 100 * 87.73759 / 1086.3739; _YBaCuO_var._parameters.absorber = 0; _YBaCuO_var._parameters.refraction_density = 0; _YBaCuO_var._parameters.refraction_sigma_coh = 0; _YBaCuO_var._parameters.refraction_weight = 0; _YBaCuO_var._parameters.refraction_SLD = -1500; if("init" && strlen("init")) stracpy(_YBaCuO_var._parameters.init, "init" ? "init" : "", 16384); else _YBaCuO_var._parameters.init[0]='\0'; /* component YBaCuO=Union_make_material() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(_YBaCuO_var._rotation_absolute, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_transpose(_YBaCuO_single_crystal_var._rotation_absolute, tr1); rot_mul(_YBaCuO_var._rotation_absolute, tr1, _YBaCuO_var._rotation_relative); _YBaCuO_var._rotation_is_identity = rot_test_identity(_YBaCuO_var._rotation_relative); _YBaCuO_var._position_absolute = coords_set( 0, 0, 0); tc1 = coords_sub(_YBaCuO_single_crystal_var._position_absolute, _YBaCuO_var._position_absolute); _YBaCuO_var._position_relative = rot_apply(_YBaCuO_var._rotation_absolute, tc1); } /* YBaCuO=Union_make_material() AT ROTATED */ DEBUG_COMPONENT("YBaCuO", _YBaCuO_var._position_absolute, _YBaCuO_var._rotation_absolute); instrument->_position_absolute[6] = _YBaCuO_var._position_absolute; instrument->_position_relative[6] = _YBaCuO_var._position_relative; _YBaCuO_var._position_relative_is_zero = coords_test_zero(_YBaCuO_var._position_relative); instrument->counter_N[6] = instrument->counter_P[6] = instrument->counter_P2[6] = 0; instrument->counter_AbsorbProp[6]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0005_YBaCuO", _YBaCuO_var._position_absolute, _YBaCuO_var._rotation_absolute, "Union_make_material"); mccomp_param_nexus(nxhandle,"0005_YBaCuO", "process_string", "NULL", "YBaCuO_incoherent,YBaCuO_single_crystal", "char*"); mccomp_param_nexus(nxhandle,"0005_YBaCuO", "my_absorption", "NONE", "100 * 87.73759 / 1086.3739","MCNUM"); mccomp_param_nexus(nxhandle,"0005_YBaCuO", "absorber", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0005_YBaCuO", "refraction_density", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0005_YBaCuO", "refraction_sigma_coh", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0005_YBaCuO", "refraction_weight", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0005_YBaCuO", "refraction_SLD", "-1500", "-1500","MCNUM"); mccomp_param_nexus(nxhandle,"0005_YBaCuO", "init", "init", "init", "char*"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _YBaCuO_setpos */ /* component Origin=Progress_bar() SETTING, POSITION/ROTATION */ int _Origin_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_Origin_setpos] component Origin=Progress_bar() SETTING [Progress_bar:0]"); stracpy(_Origin_var._name, "Origin", 16384); stracpy(_Origin_var._type, "Progress_bar", 16384); _Origin_var._index=7; int current_setpos_index = 7; if("NULL" && strlen("NULL")) stracpy(_Origin_var._parameters.profile, "NULL" ? "NULL" : "", 16384); else _Origin_var._parameters.profile[0]='\0'; _Origin_var._parameters.percent = 10; _Origin_var._parameters.flag_save = 0; _Origin_var._parameters.minutes = 0; /* component Origin=Progress_bar() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(_Origin_var._rotation_absolute, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_transpose(_YBaCuO_single_crystal_var._rotation_absolute, tr1); rot_mul(_Origin_var._rotation_absolute, tr1, _Origin_var._rotation_relative); _Origin_var._rotation_is_identity = rot_test_identity(_Origin_var._rotation_relative); _Origin_var._position_absolute = coords_set( 0, 0, 0); tc1 = coords_sub(_YBaCuO_single_crystal_var._position_absolute, _Origin_var._position_absolute); _Origin_var._position_relative = rot_apply(_Origin_var._rotation_absolute, tc1); } /* Origin=Progress_bar() AT ROTATED */ DEBUG_COMPONENT("Origin", _Origin_var._position_absolute, _Origin_var._rotation_absolute); instrument->_position_absolute[7] = _Origin_var._position_absolute; instrument->_position_relative[7] = _Origin_var._position_relative; _Origin_var._position_relative_is_zero = coords_test_zero(_Origin_var._position_relative); instrument->counter_N[7] = instrument->counter_P[7] = instrument->counter_P2[7] = 0; instrument->counter_AbsorbProp[7]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0006_Origin", _Origin_var._position_absolute, _Origin_var._rotation_absolute, "Progress_bar"); mccomp_param_nexus(nxhandle,"0006_Origin", "profile", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0006_Origin", "percent", "10", "10","MCNUM"); mccomp_param_nexus(nxhandle,"0006_Origin", "flag_save", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0006_Origin", "minutes", "0", "0","MCNUM"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _Origin_setpos */ /* component source=Source_simple() SETTING, POSITION/ROTATION */ int _source_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_source_setpos] component source=Source_simple() SETTING [Source_simple:0]"); stracpy(_source_var._name, "source", 16384); stracpy(_source_var._type, "Source_simple", 16384); _source_var._index=8; int current_setpos_index = 8; _source_var._parameters.radius = 0.02; _source_var._parameters.yheight = 0; _source_var._parameters.xwidth = 0; _source_var._parameters.dist = 0; _source_var._parameters.focus_xw = 0.01; _source_var._parameters.focus_yh = 0.01; _source_var._parameters.E0 = 0; _source_var._parameters.dE = 0; _source_var._parameters.lambda0 = _instrument_var._parameters.lam0; _source_var._parameters.dlambda = _instrument_var._parameters.dlam; _source_var._parameters.flux = 1e12; _source_var._parameters.gauss = 0; _source_var._parameters.target_index = 1; /* component source=Source_simple() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(_source_var._rotation_absolute, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_transpose(_Origin_var._rotation_absolute, tr1); rot_mul(_source_var._rotation_absolute, tr1, _source_var._rotation_relative); _source_var._rotation_is_identity = rot_test_identity(_source_var._rotation_relative); _source_var._position_absolute = coords_set( 0, 0, 0); tc1 = coords_sub(_Origin_var._position_absolute, _source_var._position_absolute); _source_var._position_relative = rot_apply(_source_var._rotation_absolute, tc1); } /* source=Source_simple() AT ROTATED */ DEBUG_COMPONENT("source", _source_var._position_absolute, _source_var._rotation_absolute); instrument->_position_absolute[8] = _source_var._position_absolute; instrument->_position_relative[8] = _source_var._position_relative; _source_var._position_relative_is_zero = coords_test_zero(_source_var._position_relative); instrument->counter_N[8] = instrument->counter_P[8] = instrument->counter_P2[8] = 0; instrument->counter_AbsorbProp[8]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0007_source", _source_var._position_absolute, _source_var._rotation_absolute, "Source_simple"); mccomp_param_nexus(nxhandle,"0007_source", "radius", "0.1", "0.02","MCNUM"); mccomp_param_nexus(nxhandle,"0007_source", "yheight", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0007_source", "xwidth", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0007_source", "dist", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0007_source", "focus_xw", ".045", "0.01","MCNUM"); mccomp_param_nexus(nxhandle,"0007_source", "focus_yh", ".12", "0.01","MCNUM"); mccomp_param_nexus(nxhandle,"0007_source", "E0", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0007_source", "dE", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0007_source", "lambda0", "0", "_instrument_var._parameters.lam0","MCNUM"); mccomp_param_nexus(nxhandle,"0007_source", "dlambda", "0", "_instrument_var._parameters.dlam","MCNUM"); mccomp_param_nexus(nxhandle,"0007_source", "flux", "1", "1e12","MCNUM"); mccomp_param_nexus(nxhandle,"0007_source", "gauss", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0007_source", "target_index", "1", "1","int"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _source_setpos */ /* component slit=Slit() SETTING, POSITION/ROTATION */ int _slit_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_slit_setpos] component slit=Slit() SETTING [Slit:0]"); stracpy(_slit_var._name, "slit", 16384); stracpy(_slit_var._type, "Slit", 16384); _slit_var._index=9; int current_setpos_index = 9; _slit_var._parameters.xmin = UNSET; _slit_var._parameters.xmax = UNSET; _slit_var._parameters.ymin = UNSET; _slit_var._parameters.ymax = UNSET; _slit_var._parameters.radius = UNSET; _slit_var._parameters.xwidth = 0.01; _slit_var._parameters.yheight = 0.01; /* component slit=Slit() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _source_var._rotation_absolute, _slit_var._rotation_absolute); rot_transpose(_source_var._rotation_absolute, tr1); rot_mul(_slit_var._rotation_absolute, tr1, _slit_var._rotation_relative); _slit_var._rotation_is_identity = rot_test_identity(_slit_var._rotation_relative); tc1 = coords_set( 0, 0, 5); rot_transpose(_source_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _slit_var._position_absolute = coords_add(_source_var._position_absolute, tc2); tc1 = coords_sub(_source_var._position_absolute, _slit_var._position_absolute); _slit_var._position_relative = rot_apply(_slit_var._rotation_absolute, tc1); } /* slit=Slit() AT ROTATED */ DEBUG_COMPONENT("slit", _slit_var._position_absolute, _slit_var._rotation_absolute); instrument->_position_absolute[9] = _slit_var._position_absolute; instrument->_position_relative[9] = _slit_var._position_relative; _slit_var._position_relative_is_zero = coords_test_zero(_slit_var._position_relative); instrument->counter_N[9] = instrument->counter_P[9] = instrument->counter_P2[9] = 0; instrument->counter_AbsorbProp[9]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0008_slit", _slit_var._position_absolute, _slit_var._rotation_absolute, "Slit"); mccomp_param_nexus(nxhandle,"0008_slit", "xmin", "UNSET", "UNSET","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit", "xmax", "UNSET", "UNSET","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit", "ymin", "UNSET", "UNSET","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit", "ymax", "UNSET", "UNSET","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit", "radius", "UNSET", "UNSET","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit", "xwidth", "UNSET", "0.01","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit", "yheight", "UNSET", "0.01","MCNUM"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _slit_setpos */ /* component cylinder_sample_union=Union_cylinder() SETTING, POSITION/ROTATION */ int _cylinder_sample_union_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_cylinder_sample_union_setpos] component cylinder_sample_union=Union_cylinder() SETTING [Union_cylinder:0]"); stracpy(_cylinder_sample_union_var._name, "cylinder_sample_union", 16384); stracpy(_cylinder_sample_union_var._type, "Union_cylinder", 16384); _cylinder_sample_union_var._index=10; int current_setpos_index = 10; if("YBaCuO" && strlen("YBaCuO")) stracpy(_cylinder_sample_union_var._parameters.material_string, "YBaCuO" ? "YBaCuO" : "", 16384); else _cylinder_sample_union_var._parameters.material_string[0]='\0'; _cylinder_sample_union_var._parameters.priority = 1; _cylinder_sample_union_var._parameters.radius = _instrument_var._parameters.radius; _cylinder_sample_union_var._parameters.yheight = _instrument_var._parameters.height; _cylinder_sample_union_var._parameters.visualize = 1; _cylinder_sample_union_var._parameters.target_index = 0; _cylinder_sample_union_var._parameters.target_x = 0; _cylinder_sample_union_var._parameters.target_y = 0; _cylinder_sample_union_var._parameters.target_z = 0; _cylinder_sample_union_var._parameters.focus_aw = 0; _cylinder_sample_union_var._parameters.focus_ah = 0; _cylinder_sample_union_var._parameters.focus_xw = 0; _cylinder_sample_union_var._parameters.focus_xh = 0; _cylinder_sample_union_var._parameters.focus_r = 0; _cylinder_sample_union_var._parameters.p_interact = _instrument_var._parameters.geometry_interact; _cylinder_sample_union_var._parameters.mask_string[0]='\0'; _cylinder_sample_union_var._parameters.mask_setting[0]='\0'; _cylinder_sample_union_var._parameters.number_of_activations = 1; _cylinder_sample_union_var._parameters.curved_surface[0]='\0'; _cylinder_sample_union_var._parameters.top_surface[0]='\0'; _cylinder_sample_union_var._parameters.bottom_surface[0]='\0'; _cylinder_sample_union_var._parameters.all_face_surface[0]='\0'; _cylinder_sample_union_var._parameters.cut_surface[0]='\0'; if("init" && strlen("init")) stracpy(_cylinder_sample_union_var._parameters.init, "init" ? "init" : "", 16384); else _cylinder_sample_union_var._parameters.init[0]='\0'; /* component cylinder_sample_union=Union_cylinder() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (_instrument_var._parameters.x_rotation_geometry)*DEG2RAD, (_instrument_var._parameters.y_rotation_geometry)*DEG2RAD, (0)*DEG2RAD); rot_mul(tr1, _slit_var._rotation_absolute, _cylinder_sample_union_var._rotation_absolute); rot_transpose(_slit_var._rotation_absolute, tr1); rot_mul(_cylinder_sample_union_var._rotation_absolute, tr1, _cylinder_sample_union_var._rotation_relative); _cylinder_sample_union_var._rotation_is_identity = rot_test_identity(_cylinder_sample_union_var._rotation_relative); tc1 = coords_set( 0, 0, 0.1); rot_transpose(_slit_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _cylinder_sample_union_var._position_absolute = coords_add(_slit_var._position_absolute, tc2); tc1 = coords_sub(_slit_var._position_absolute, _cylinder_sample_union_var._position_absolute); _cylinder_sample_union_var._position_relative = rot_apply(_cylinder_sample_union_var._rotation_absolute, tc1); } /* cylinder_sample_union=Union_cylinder() AT ROTATED */ DEBUG_COMPONENT("cylinder_sample_union", _cylinder_sample_union_var._position_absolute, _cylinder_sample_union_var._rotation_absolute); instrument->_position_absolute[10] = _cylinder_sample_union_var._position_absolute; instrument->_position_relative[10] = _cylinder_sample_union_var._position_relative; _cylinder_sample_union_var._position_relative_is_zero = coords_test_zero(_cylinder_sample_union_var._position_relative); instrument->counter_N[10] = instrument->counter_P[10] = instrument->counter_P2[10] = 0; instrument->counter_AbsorbProp[10]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0009_cylinder_sample_union", _cylinder_sample_union_var._position_absolute, _cylinder_sample_union_var._rotation_absolute, "Union_cylinder"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "material_string", 0, "YBaCuO", "char*"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "priority", "NONE", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "radius", "NONE", "_instrument_var._parameters.radius","MCNUM"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "yheight", "NONE", "_instrument_var._parameters.height","MCNUM"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "visualize", "1", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "target_index", "0", "0","int"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "target_x", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "target_y", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "target_z", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "focus_aw", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "focus_ah", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "focus_xw", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "focus_xh", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "focus_r", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "p_interact", "0", "_instrument_var._parameters.geometry_interact","MCNUM"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "mask_string", 0, 0, "char*"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "mask_setting", 0, 0, "char*"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "number_of_activations", "1", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "curved_surface", 0, 0, "char*"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "top_surface", 0, 0, "char*"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "bottom_surface", 0, 0, "char*"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "all_face_surface", 0, 0, "char*"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "cut_surface", 0, 0, "char*"); mccomp_param_nexus(nxhandle,"0009_cylinder_sample_union", "init", "init", "init", "char*"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _cylinder_sample_union_setpos */ /* component test_sample=Union_master() SETTING, POSITION/ROTATION */ int _test_sample_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_test_sample_setpos] component test_sample=Union_master() SETTING [Union_master:0]"); stracpy(_test_sample_var._name, "test_sample", 16384); stracpy(_test_sample_var._type, "Union_master", 16384); _test_sample_var._index=11; int current_setpos_index = 11; _test_sample_var._parameters.enable_refraction = 1; _test_sample_var._parameters.enable_reflection = 1; _test_sample_var._parameters.verbal = 0; _test_sample_var._parameters.list_verbal = 0; _test_sample_var._parameters.finally_verbal = 0; _test_sample_var._parameters.allow_inside_start = 0; _test_sample_var._parameters.enable_tagging = 0; _test_sample_var._parameters.history_limit = 300000; _test_sample_var._parameters.enable_conditionals = 1; _test_sample_var._parameters.inherit_number_of_scattering_events = 0; _test_sample_var._parameters.weight_ratio_limit = 1e-90; if("init" && strlen("init")) stracpy(_test_sample_var._parameters.init, "init" ? "init" : "", 16384); else _test_sample_var._parameters.init[0]='\0'; /* component test_sample=Union_master() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _slit_var._rotation_absolute, _test_sample_var._rotation_absolute); rot_transpose(_slit_var._rotation_absolute, tr1); rot_mul(_test_sample_var._rotation_absolute, tr1, _test_sample_var._rotation_relative); _test_sample_var._rotation_is_identity = rot_test_identity(_test_sample_var._rotation_relative); tc1 = coords_set( 0, 0, 0.1); rot_transpose(_slit_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _test_sample_var._position_absolute = coords_add(_slit_var._position_absolute, tc2); tc1 = coords_sub(_slit_var._position_absolute, _test_sample_var._position_absolute); _test_sample_var._position_relative = rot_apply(_test_sample_var._rotation_absolute, tc1); } /* test_sample=Union_master() AT ROTATED */ DEBUG_COMPONENT("test_sample", _test_sample_var._position_absolute, _test_sample_var._rotation_absolute); instrument->_position_absolute[11] = _test_sample_var._position_absolute; instrument->_position_relative[11] = _test_sample_var._position_relative; _test_sample_var._position_relative_is_zero = coords_test_zero(_test_sample_var._position_relative); instrument->counter_N[11] = instrument->counter_P[11] = instrument->counter_P2[11] = 0; instrument->counter_AbsorbProp[11]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0010_test_sample", _test_sample_var._position_absolute, _test_sample_var._rotation_absolute, "Union_master"); mccomp_param_nexus(nxhandle,"0010_test_sample", "enable_refraction", "1", "1","int"); mccomp_param_nexus(nxhandle,"0010_test_sample", "enable_reflection", "1", "1","int"); mccomp_param_nexus(nxhandle,"0010_test_sample", "verbal", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0010_test_sample", "list_verbal", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0010_test_sample", "finally_verbal", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0010_test_sample", "allow_inside_start", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0010_test_sample", "enable_tagging", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0010_test_sample", "history_limit", "300000", "300000","MCNUM"); mccomp_param_nexus(nxhandle,"0010_test_sample", "enable_conditionals", "1", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0010_test_sample", "inherit_number_of_scattering_events", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0010_test_sample", "weight_ratio_limit", "1e-90", "1e-90","MCNUM"); mccomp_param_nexus(nxhandle,"0010_test_sample", "init", "init", "init", "char*"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _test_sample_setpos */ /* component det=PSD_monitor_4PI() SETTING, POSITION/ROTATION */ int _det_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_det_setpos] component det=PSD_monitor_4PI() SETTING [PSD_monitor_4PI:0]"); stracpy(_det_var._name, "det", 16384); stracpy(_det_var._type, "PSD_monitor_4PI", 16384); _det_var._index=12; int current_setpos_index = 12; _det_var._parameters.nx = 360; _det_var._parameters.ny = 180; if("psd" && strlen("psd")) stracpy(_det_var._parameters.filename, "psd" ? "psd" : "", 16384); else _det_var._parameters.filename[0]='\0'; _det_var._parameters.nowritefile = 0; _det_var._parameters.radius = 1; _det_var._parameters.restore_neutron = 1; /* component det=PSD_monitor_4PI() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0)*DEG2RAD, (0)*DEG2RAD, (0)*DEG2RAD); rot_mul(tr1, _slit_var._rotation_absolute, _det_var._rotation_absolute); rot_transpose(_test_sample_var._rotation_absolute, tr1); rot_mul(_det_var._rotation_absolute, tr1, _det_var._rotation_relative); _det_var._rotation_is_identity = rot_test_identity(_det_var._rotation_relative); tc1 = coords_set( 0, 0, 0.1); rot_transpose(_slit_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _det_var._position_absolute = coords_add(_slit_var._position_absolute, tc2); tc1 = coords_sub(_test_sample_var._position_absolute, _det_var._position_absolute); _det_var._position_relative = rot_apply(_det_var._rotation_absolute, tc1); } /* det=PSD_monitor_4PI() AT ROTATED */ DEBUG_COMPONENT("det", _det_var._position_absolute, _det_var._rotation_absolute); instrument->_position_absolute[12] = _det_var._position_absolute; instrument->_position_relative[12] = _det_var._position_relative; _det_var._position_relative_is_zero = coords_test_zero(_det_var._position_relative); instrument->counter_N[12] = instrument->counter_P[12] = instrument->counter_P2[12] = 0; instrument->counter_AbsorbProp[12]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0011_det", _det_var._position_absolute, _det_var._rotation_absolute, "PSD_monitor_4PI"); mccomp_param_nexus(nxhandle,"0011_det", "nx", "90", "360","int"); mccomp_param_nexus(nxhandle,"0011_det", "ny", "90", "180","int"); mccomp_param_nexus(nxhandle,"0011_det", "filename", 0, "psd", "char*"); mccomp_param_nexus(nxhandle,"0011_det", "nowritefile", "0", "0","int"); mccomp_param_nexus(nxhandle,"0011_det", "radius", "1", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0011_det", "restore_neutron", "0", "1","int"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _det_setpos */ /* component Banana_monitor=Monitor_nD() SETTING, POSITION/ROTATION */ int _Banana_monitor_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_Banana_monitor_setpos] component Banana_monitor=Monitor_nD() SETTING [Monitor_nD:0]"); stracpy(_Banana_monitor_var._name, "Banana_monitor", 16384); stracpy(_Banana_monitor_var._type, "Monitor_nD", 16384); _Banana_monitor_var._index=13; int current_setpos_index = 13; if("" && strlen("")) stracpy(_Banana_monitor_var._parameters.user1, "" ? "" : "", 16384); else _Banana_monitor_var._parameters.user1[0]='\0'; if("" && strlen("")) stracpy(_Banana_monitor_var._parameters.user2, "" ? "" : "", 16384); else _Banana_monitor_var._parameters.user2[0]='\0'; if("" && strlen("")) stracpy(_Banana_monitor_var._parameters.user3, "" ? "" : "", 16384); else _Banana_monitor_var._parameters.user3[0]='\0'; _Banana_monitor_var._parameters.xwidth = 0; _Banana_monitor_var._parameters.yheight = 0.1; _Banana_monitor_var._parameters.zdepth = 0; _Banana_monitor_var._parameters.xmin = 0; _Banana_monitor_var._parameters.xmax = 0; _Banana_monitor_var._parameters.ymin = 0; _Banana_monitor_var._parameters.ymax = 0; _Banana_monitor_var._parameters.zmin = 0; _Banana_monitor_var._parameters.zmax = 0; _Banana_monitor_var._parameters.bins = 0; _Banana_monitor_var._parameters.min = -1e40; _Banana_monitor_var._parameters.max = 1e40; _Banana_monitor_var._parameters.restore_neutron = 1; _Banana_monitor_var._parameters.radius = 1; if("banana, theta limits=[20,170], bins=200" && strlen("banana, theta limits=[20,170], bins=200")) stracpy(_Banana_monitor_var._parameters.options, "banana, theta limits=[20,170], bins=200" ? "banana, theta limits=[20,170], bins=200" : "", 16384); else _Banana_monitor_var._parameters.options[0]='\0'; if("banana.dat" && strlen("banana.dat")) stracpy(_Banana_monitor_var._parameters.filename, "banana.dat" ? "banana.dat" : "", 16384); else _Banana_monitor_var._parameters.filename[0]='\0'; if("NULL" && strlen("NULL")) stracpy(_Banana_monitor_var._parameters.geometry, "NULL" ? "NULL" : "", 16384); else _Banana_monitor_var._parameters.geometry[0]='\0'; _Banana_monitor_var._parameters.nowritefile = 0; _Banana_monitor_var._parameters.nexus_bins = 0; if("NULL" && strlen("NULL")) stracpy(_Banana_monitor_var._parameters.username1, "NULL" ? "NULL" : "", 16384); else _Banana_monitor_var._parameters.username1[0]='\0'; if("NULL" && strlen("NULL")) stracpy(_Banana_monitor_var._parameters.username2, "NULL" ? "NULL" : "", 16384); else _Banana_monitor_var._parameters.username2[0]='\0'; if("NULL" && strlen("NULL")) stracpy(_Banana_monitor_var._parameters.username3, "NULL" ? "NULL" : "", 16384); else _Banana_monitor_var._parameters.username3[0]='\0'; /* component Banana_monitor=Monitor_nD() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0)*DEG2RAD, (0)*DEG2RAD, (0)*DEG2RAD); rot_mul(tr1, _slit_var._rotation_absolute, _Banana_monitor_var._rotation_absolute); rot_transpose(_det_var._rotation_absolute, tr1); rot_mul(_Banana_monitor_var._rotation_absolute, tr1, _Banana_monitor_var._rotation_relative); _Banana_monitor_var._rotation_is_identity = rot_test_identity(_Banana_monitor_var._rotation_relative); tc1 = coords_set( 0, 0, 0.1); rot_transpose(_slit_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _Banana_monitor_var._position_absolute = coords_add(_slit_var._position_absolute, tc2); tc1 = coords_sub(_det_var._position_absolute, _Banana_monitor_var._position_absolute); _Banana_monitor_var._position_relative = rot_apply(_Banana_monitor_var._rotation_absolute, tc1); } /* Banana_monitor=Monitor_nD() AT ROTATED */ DEBUG_COMPONENT("Banana_monitor", _Banana_monitor_var._position_absolute, _Banana_monitor_var._rotation_absolute); instrument->_position_absolute[13] = _Banana_monitor_var._position_absolute; instrument->_position_relative[13] = _Banana_monitor_var._position_relative; _Banana_monitor_var._position_relative_is_zero = coords_test_zero(_Banana_monitor_var._position_relative); instrument->counter_N[13] = instrument->counter_P[13] = instrument->counter_P2[13] = 0; instrument->counter_AbsorbProp[13]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0012_Banana_monitor", _Banana_monitor_var._position_absolute, _Banana_monitor_var._rotation_absolute, "Monitor_nD"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "user1", "", "", "char*"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "user2", "", "", "char*"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "user3", "", "", "char*"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "xwidth", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "yheight", "0", "0.1","MCNUM"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "zdepth", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "xmin", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "xmax", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "ymin", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "ymax", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "zmin", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "zmax", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "bins", "0", "0","int"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "min", "-1e40", "-1e40","MCNUM"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "max", "1e40", "1e40","MCNUM"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "restore_neutron", "0", "1","int"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "radius", "0", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "options", "NULL", "banana, theta limits=[20,170], bins=200", "char*"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "filename", "NULL", "banana.dat", "char*"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "geometry", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "nowritefile", "0", "0","int"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "nexus_bins", "0", "0","int"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "username1", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "username2", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0012_Banana_monitor", "username3", "NULL", "NULL", "char*"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _Banana_monitor_setpos */ /* component PSDlin_transmission_scattered=PSDlin_monitor() SETTING, POSITION/ROTATION */ int _PSDlin_transmission_scattered_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_PSDlin_transmission_scattered_setpos] component PSDlin_transmission_scattered=PSDlin_monitor() SETTING [PSDlin_monitor:0]"); stracpy(_PSDlin_transmission_scattered_var._name, "PSDlin_transmission_scattered", 16384); stracpy(_PSDlin_transmission_scattered_var._type, "PSDlin_monitor", 16384); _PSDlin_transmission_scattered_var._index=14; int current_setpos_index = 14; _PSDlin_transmission_scattered_var._parameters.nbins = 100; if("Output_transmission_lin_scattered.psd" && strlen("Output_transmission_lin_scattered.psd")) stracpy(_PSDlin_transmission_scattered_var._parameters.filename, "Output_transmission_lin_scattered.psd" ? "Output_transmission_lin_scattered.psd" : "", 16384); else _PSDlin_transmission_scattered_var._parameters.filename[0]='\0'; _PSDlin_transmission_scattered_var._parameters.xmin = -0.05; _PSDlin_transmission_scattered_var._parameters.xmax = 0.05; _PSDlin_transmission_scattered_var._parameters.ymin = -0.05; _PSDlin_transmission_scattered_var._parameters.ymax = 0.05; _PSDlin_transmission_scattered_var._parameters.nowritefile = 0; _PSDlin_transmission_scattered_var._parameters.xwidth = 0.15; _PSDlin_transmission_scattered_var._parameters.yheight = 0.01; _PSDlin_transmission_scattered_var._parameters.restore_neutron = 1; _PSDlin_transmission_scattered_var._parameters.vertical = 0; /* component PSDlin_transmission_scattered=PSDlin_monitor() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _slit_var._rotation_absolute, _PSDlin_transmission_scattered_var._rotation_absolute); rot_transpose(_Banana_monitor_var._rotation_absolute, tr1); rot_mul(_PSDlin_transmission_scattered_var._rotation_absolute, tr1, _PSDlin_transmission_scattered_var._rotation_relative); _PSDlin_transmission_scattered_var._rotation_is_identity = rot_test_identity(_PSDlin_transmission_scattered_var._rotation_relative); tc1 = coords_set( 0, 0, 0.5); rot_transpose(_slit_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _PSDlin_transmission_scattered_var._position_absolute = coords_add(_slit_var._position_absolute, tc2); tc1 = coords_sub(_Banana_monitor_var._position_absolute, _PSDlin_transmission_scattered_var._position_absolute); _PSDlin_transmission_scattered_var._position_relative = rot_apply(_PSDlin_transmission_scattered_var._rotation_absolute, tc1); } /* PSDlin_transmission_scattered=PSDlin_monitor() AT ROTATED */ DEBUG_COMPONENT("PSDlin_transmission_scattered", _PSDlin_transmission_scattered_var._position_absolute, _PSDlin_transmission_scattered_var._rotation_absolute); instrument->_position_absolute[14] = _PSDlin_transmission_scattered_var._position_absolute; instrument->_position_relative[14] = _PSDlin_transmission_scattered_var._position_relative; _PSDlin_transmission_scattered_var._position_relative_is_zero = coords_test_zero(_PSDlin_transmission_scattered_var._position_relative); instrument->counter_N[14] = instrument->counter_P[14] = instrument->counter_P2[14] = 0; instrument->counter_AbsorbProp[14]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0013_PSDlin_transmission_scattered", _PSDlin_transmission_scattered_var._position_absolute, _PSDlin_transmission_scattered_var._rotation_absolute, "PSDlin_monitor"); mccomp_param_nexus(nxhandle,"0013_PSDlin_transmission_scattered", "nbins", "20", "100","int"); mccomp_param_nexus(nxhandle,"0013_PSDlin_transmission_scattered", "filename", 0, "Output_transmission_lin_scattered.psd", "char*"); mccomp_param_nexus(nxhandle,"0013_PSDlin_transmission_scattered", "xmin", "-0.05", "-0.05","MCNUM"); mccomp_param_nexus(nxhandle,"0013_PSDlin_transmission_scattered", "xmax", "0.05", "0.05","MCNUM"); mccomp_param_nexus(nxhandle,"0013_PSDlin_transmission_scattered", "ymin", "-0.05", "-0.05","MCNUM"); mccomp_param_nexus(nxhandle,"0013_PSDlin_transmission_scattered", "ymax", "0.05", "0.05","MCNUM"); mccomp_param_nexus(nxhandle,"0013_PSDlin_transmission_scattered", "nowritefile", "0", "0","int"); mccomp_param_nexus(nxhandle,"0013_PSDlin_transmission_scattered", "xwidth", "0", "0.15","MCNUM"); mccomp_param_nexus(nxhandle,"0013_PSDlin_transmission_scattered", "yheight", "0", "0.01","MCNUM"); mccomp_param_nexus(nxhandle,"0013_PSDlin_transmission_scattered", "restore_neutron", "0", "1","int"); mccomp_param_nexus(nxhandle,"0013_PSDlin_transmission_scattered", "vertical", "0", "0","int"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _PSDlin_transmission_scattered_setpos */ /* component PSDlin_transmission_transmitted=PSDlin_monitor() SETTING, POSITION/ROTATION */ int _PSDlin_transmission_transmitted_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_PSDlin_transmission_transmitted_setpos] component PSDlin_transmission_transmitted=PSDlin_monitor() SETTING [PSDlin_monitor:0]"); stracpy(_PSDlin_transmission_transmitted_var._name, "PSDlin_transmission_transmitted", 16384); stracpy(_PSDlin_transmission_transmitted_var._type, "PSDlin_monitor", 16384); _PSDlin_transmission_transmitted_var._index=15; int current_setpos_index = 15; _PSDlin_transmission_transmitted_var._parameters.nbins = 100; if("Output_transmission_lin_transmitted.psd" && strlen("Output_transmission_lin_transmitted.psd")) stracpy(_PSDlin_transmission_transmitted_var._parameters.filename, "Output_transmission_lin_transmitted.psd" ? "Output_transmission_lin_transmitted.psd" : "", 16384); else _PSDlin_transmission_transmitted_var._parameters.filename[0]='\0'; _PSDlin_transmission_transmitted_var._parameters.xmin = -0.05; _PSDlin_transmission_transmitted_var._parameters.xmax = 0.05; _PSDlin_transmission_transmitted_var._parameters.ymin = -0.05; _PSDlin_transmission_transmitted_var._parameters.ymax = 0.05; _PSDlin_transmission_transmitted_var._parameters.nowritefile = 0; _PSDlin_transmission_transmitted_var._parameters.xwidth = 0.15; _PSDlin_transmission_transmitted_var._parameters.yheight = 0.01; _PSDlin_transmission_transmitted_var._parameters.restore_neutron = 1; _PSDlin_transmission_transmitted_var._parameters.vertical = 0; /* component PSDlin_transmission_transmitted=PSDlin_monitor() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _slit_var._rotation_absolute, _PSDlin_transmission_transmitted_var._rotation_absolute); rot_transpose(_PSDlin_transmission_scattered_var._rotation_absolute, tr1); rot_mul(_PSDlin_transmission_transmitted_var._rotation_absolute, tr1, _PSDlin_transmission_transmitted_var._rotation_relative); _PSDlin_transmission_transmitted_var._rotation_is_identity = rot_test_identity(_PSDlin_transmission_transmitted_var._rotation_relative); tc1 = coords_set( 0, 0, 0.5); rot_transpose(_slit_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _PSDlin_transmission_transmitted_var._position_absolute = coords_add(_slit_var._position_absolute, tc2); tc1 = coords_sub(_PSDlin_transmission_scattered_var._position_absolute, _PSDlin_transmission_transmitted_var._position_absolute); _PSDlin_transmission_transmitted_var._position_relative = rot_apply(_PSDlin_transmission_transmitted_var._rotation_absolute, tc1); } /* PSDlin_transmission_transmitted=PSDlin_monitor() AT ROTATED */ DEBUG_COMPONENT("PSDlin_transmission_transmitted", _PSDlin_transmission_transmitted_var._position_absolute, _PSDlin_transmission_transmitted_var._rotation_absolute); instrument->_position_absolute[15] = _PSDlin_transmission_transmitted_var._position_absolute; instrument->_position_relative[15] = _PSDlin_transmission_transmitted_var._position_relative; _PSDlin_transmission_transmitted_var._position_relative_is_zero = coords_test_zero(_PSDlin_transmission_transmitted_var._position_relative); instrument->counter_N[15] = instrument->counter_P[15] = instrument->counter_P2[15] = 0; instrument->counter_AbsorbProp[15]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0014_PSDlin_transmission_transmitted", _PSDlin_transmission_transmitted_var._position_absolute, _PSDlin_transmission_transmitted_var._rotation_absolute, "PSDlin_monitor"); mccomp_param_nexus(nxhandle,"0014_PSDlin_transmission_transmitted", "nbins", "20", "100","int"); mccomp_param_nexus(nxhandle,"0014_PSDlin_transmission_transmitted", "filename", 0, "Output_transmission_lin_transmitted.psd", "char*"); mccomp_param_nexus(nxhandle,"0014_PSDlin_transmission_transmitted", "xmin", "-0.05", "-0.05","MCNUM"); mccomp_param_nexus(nxhandle,"0014_PSDlin_transmission_transmitted", "xmax", "0.05", "0.05","MCNUM"); mccomp_param_nexus(nxhandle,"0014_PSDlin_transmission_transmitted", "ymin", "-0.05", "-0.05","MCNUM"); mccomp_param_nexus(nxhandle,"0014_PSDlin_transmission_transmitted", "ymax", "0.05", "0.05","MCNUM"); mccomp_param_nexus(nxhandle,"0014_PSDlin_transmission_transmitted", "nowritefile", "0", "0","int"); mccomp_param_nexus(nxhandle,"0014_PSDlin_transmission_transmitted", "xwidth", "0", "0.15","MCNUM"); mccomp_param_nexus(nxhandle,"0014_PSDlin_transmission_transmitted", "yheight", "0", "0.01","MCNUM"); mccomp_param_nexus(nxhandle,"0014_PSDlin_transmission_transmitted", "restore_neutron", "0", "1","int"); mccomp_param_nexus(nxhandle,"0014_PSDlin_transmission_transmitted", "vertical", "0", "0","int"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _PSDlin_transmission_transmitted_setpos */ /* component stop=Union_stop() SETTING, POSITION/ROTATION */ int _stop_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_stop_setpos] component stop=Union_stop() SETTING [Union_stop:0]"); stracpy(_stop_var._name, "stop", 16384); stracpy(_stop_var._type, "Union_stop", 16384); _stop_var._index=16; int current_setpos_index = 16; /* component stop=Union_stop() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(_stop_var._rotation_absolute, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_transpose(_PSDlin_transmission_transmitted_var._rotation_absolute, tr1); rot_mul(_stop_var._rotation_absolute, tr1, _stop_var._rotation_relative); _stop_var._rotation_is_identity = rot_test_identity(_stop_var._rotation_relative); _stop_var._position_absolute = coords_set( 0, 0, 0); tc1 = coords_sub(_PSDlin_transmission_transmitted_var._position_absolute, _stop_var._position_absolute); _stop_var._position_relative = rot_apply(_stop_var._rotation_absolute, tc1); } /* stop=Union_stop() AT ROTATED */ DEBUG_COMPONENT("stop", _stop_var._position_absolute, _stop_var._rotation_absolute); instrument->_position_absolute[16] = _stop_var._position_absolute; instrument->_position_relative[16] = _stop_var._position_relative; _stop_var._position_relative_is_zero = coords_test_zero(_stop_var._position_relative); instrument->counter_N[16] = instrument->counter_P[16] = instrument->counter_P2[16] = 0; instrument->counter_AbsorbProp[16]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0015_stop", _stop_var._position_absolute, _stop_var._rotation_absolute, "Union_stop"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _stop_setpos */ _class_Union_init *class_Union_init_init(_class_Union_init *_comp ) { #define global_positions_to_transform_list (_comp->_parameters.global_positions_to_transform_list) #define global_rotations_to_transform_list (_comp->_parameters.global_rotations_to_transform_list) #define global_process_list (_comp->_parameters.global_process_list) #define global_material_list (_comp->_parameters.global_material_list) #define global_surface_list (_comp->_parameters.global_surface_list) #define global_geometry_list (_comp->_parameters.global_geometry_list) #define global_all_volume_logger_list (_comp->_parameters.global_all_volume_logger_list) #define global_specific_volumes_logger_list (_comp->_parameters.global_specific_volumes_logger_list) #define global_all_volume_abs_logger_list (_comp->_parameters.global_all_volume_abs_logger_list) #define global_specific_volumes_abs_logger_list (_comp->_parameters.global_specific_volumes_abs_logger_list) #define global_tagging_conditional_list (_comp->_parameters.global_tagging_conditional_list) #define global_master_list (_comp->_parameters.global_master_list) #define global_mantid_min_pixel_id (_comp->_parameters.global_mantid_min_pixel_id) SIG_MESSAGE("[_init_init] component init=Union_init() INITIALISE [Union_init:0]"); global_positions_to_transform_list.num_elements = 0; global_positions_to_transform_list.positions = NULL; global_rotations_to_transform_list.num_elements = 0; global_rotations_to_transform_list.rotations = NULL; global_process_list.num_elements = 0; global_process_list.elements = NULL; global_material_list.num_elements = 0; global_material_list.elements = NULL; global_surface_list.num_elements = 0; global_surface_list.elements = NULL; global_geometry_list.num_elements = 0; global_geometry_list.elements = NULL; global_all_volume_logger_list.num_elements = 0; global_all_volume_logger_list.elements = NULL; global_specific_volumes_logger_list.num_elements = 0; global_specific_volumes_logger_list.elements = NULL; global_all_volume_abs_logger_list.num_elements = 0; global_all_volume_abs_logger_list.elements = NULL; global_specific_volumes_abs_logger_list.num_elements = 0; global_specific_volumes_abs_logger_list.elements = NULL; global_tagging_conditional_list.num_elements = 0; global_tagging_conditional_list.elements = NULL; global_master_list.num_elements = 0; global_master_list.elements = NULL; global_mantid_min_pixel_id = 0; #undef global_positions_to_transform_list #undef global_rotations_to_transform_list #undef global_process_list #undef global_material_list #undef global_surface_list #undef global_geometry_list #undef global_all_volume_logger_list #undef global_specific_volumes_logger_list #undef global_all_volume_abs_logger_list #undef global_specific_volumes_abs_logger_list #undef global_tagging_conditional_list #undef global_master_list #undef global_mantid_min_pixel_id return(_comp); } /* class_Union_init_init */ _class_Incoherent_process *class_Incoherent_process_init(_class_Incoherent_process *_comp ) { #define sigma (_comp->_parameters.sigma) #define f_QE (_comp->_parameters.f_QE) #define gamma (_comp->_parameters.gamma) #define packing_factor (_comp->_parameters.packing_factor) #define unit_cell_volume (_comp->_parameters.unit_cell_volume) #define interact_fraction (_comp->_parameters.interact_fraction) #define init (_comp->_parameters.init) #define global_process_element (_comp->_parameters.global_process_element) #define This_process (_comp->_parameters.This_process) #define Incoherent_storage (_comp->_parameters.Incoherent_storage) #define effective_my_scattering (_comp->_parameters.effective_my_scattering) SIG_MESSAGE("[_YBaCuO_incoherent_init] component YBaCuO_incoherent=Incoherent_process() INITIALISE [Incoherent_process:0]"); // Initialize done in the component effective_my_scattering = ((packing_factor / unit_cell_volume) * 100 * sigma); Incoherent_storage.my_scattering = effective_my_scattering; Incoherent_storage.QE_sampling_frequency = f_QE; Incoherent_storage.lorentzian_width = gamma; // First initialise This_process with default values: scattering_process_struct_init (&This_process); // Need to specify if this process is isotropic This_process.non_isotropic_rot_index = -1; // Yes (powder) // This_process.non_isotropic_rot_index = 1; // No (single crystal) // Need to specify if this process need to use focusing in calculation of inverse penetration depth (physics_my) // This_process.needs_cross_section_focus = 1; // Yes This_process.needs_cross_section_focus = -1; // No // The type of the process must be saved in the global enum process This_process.eProcess = Incoherent; // Packing the data into a structure that is transported to the main component sprintf (This_process.name, "%s", NAME_CURRENT_COMP); This_process.process_p_interact = interact_fraction; This_process.data_transfer.pointer_to_a_Incoherent_physics_storage_struct = &Incoherent_storage; // This_process.data_transfer.pointer_to_a_Incoherent_physics_storage_struct->my_scattering = effective_my_scattering; This_process.probability_for_scattering_function = &Incoherent_physics_my; This_process.scattering_function = &Incoherent_physics_scattering; // This will be the same for all process's, and can thus be moved to an include. sprintf (global_process_element.name, "%s", NAME_CURRENT_COMP); global_process_element.component_index = INDEX_CURRENT_COMP; global_process_element.p_scattering_process = &This_process; if (_getcomp_index (init) < 0) { fprintf (stderr, "Incoherent_process:%s: Error identifying Union_init component, %s is not a known component name.\n", NAME_CURRENT_COMP, init); exit (-1); } struct pointer_to_global_process_list* global_process_list = COMP_GETPAR3 (Union_init, init, global_process_list); add_element_to_process_list (global_process_list, global_process_element); #undef sigma #undef f_QE #undef gamma #undef packing_factor #undef unit_cell_volume #undef interact_fraction #undef init #undef global_process_element #undef This_process #undef Incoherent_storage #undef effective_my_scattering return(_comp); } /* class_Incoherent_process_init */ _class_Single_crystal_process *class_Single_crystal_process_init(_class_Single_crystal_process *_comp ) { #define reflections (_comp->_parameters.reflections) #define delta_d_d (_comp->_parameters.delta_d_d) #define mosaic (_comp->_parameters.mosaic) #define mosaic_a (_comp->_parameters.mosaic_a) #define mosaic_b (_comp->_parameters.mosaic_b) #define mosaic_c (_comp->_parameters.mosaic_c) #define mosaic_AB (_comp->_parameters.mosaic_AB) #define recip_cell (_comp->_parameters.recip_cell) #define barns (_comp->_parameters.barns) #define ax (_comp->_parameters.ax) #define ay (_comp->_parameters.ay) #define az (_comp->_parameters.az) #define bx (_comp->_parameters.bx) #define by (_comp->_parameters.by) #define bz (_comp->_parameters.bz) #define cx (_comp->_parameters.cx) #define cy (_comp->_parameters.cy) #define cz (_comp->_parameters.cz) #define aa (_comp->_parameters.aa) #define bb (_comp->_parameters.bb) #define cc (_comp->_parameters.cc) #define order (_comp->_parameters.order) #define RX (_comp->_parameters.RX) #define RY (_comp->_parameters.RY) #define RZ (_comp->_parameters.RZ) #define powder (_comp->_parameters.powder) #define PG (_comp->_parameters.PG) #define interact_fraction (_comp->_parameters.interact_fraction) #define packing_factor (_comp->_parameters.packing_factor) #define init (_comp->_parameters.init) #define Single_crystal_storage (_comp->_parameters.Single_crystal_storage) #define hkl_info_union (_comp->_parameters.hkl_info_union) #define global_process_element (_comp->_parameters.global_process_element) #define This_process (_comp->_parameters.This_process) SIG_MESSAGE("[_YBaCuO_single_crystal_init] component YBaCuO_single_crystal=Single_crystal_process() INITIALISE [Single_crystal_process:0]"); // Single crystal initialize double as, bs, cs; int i = 0; /* transfer input parameters */ hkl_info_union.m_delta_d_d = delta_d_d; hkl_info_union.m_a = 0; hkl_info_union.m_b = 0; hkl_info_union.m_c = 0; hkl_info_union.m_aa = aa; hkl_info_union.m_bb = bb; hkl_info_union.m_cc = cc; hkl_info_union.m_ax = ax; hkl_info_union.m_ay = ay; hkl_info_union.m_az = az; hkl_info_union.m_bx = bx; hkl_info_union.m_by = by; hkl_info_union.m_bz = bz; hkl_info_union.m_cx = cx; hkl_info_union.m_cy = cy; hkl_info_union.m_cz = cz; // hkl_info_union.sigma_a = sigma_abs; // hkl_info_union.sigma_i = sigma_inc; hkl_info_union.recip = recip_cell; /* default format h,k,l,F,F2 */ hkl_info_union.column_order[0] = 1; hkl_info_union.column_order[1] = 2; hkl_info_union.column_order[2] = 3; hkl_info_union.column_order[3] = 0; hkl_info_union.column_order[4] = 7; hkl_info_union.kix = hkl_info_union.kiy = hkl_info_union.kiz = 0; hkl_info_union.nb_reuses = hkl_info_union.nb_refl = hkl_info_union.nb_refl_count = 0; hkl_info_union.tau_count = 0; /* ought to be cleaned up as mosaic_AB now is a proper vector/array and not a define */ double* mosaic_ABin = mosaic_AB; /* Read in structure factors, and do some pre-calculations. */ if (!read_hkl_data_union (reflections, &hkl_info_union, mosaic, mosaic_a, mosaic_b, mosaic_c, mosaic_ABin)) { printf ("Single_crystal_process: %s: Error: Aborting.\n", NAME_CURRENT_COMP); exit (0); } if (hkl_info_union.sigma_a < 0) hkl_info_union.sigma_a = 0; if (hkl_info_union.sigma_i < 0) hkl_info_union.sigma_i = 0; if (hkl_info_union.count) printf ("Single_crystal_process: %s: Read %d reflections from file '%s'\n", NAME_CURRENT_COMP, hkl_info_union.count, reflections); else printf ("Single_crystal_process: %s: Using incoherent elastic scattering only sigma=%g.\n", NAME_CURRENT_COMP, hkl_info_union.sigma_i); /* hkl_info.shape=-1; // -1:no shape, 0:cyl, 1:box, 2:sphere, 3:any-shape if (geometry && strlen(geometry) && strcmp(geometry, "NULL") && strcmp(geometry, "0")) { if (off_init(geometry, xwidth, yheight, zdepth, 0, &offdata)) { hkl_info.shape=3; } } else if (xwidth && yheight && zdepth) hkl_info.shape=1; // box else if (radius > 0 && yheight) hkl_info.shape=0; // cylinder else if (radius > 0 && !yheight) hkl_info.shape=2; // sphere if (hkl_info.shape < 0) exit(fprintf(stderr,"Single_crystal: %s: sample has invalid dimensions.\n" "ERROR Please check parameter values (xwidth, yheight, zdepth, radius).\n", NAME_CURRENT_COMP)); */ printf ("Single_crystal: %s: Vc=%g [Angs] sigma_abs=%g [barn] sigma_inc=%g [barn] reflections=%s\n", NAME_CURRENT_COMP, hkl_info_union.V0, hkl_info_union.sigma_a, hkl_info_union.sigma_i, reflections&& strlen (reflections) ? reflections : "NULL"); if (powder && PG) exit (fprintf (stderr, "Single_crystal_process: %s: powder and PG modes can not be used together!\n" "ERROR Please use EITHER powder or PG mode.\n", NAME_CURRENT_COMP)); if (powder && !(order == 1)) { fprintf (stderr, "Single_crystal_process: %s: powder mode means implicit choice of no multiple scattering!\n" "WARNING setting order=1\n", NAME_CURRENT_COMP); order = 1; } if (PG && !(order == 1)) { fprintf (stderr, "Single_crystal_process: %s: PG mode means implicit choice of no multiple scattering!\n" "WARNING setting order=1\n", NAME_CURRENT_COMP); order = 1; } // Temporary errors untill these features are either added or removed from input if (powder) exit (fprintf (stderr, "Single_crystal_process: %s: powder mode not supported yet!\n" "ERROR Please disable powder mode.\n", NAME_CURRENT_COMP)); if (PG) exit (fprintf (stderr, "Single_crystal_process: %s: PG mode not supported yet!\n" "ERROR Please disable PG mode.\n", NAME_CURRENT_COMP)); if (order) exit (fprintf (stderr, "Single_crystal_process: %s: Order control not supported yet!\n" "ERROR Please set order to zero.\n", NAME_CURRENT_COMP)); // Initialize done in the component // Added for single crystal Single_crystal_storage.PG_setting = PG; Single_crystal_storage.powder_setting = powder; Single_crystal_storage.barns_setting = barns; Single_crystal_storage.pack = packing_factor; Single_crystal_storage.hkl_info_storage = &hkl_info_union; // First initialise This_process with default values: scattering_process_struct_init (&This_process); // Need to specify if this process is isotropic // This_process.non_isotropic_rot_index = -1; // Yes (powder) This_process.non_isotropic_rot_index = 1; // No (single crystal) // Need to specify if this process need to use focusing in calculation of inverse penetration depth (physics_my) // This_process.needs_cross_section_focus = 1; // Yes This_process.needs_cross_section_focus = -1; // No // The type of the process must be saved in the global enum process This_process.eProcess = Single_crystal; // Packing the data into a structure that is transported to the main component This_process.data_transfer.pointer_to_a_Single_crystal_physics_storage_struct = &Single_crystal_storage; This_process.probability_for_scattering_function = &Single_crystal_physics_my; This_process.scattering_function = &Single_crystal_physics_scattering; // This will be the same for all process's, and can thus be moved to an include. This_process.process_p_interact = interact_fraction; sprintf (This_process.name, "%s", NAME_CURRENT_COMP); rot_copy (This_process.rotation_matrix, ROT_A_CURRENT_COMP); sprintf (global_process_element.name, "%s", NAME_CURRENT_COMP); global_process_element.component_index = INDEX_CURRENT_COMP; global_process_element.p_scattering_process = &This_process; if (_getcomp_index (init) < 0) { fprintf (stderr, "Single_crystal_process:%s: Error identifying Union_init component, %s is not a known component name.\n", NAME_CURRENT_COMP, init); exit (-1); } struct pointer_to_global_process_list* global_process_list = COMP_GETPAR3 (Union_init, init, global_process_list); add_element_to_process_list (global_process_list, global_process_element); #undef reflections #undef delta_d_d #undef mosaic #undef mosaic_a #undef mosaic_b #undef mosaic_c #undef mosaic_AB #undef recip_cell #undef barns #undef ax #undef ay #undef az #undef bx #undef by #undef bz #undef cx #undef cy #undef cz #undef aa #undef bb #undef cc #undef order #undef RX #undef RY #undef RZ #undef powder #undef PG #undef interact_fraction #undef packing_factor #undef init #undef Single_crystal_storage #undef hkl_info_union #undef global_process_element #undef This_process return(_comp); } /* class_Single_crystal_process_init */ _class_Union_make_material *class_Union_make_material_init(_class_Union_make_material *_comp ) { #define process_string (_comp->_parameters.process_string) #define my_absorption (_comp->_parameters.my_absorption) #define absorber (_comp->_parameters.absorber) #define refraction_density (_comp->_parameters.refraction_density) #define refraction_sigma_coh (_comp->_parameters.refraction_sigma_coh) #define refraction_weight (_comp->_parameters.refraction_weight) #define refraction_SLD (_comp->_parameters.refraction_SLD) #define init (_comp->_parameters.init) #define global_material_element (_comp->_parameters.global_material_element) #define this_material (_comp->_parameters.this_material) #define loop_index (_comp->_parameters.loop_index) #define found_process (_comp->_parameters.found_process) #define specified_processes (_comp->_parameters.specified_processes) #define local_string (_comp->_parameters.local_string) #define accepted_processes (_comp->_parameters.accepted_processes) SIG_MESSAGE("[_YBaCuO_init] component YBaCuO=Union_make_material() INITIALISE [Union_make_material:0]"); accepted_processes.num_elements = 0; accepted_processes.elements = NULL; if (0 == strcmp (NAME_CURRENT_COMP, "vacuum") || 0 == strcmp (NAME_CURRENT_COMP, "Vacuum")) { printf ("ERROR, a Union material may not be called Vacuum. A vacuum volume may be created by material=\"Vacuum\" in a geometry component.\n"); exit (1); } if (0 == strcmp (NAME_CURRENT_COMP, "exit") || 0 == strcmp (NAME_CURRENT_COMP, "Exit")) { printf ("ERROR, a Union material may not be called Exit. A exit volume may be created by material=\"Exit\" in a geometry component.\n"); exit (1); } if (my_absorption < 0) { printf ("ERROR, Union make material named %s have a negative absorption cross section!.\n", NAME_CURRENT_COMP); exit (1); } if (_getcomp_index (init) < 0) { fprintf (stderr, "Union_make_material:%s: Error identifying Union_init component, %s is not a known component name.\n", NAME_CURRENT_COMP, init); exit (-1); } struct pointer_to_global_process_list* global_process_list = COMP_GETPAR3 (Union_init, init, global_process_list); struct pointer_to_global_material_list* global_material_list = COMP_GETPAR3 (Union_init, init, global_material_list); if (absorber == 0) { if (process_string && strlen (process_string) && strcmp (process_string, "NULL") && strcmp (process_string, "0")) { manual_linking_function_material (process_string, global_process_list, &accepted_processes, NAME_CURRENT_COMP); } else { for (loop_index = 0; loop_index < global_process_list->num_elements; loop_index++) { // printf("Automatic linking chosen [loop index = %d] with process_string = %s \n",loop_index,process_string); // automatic linking // accept a process if index is between current and former index of make_material components if (1 == automatic_linking_materials_function (global_process_list->elements[loop_index], *global_material_list, INDEX_CURRENT_COMP)) add_element_to_int_list (&accepted_processes, loop_index); } } } this_material.number_of_processes = accepted_processes.num_elements; // Add number of processes this_material.is_vacuum = 0; // This material is not vacuum if (this_material.number_of_processes == 0 && my_absorption == 0) { printf ("ERROR, the material named %s has no processes assigned and no absorption cross section, making it eqvialent to vacuum. Vacuums are assigned by " "setting material=\"Vacuum\" in a geometry component.\n", NAME_CURRENT_COMP); exit (1); } this_material.any_process_needs_cross_section_focus = -1; // Assume no process need focusing in cross section calculation // add process element to this_material, building an array of processes called p_scattering_array if (this_material.number_of_processes > 0) this_material.p_scattering_array = malloc (this_material.number_of_processes * sizeof (struct scattering_process_struct)); for (loop_index = 0; loop_index < accepted_processes.num_elements; loop_index++) { this_material.p_scattering_array[loop_index] = *global_process_list->elements[accepted_processes.elements[loop_index]].p_scattering_process; // Check if each process needs focusing capability in the calculation of cross section / inverse penetration depth if (this_material.p_scattering_array[loop_index].needs_cross_section_focus == 1) { this_material.any_process_needs_cross_section_focus = 1; } } this_material.my_a = my_absorption; // add the absorption to this material sprintf (this_material.name, "%s", NAME_CURRENT_COMP); // Section on refracation information this_material.has_refraction_info = 0; if (refraction_density != 0 || refraction_weight != 0 || refraction_sigma_coh != 0) { double refraction_rho, refraction_bc; if (refraction_density == 0 || refraction_weight <= 0) exit (printf ("Union_make_material: %s: FATAL: invalid material density or molar weight: density=%g weight=%g\n", NAME_CURRENT_COMP, refraction_density, refraction_weight)); refraction_rho = fabs (refraction_density) * 6.02214179 * 1e23 * 1e-24 / refraction_weight; // per at/Angs^3 if (refraction_sigma_coh == 0) exit (printf ("Refractor: %s: FATAL: invalid material coherent cross section: sigma_coh=%g\n", NAME_CURRENT_COMP, refraction_sigma_coh)); refraction_bc = sqrt (fabs (refraction_sigma_coh) * 100 / 4 / PI) * 1e-5; // bound coherent scattering length if (refraction_sigma_coh < 0) refraction_bc *= -1.0; this_material.refraction_scattering_length_density = refraction_rho * refraction_bc; this_material.refraction_Qc = 4 * sqrt (PI * refraction_rho * fabs (refraction_bc)); this_material.has_refraction_info = 1; } if (refraction_SLD > -1499.0) { // refraction_SLD can be negative, zero or positive, it can however not be this negative, so this is used as input check this_material.refraction_scattering_length_density = refraction_SLD; this_material.refraction_Qc = 4.0 * sqrt (PI * fabs (refraction_SLD)); this_material.has_refraction_info = 1; } // packing the information into the global_material_element, which is then included in the global_material_list. sprintf (global_material_element.name, "%s", NAME_CURRENT_COMP); global_material_element.component_index = INDEX_CURRENT_COMP; global_material_element.physics = &this_material; add_element_to_material_list (global_material_list, global_material_element); #undef process_string #undef my_absorption #undef absorber #undef refraction_density #undef refraction_sigma_coh #undef refraction_weight #undef refraction_SLD #undef init #undef global_material_element #undef this_material #undef loop_index #undef found_process #undef specified_processes #undef local_string #undef accepted_processes return(_comp); } /* class_Union_make_material_init */ _class_Progress_bar *class_Progress_bar_init(_class_Progress_bar *_comp ) { #define profile (_comp->_parameters.profile) #define percent (_comp->_parameters.percent) #define flag_save (_comp->_parameters.flag_save) #define minutes (_comp->_parameters.minutes) #define IntermediateCnts (_comp->_parameters.IntermediateCnts) #define StartTime (_comp->_parameters.StartTime) #define EndTime (_comp->_parameters.EndTime) #define CurrentTime (_comp->_parameters.CurrentTime) #define infostring (_comp->_parameters.infostring) SIG_MESSAGE("[_Origin_init] component Origin=Progress_bar() INITIALISE [Progress_bar:0]"); IntermediateCnts = 0; StartTime = 0; EndTime = 0; CurrentTime = 0; fprintf (stdout, "[%s] Initialize\n", instrument_name); if (percent * mcget_ncount () / 100 < 1e5) { percent = 1e5 * 100.0 / mcget_ncount (); } #ifdef OPENACC time (&StartTime); #endif #ifdef USE_MPI sprintf (infostring, "(%i MPI processes) ", mpi_node_count); #else sprintf (infostring, "(single process) "); #endif #undef profile #undef percent #undef flag_save #undef minutes #undef IntermediateCnts #undef StartTime #undef EndTime #undef CurrentTime #undef infostring return(_comp); } /* class_Progress_bar_init */ _class_Source_simple *class_Source_simple_init(_class_Source_simple *_comp ) { #define radius (_comp->_parameters.radius) #define yheight (_comp->_parameters.yheight) #define xwidth (_comp->_parameters.xwidth) #define dist (_comp->_parameters.dist) #define focus_xw (_comp->_parameters.focus_xw) #define focus_yh (_comp->_parameters.focus_yh) #define E0 (_comp->_parameters.E0) #define dE (_comp->_parameters.dE) #define lambda0 (_comp->_parameters.lambda0) #define dlambda (_comp->_parameters.dlambda) #define flux (_comp->_parameters.flux) #define gauss (_comp->_parameters.gauss) #define target_index (_comp->_parameters.target_index) #define pmul (_comp->_parameters.pmul) #define srcArea (_comp->_parameters.srcArea) #define square (_comp->_parameters.square) #define tx (_comp->_parameters.tx) #define ty (_comp->_parameters.ty) #define tz (_comp->_parameters.tz) SIG_MESSAGE("[_source_init] component source=Source_simple() INITIALISE [Source_simple:0]"); square = 0; /* Determine source area */ if (radius && !yheight && !xwidth ) { square = 0; srcArea = PI*radius*radius; } else if(yheight && xwidth) { square = 1; srcArea = xwidth * yheight; } if (flux) { pmul=flux*1e4*srcArea/mcget_ncount(); if (dlambda) pmul *= 2*dlambda; else if (dE) pmul *= 2*dE; } else { gauss = 0; pmul=1.0/(mcget_ncount()*4*PI); } if (target_index && !dist) { Coords ToTarget; ToTarget = coords_sub(POS_A_COMP_INDEX(INDEX_CURRENT_COMP+target_index),POS_A_CURRENT_COMP); ToTarget = rot_apply(ROT_A_CURRENT_COMP, ToTarget); coords_get(ToTarget, &tx, &ty, &tz); dist=sqrt(tx*tx+ty*ty+tz*tz); } else if (dist) { tx = 0; ty = 0; tz = dist; } if (srcArea <= 0) { printf("Source_simple: %s: Source area is <= 0 !\n ERROR - Exiting\n", NAME_CURRENT_COMP); exit(0); } if (dist <= 0 || focus_xw <= 0 || focus_yh <= 0) { printf("Source_simple: %s: Target area unmeaningful! (negative dist / focus_xw / focus_yh)\n ERROR - Exiting\n", NAME_CURRENT_COMP); exit(0); } if ((!lambda0 && !E0 && !dE && !dlambda)) { printf("Source_simple: %s: You must specify either a wavelength or energy range!\n ERROR - Exiting\n", NAME_CURRENT_COMP); exit(0); } if ((!lambda0 && !dlambda && (E0 <= 0 || dE < 0 || E0-dE <= 0)) || (!E0 && !dE && (lambda0 <= 0 || dlambda < 0 || lambda0-dlambda <= 0))) { printf("Source_simple: %s: Unmeaningful definition of wavelength or energy range!\n ERROR - Exiting\n", NAME_CURRENT_COMP); exit(0); } #undef radius #undef yheight #undef xwidth #undef dist #undef focus_xw #undef focus_yh #undef E0 #undef dE #undef lambda0 #undef dlambda #undef flux #undef gauss #undef target_index #undef pmul #undef srcArea #undef square #undef tx #undef ty #undef tz return(_comp); } /* class_Source_simple_init */ _class_Slit *class_Slit_init(_class_Slit *_comp ) { #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) #define radius (_comp->_parameters.radius) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define isradial (_comp->_parameters.isradial) SIG_MESSAGE("[_slit_init] component slit=Slit() INITIALISE [Slit:0]"); if (is_unset (radius)) { isradial = 0; if (all_set (3, xwidth, xmin, xmax)) { slit_error_if (xwidth != xmax - xmin, "specifying xwidth, xmin and xmax requires consistent parameters", NAME_CURRENT_COMP); } else { slit_error_if (is_unset (xwidth) && any_unset (2, xmin, xmax), "specify either xwidth or xmin & xmax", NAME_CURRENT_COMP); } if (all_set (3, yheight, ymin, ymax)) { slit_error_if (yheight != ymax - ymin, "specifying yheight, ymin and ymax requires consistent parameters", NAME_CURRENT_COMP); } else { slit_error_if (is_unset (yheight) && any_unset (2, ymin, ymax), "specify either yheight or ymin & ymax", NAME_CURRENT_COMP); } if (is_unset (xmin)) { // xmax also unset but xwidth *is* set xmax = xwidth / 2; xmin = -xmax; } if (is_unset (ymin)) { // ymax also unset but yheight *is* set ymax = yheight / 2; ymin = -ymax; } slit_warning_if (xmin == xmax || ymin == ymax, "Running with CLOSED rectangular slit - is this intentional?", NAME_CURRENT_COMP); } else { isradial = 1; slit_error_if (any_set (6, xwidth, xmin, xmax, yheight, ymin, ymax), "specify radius OR width and height parameters", NAME_CURRENT_COMP); slit_warning_if (radius == 0., "Running with CLOSED radial slit - is this intentional?", NAME_CURRENT_COMP); } #undef xmin #undef xmax #undef ymin #undef ymax #undef radius #undef xwidth #undef yheight #undef isradial return(_comp); } /* class_Slit_init */ _class_Union_cylinder *class_Union_cylinder_init(_class_Union_cylinder *_comp ) { #define material_string (_comp->_parameters.material_string) #define priority (_comp->_parameters.priority) #define radius (_comp->_parameters.radius) #define yheight (_comp->_parameters.yheight) #define visualize (_comp->_parameters.visualize) #define target_index (_comp->_parameters.target_index) #define target_x (_comp->_parameters.target_x) #define target_y (_comp->_parameters.target_y) #define target_z (_comp->_parameters.target_z) #define focus_aw (_comp->_parameters.focus_aw) #define focus_ah (_comp->_parameters.focus_ah) #define focus_xw (_comp->_parameters.focus_xw) #define focus_xh (_comp->_parameters.focus_xh) #define focus_r (_comp->_parameters.focus_r) #define p_interact (_comp->_parameters.p_interact) #define mask_string (_comp->_parameters.mask_string) #define mask_setting (_comp->_parameters.mask_setting) #define number_of_activations (_comp->_parameters.number_of_activations) #define curved_surface (_comp->_parameters.curved_surface) #define top_surface (_comp->_parameters.top_surface) #define bottom_surface (_comp->_parameters.bottom_surface) #define all_face_surface (_comp->_parameters.all_face_surface) #define cut_surface (_comp->_parameters.cut_surface) #define init (_comp->_parameters.init) #define global_geometry_element (_comp->_parameters.global_geometry_element) #define loop_index (_comp->_parameters.loop_index) #define loop_2_index (_comp->_parameters.loop_2_index) #define material_index (_comp->_parameters.material_index) #define this_cylinder_volume (_comp->_parameters.this_cylinder_volume) #define this_cylinder_storage (_comp->_parameters.this_cylinder_storage) #define curved_surface_stack (_comp->_parameters.curved_surface_stack) #define top_surface_stack (_comp->_parameters.top_surface_stack) #define bottom_surface_stack (_comp->_parameters.bottom_surface_stack) #define cut_surface_stack (_comp->_parameters.cut_surface_stack) SIG_MESSAGE("[_cylinder_sample_union_init] component cylinder_sample_union=Union_cylinder() INITIALISE [Union_cylinder:0]"); geometry_struct_init (&(this_cylinder_volume.geometry)); // Initializes the focusing system for this volume including input sanitation. focus_initialize (&this_cylinder_volume.geometry, POS_A_COMP_INDEX (INDEX_CURRENT_COMP + target_index), POS_A_CURRENT_COMP, ROT_A_CURRENT_COMP, target_index, target_x, target_y, target_z, focus_aw, focus_ah, focus_xw, focus_xh, focus_r, NAME_CURRENT_COMP); // Input sanitation for this geometry if (radius <= 0) { printf ("\nERROR in Union_cylinder named %s, the radius is <= 0. \n", NAME_CURRENT_COMP); exit (1); } if (yheight <= 0) { printf ("\nERROR in Union_cylinder named %s, yheight is <= 0. \n", NAME_CURRENT_COMP); exit (1); } if (_getcomp_index (init) < 0) { fprintf (stderr, "Union_cylinder:%s: Error identifying Union_init component, %s is not a known component name.\n", NAME_CURRENT_COMP, init); exit (-1); } struct pointer_to_global_material_list* global_material_list = COMP_GETPAR3 (Union_init, init, global_material_list); // Use sanitation #ifdef MATERIAL_DETECTOR if (global_material_list->num_elements == 0) { // Here if the user have defined a material, but only after this material printf ("\nERROR: Need to define a material using Union_make_material before using a Union geometry component. \n"); printf (" %s was defined before first use of Union_make_material.\n", NAME_CURRENT_COMP); exit (1); } #endif #ifndef MATERIAL_DETECTOR printf ("\nERROR: Need to define a material using Union_make_material before using a Union geometry component. \n"); exit (1); #endif this_cylinder_volume.geometry.is_masked_volume = 0; this_cylinder_volume.geometry.is_exit_volume = 0; this_cylinder_volume.geometry.is_mask_volume = 0; struct pointer_to_global_geometry_list* global_geometry_list = COMP_GETPAR3 (Union_init, init, global_geometry_list); // Read the material input, or if it lacks, use automatic linking. if (mask_string && strlen (mask_string) && strcmp (mask_string, "NULL") && strcmp (mask_string, "0")) { // A mask volume is used to limit the extend of other volumes, called the masked volumes. These are specified in the mask_string. // In order for a ray to enter a masked volume, it needs to be both in the region covered by that volume AND the mask volume. // When more than this_cylinder_volume.geometry.mask_mode = 1; // Default is mask mode is ALL if (mask_setting && strlen (mask_setting) && strcmp (mask_setting, "NULL") && strcmp (mask_setting, "0")) { if (strcmp (mask_setting, "ALL") == 0 || strcmp (mask_setting, "All") == 0) this_cylinder_volume.geometry.mask_mode = 1; else if (strcmp (mask_setting, "ANY") == 0 || strcmp (mask_setting, "Any") == 0) this_cylinder_volume.geometry.mask_mode = 2; else { printf ("The mask_mode of component %s is set to %s, but must be either ALL or ANY.\n", NAME_CURRENT_COMP, mask_setting); exit (1); } } int found_geometries = 0; for (loop_index = 0; loop_index < global_geometry_list->num_elements; loop_index++) { // Add mask list if (1 == manual_linking_function (global_geometry_list->elements[loop_index].name, mask_string)) { add_element_to_int_list (&this_cylinder_volume.geometry.mask_list, global_geometry_list->elements[loop_index].component_index); add_element_to_int_list (&global_geometry_list->elements[loop_index].Volume->geometry.masked_by_list, INDEX_CURRENT_COMP); global_geometry_list->elements[loop_index].Volume->geometry.is_masked_volume = 1; if (this_cylinder_volume.geometry.mask_mode == 2) global_geometry_list->elements[loop_index].Volume->geometry.mask_mode = 2; if (this_cylinder_volume.geometry.mask_mode == 1) { if (global_geometry_list->elements[loop_index].Volume->geometry.is_masked_volume == 1 && global_geometry_list->elements[loop_index].Volume->geometry.mask_mode != 2) // If more than one mask is added to one volume, the ANY mode overwrites the (default) ALL mode. global_geometry_list->elements[loop_index].Volume->geometry.mask_mode = 1; } found_geometries = 1; } } if (found_geometries == 0) { printf ("The mask_string in geometry: %s did not find any of the specified volumes in the mask_string %s \n", NAME_CURRENT_COMP, mask_string); exit (1); } this_cylinder_volume.p_physics = malloc (sizeof (struct physics_struct)); this_cylinder_volume.p_physics->is_vacuum = 0; // Makes this volume a vacuum this_cylinder_volume.p_physics->number_of_processes = (int)0; // Should not be used. this_cylinder_volume.p_physics->my_a = 0; // Should not be used. sprintf (this_cylinder_volume.p_physics->name, "Mask"); this_cylinder_volume.geometry.is_mask_volume = 1; // Read the material input, or if it lacks, use automatic linking. } else if (material_string && strlen (material_string) && strcmp (material_string, "NULL") && strcmp (material_string, "0")) { // A geometry string was given, use it to determine which material if (0 == strcmp (material_string, "vacuum") || 0 == strcmp (material_string, "Vacuum")) { // One could have a global physics struct for vacuum instead of creating one for each this_cylinder_volume.p_physics = malloc (sizeof (struct physics_struct)); this_cylinder_volume.p_physics->is_vacuum = 1; // Makes this volume a vacuum this_cylinder_volume.p_physics->number_of_processes = (int)0; this_cylinder_volume.p_physics->my_a = 0; // Should not be used. sprintf (this_cylinder_volume.p_physics->name, "Vacuum"); } else if (0 == strcmp (material_string, "exit") || 0 == strcmp (material_string, "Exit")) { // One could have a global physics struct for exit instead of creating one for each this_cylinder_volume.p_physics = malloc (sizeof (struct physics_struct)); this_cylinder_volume.p_physics->is_vacuum = 1; // Makes this volume a vacuum this_cylinder_volume.p_physics->number_of_processes = (int)0; this_cylinder_volume.p_physics->my_a = 0; // Should not be used. this_cylinder_volume.geometry.is_exit_volume = 1; sprintf (this_cylinder_volume.p_physics->name, "Exit"); } else { for (loop_index = 0; loop_index < global_material_list->num_elements; loop_index++) { if (0 == strcmp (material_string, global_material_list->elements[loop_index].name)) { this_cylinder_volume.p_physics = global_material_list->elements[loop_index].physics; break; } if (loop_index == global_material_list->num_elements - 1) { printf ("\n"); printf ("ERROR: The material string \"%s\" in Union geometry \"%s\" did not match a specified material. \n", material_string, NAME_CURRENT_COMP); printf (" The materials available at this point (need to be defined before the geometry): \n"); for (loop_index = 0; loop_index < global_material_list->num_elements; loop_index++) printf (" %s\n", global_material_list->elements[loop_index].name); printf ("\n"); printf (" It is also possible to use one of the defualt materials avaiable: \n"); printf (" Vacuum (for a Volume without scattering or absorption)\n"); printf (" Exit (for a Volume where the ray exits the component if it enters)\n"); printf (" Mask (for a Volume that masks existing volumes specified in the mask_string\n"); exit (1); } } } } else { // Automatic linking, simply using the last defined material. #ifndef MATERIAL_DETECTOR printf ("Need to define a material before the geometry to use automatic linking %s.\n", NAME_CURRENT_COMP); exit (1); #endif this_cylinder_volume.p_physics = global_material_list->elements[global_material_list->num_elements - 1].physics; } // Handle surface input if (all_face_surface && strlen (all_face_surface) && strcmp (all_face_surface, "NULL") && strcmp (all_face_surface, "0")) { // Overwrite all other surfaces that have no input (if one wants a surface left without anything, None can be used) overwrite_if_empty (curved_surface, all_face_surface); overwrite_if_empty (top_surface, all_face_surface); overwrite_if_empty (bottom_surface, all_face_surface); } this_cylinder_volume.geometry.number_of_faces = 3; this_cylinder_volume.geometry.surface_stack_for_each_face = malloc (this_cylinder_volume.geometry.number_of_faces * sizeof (struct surface_stack_struct*)); // This could be inserted into the fill_surface_stack function this_cylinder_volume.geometry.surface_stack_for_each_face[0] = &curved_surface_stack; this_cylinder_volume.geometry.surface_stack_for_each_face[1] = &top_surface_stack; this_cylinder_volume.geometry.surface_stack_for_each_face[2] = &bottom_surface_stack; this_cylinder_volume.geometry.internal_cut_surface_stack = &cut_surface_stack; // This surface is used if the volume is cut by overlapping of higher priority volume struct pointer_to_global_surface_list* global_surface_list = COMP_GETPAR3 (Union_init, init, global_surface_list); fill_surface_stack (curved_surface, global_surface_list, NAME_CURRENT_COMP, &curved_surface_stack); fill_surface_stack (top_surface, global_surface_list, NAME_CURRENT_COMP, &top_surface_stack); fill_surface_stack (bottom_surface, global_surface_list, NAME_CURRENT_COMP, &bottom_surface_stack); fill_surface_stack (cut_surface, global_surface_list, NAME_CURRENT_COMP, &cut_surface_stack); sprintf (this_cylinder_volume.name, "%s", NAME_CURRENT_COMP); sprintf (this_cylinder_volume.geometry.shape, "cylinder"); this_cylinder_volume.geometry.eShape = cylinder; this_cylinder_volume.geometry.priority_value = priority; // Currently the coordinates will be in absolute space. this_cylinder_volume.geometry.center = POS_A_CURRENT_COMP; this_cylinder_volume.geometry.geometry_p_interact = p_interact; this_cylinder_storage.cyl_radius = radius; this_cylinder_storage.height = yheight; this_cylinder_volume.geometry.visualization_on = visualize; this_cylinder_volume.geometry.geometry_parameters.p_cylinder_storage = &this_cylinder_storage; this_cylinder_volume.geometry.within_function = &r_within_cylinder; this_cylinder_volume.geometry.intersect_function = &sample_cylinder_intersect; this_cylinder_volume.geometry.mcdisplay_function = &mcdisplay_cylinder_function; this_cylinder_volume.geometry.shell_points = &cylinder_shell_points; this_cylinder_volume.geometry.initialize_from_main_function = &initialize_cylinder_geometry_from_main_component; this_cylinder_volume.geometry.process_rot_allocated = 0; this_cylinder_volume.geometry.copy_geometry_parameters = &allocate_cylinder_storage_copy; rot_copy (this_cylinder_volume.geometry.rotation_matrix, ROT_A_CURRENT_COMP); rot_transpose (ROT_A_CURRENT_COMP, this_cylinder_volume.geometry.transpose_rotation_matrix); // Initialize loggers this_cylinder_volume.loggers.num_elements = 0; this_cylinder_volume.abs_loggers.num_elements = 0; // packing the information into the global_geometry_element, which is then included in the global_geometry_list. sprintf (global_geometry_element.name, "%s", NAME_CURRENT_COMP); global_geometry_element.activation_counter = number_of_activations; global_geometry_element.component_index = INDEX_CURRENT_COMP; global_geometry_element.Volume = &this_cylinder_volume; // Would be nicer if this m was a pointer, now we have the (small) data two places add_element_to_geometry_list (global_geometry_list, global_geometry_element); #undef material_string #undef priority #undef radius #undef yheight #undef visualize #undef target_index #undef target_x #undef target_y #undef target_z #undef focus_aw #undef focus_ah #undef focus_xw #undef focus_xh #undef focus_r #undef p_interact #undef mask_string #undef mask_setting #undef number_of_activations #undef curved_surface #undef top_surface #undef bottom_surface #undef all_face_surface #undef cut_surface #undef init #undef global_geometry_element #undef loop_index #undef loop_2_index #undef material_index #undef this_cylinder_volume #undef this_cylinder_storage #undef curved_surface_stack #undef top_surface_stack #undef bottom_surface_stack #undef cut_surface_stack return(_comp); } /* class_Union_cylinder_init */ _class_Union_master *class_Union_master_init(_class_Union_master *_comp ) { #define enable_refraction (_comp->_parameters.enable_refraction) #define enable_reflection (_comp->_parameters.enable_reflection) #define verbal (_comp->_parameters.verbal) #define list_verbal (_comp->_parameters.list_verbal) #define finally_verbal (_comp->_parameters.finally_verbal) #define allow_inside_start (_comp->_parameters.allow_inside_start) #define enable_tagging (_comp->_parameters.enable_tagging) #define history_limit (_comp->_parameters.history_limit) #define enable_conditionals (_comp->_parameters.enable_conditionals) #define inherit_number_of_scattering_events (_comp->_parameters.inherit_number_of_scattering_events) #define weight_ratio_limit (_comp->_parameters.weight_ratio_limit) #define init (_comp->_parameters.init) #define global_positions_to_transform_list_master (_comp->_parameters.global_positions_to_transform_list_master) #define global_rotations_to_transform_list_master (_comp->_parameters.global_rotations_to_transform_list_master) #define global_process_list_master (_comp->_parameters.global_process_list_master) #define global_material_list_master (_comp->_parameters.global_material_list_master) #define global_surface_list_master (_comp->_parameters.global_surface_list_master) #define global_geometry_list_master (_comp->_parameters.global_geometry_list_master) #define global_all_volume_logger_list_master (_comp->_parameters.global_all_volume_logger_list_master) #define global_specific_volumes_logger_list_master (_comp->_parameters.global_specific_volumes_logger_list_master) #define global_all_volume_abs_logger_list_master (_comp->_parameters.global_all_volume_abs_logger_list_master) #define global_specific_volumes_abs_logger_list_master (_comp->_parameters.global_specific_volumes_abs_logger_list_master) #define global_tagging_conditional_list_master (_comp->_parameters.global_tagging_conditional_list_master) #define global_master_list_master (_comp->_parameters.global_master_list_master) #define starting_volume_warning (_comp->_parameters.starting_volume_warning) #define global_master_element (_comp->_parameters.global_master_element) #define this_global_master_index (_comp->_parameters.this_global_master_index) #define previous_master_index (_comp->_parameters.previous_master_index) #define geometry_list_index (_comp->_parameters.geometry_list_index) #define intersection_time_table (_comp->_parameters.intersection_time_table) #define Volumes (_comp->_parameters.Volumes) #define Geometries (_comp->_parameters.Geometries) #define Volume_copies (_comp->_parameters.Volume_copies) #define starting_lists (_comp->_parameters.starting_lists) #define Volume_copies_allocated (_comp->_parameters.Volume_copies_allocated) #define r (_comp->_parameters.r) #define r_start (_comp->_parameters.r_start) #define v (_comp->_parameters.v) #define error_msg (_comp->_parameters.error_msg) #define component_error_msg (_comp->_parameters.component_error_msg) #define string_output (_comp->_parameters.string_output) #define number_of_volumes (_comp->_parameters.number_of_volumes) #define volume_index (_comp->_parameters.volume_index) #define process_index (_comp->_parameters.process_index) #define iterator (_comp->_parameters.iterator) #define solutions (_comp->_parameters.solutions) #define max_number_of_processes (_comp->_parameters.max_number_of_processes) #define limit (_comp->_parameters.limit) #define solution (_comp->_parameters.solution) #define min_solution (_comp->_parameters.min_solution) #define ignore_closest (_comp->_parameters.ignore_closest) #define ignore_surface_index (_comp->_parameters.ignore_surface_index) #define min_volume (_comp->_parameters.min_volume) #define time_found (_comp->_parameters.time_found) #define intersection_time (_comp->_parameters.intersection_time) #define min_intersection_time (_comp->_parameters.min_intersection_time) #define process (_comp->_parameters.process) #define process_start (_comp->_parameters.process_start) #define my_trace (_comp->_parameters.my_trace) #define p_my_trace (_comp->_parameters.p_my_trace) #define my_trace_fraction_control (_comp->_parameters.my_trace_fraction_control) #define k (_comp->_parameters.k) #define k_new (_comp->_parameters.k_new) #define k_old (_comp->_parameters.k_old) #define k_rotated (_comp->_parameters.k_rotated) #define v_length (_comp->_parameters.v_length) #define my_sum (_comp->_parameters.my_sum) #define my_sum_plus_abs (_comp->_parameters.my_sum_plus_abs) #define culmative_probability (_comp->_parameters.culmative_probability) #define mc_prop (_comp->_parameters.mc_prop) #define time_to_scattering (_comp->_parameters.time_to_scattering) #define length_to_scattering (_comp->_parameters.length_to_scattering) #define length_to_boundary (_comp->_parameters.length_to_boundary) #define time_to_boundery (_comp->_parameters.time_to_boundery) #define selected_process (_comp->_parameters.selected_process) #define scattering_event (_comp->_parameters.scattering_event) #define time_propagated_without_scattering (_comp->_parameters.time_propagated_without_scattering) #define a_next_volume_found (_comp->_parameters.a_next_volume_found) #define next_volume (_comp->_parameters.next_volume) #define next_volume_priority (_comp->_parameters.next_volume_priority) #define done (_comp->_parameters.done) #define current_volume (_comp->_parameters.current_volume) #define previous_volume (_comp->_parameters.previous_volume) #define ray_sucseeded (_comp->_parameters.ray_sucseeded) #define number_of_solutions (_comp->_parameters.number_of_solutions) #define number_of_solutions_static (_comp->_parameters.number_of_solutions_static) #define check (_comp->_parameters.check) #define start (_comp->_parameters.start) #define intersection_with_children (_comp->_parameters.intersection_with_children) #define geometry_output (_comp->_parameters.geometry_output) #define tree_next_volume (_comp->_parameters.tree_next_volume) #define pre_allocated1 (_comp->_parameters.pre_allocated1) #define pre_allocated2 (_comp->_parameters.pre_allocated2) #define pre_allocated3 (_comp->_parameters.pre_allocated3) #define ray_position (_comp->_parameters.ray_position) #define ray_velocity (_comp->_parameters.ray_velocity) #define ray_velocity_rotated (_comp->_parameters.ray_velocity_rotated) #define ray_velocity_final (_comp->_parameters.ray_velocity_final) #define wavevector (_comp->_parameters.wavevector) #define wavevector_rotated (_comp->_parameters.wavevector_rotated) #define volume_0_found (_comp->_parameters.volume_0_found) #define scattered_flag (_comp->_parameters.scattered_flag) #define scattered_flag_VP (_comp->_parameters.scattered_flag_VP) #define master_transposed_rotation_matrix (_comp->_parameters.master_transposed_rotation_matrix) #define temp_rotation_matrix (_comp->_parameters.temp_rotation_matrix) #define temp_transpose_rotation_matrix (_comp->_parameters.temp_transpose_rotation_matrix) #define non_rotated_position (_comp->_parameters.non_rotated_position) #define rotated_position (_comp->_parameters.rotated_position) #define non_isotropic_found (_comp->_parameters.non_isotropic_found) #define master_tagging_node_list (_comp->_parameters.master_tagging_node_list) #define current_tagging_node (_comp->_parameters.current_tagging_node) #define tagging_leaf_counter (_comp->_parameters.tagging_leaf_counter) #define stop_tagging_ray (_comp->_parameters.stop_tagging_ray) #define stop_creating_nodes (_comp->_parameters.stop_creating_nodes) #define number_of_scattering_events (_comp->_parameters.number_of_scattering_events) #define real_transmission_probability (_comp->_parameters.real_transmission_probability) #define mc_transmission_probability (_comp->_parameters.mc_transmission_probability) #define number_of_process_interacts_set (_comp->_parameters.number_of_process_interacts_set) #define index_of_lacking_process (_comp->_parameters.index_of_lacking_process) #define total_process_interact (_comp->_parameters.total_process_interact) #define geometry_component_index_list (_comp->_parameters.geometry_component_index_list) #define mask_volume_index_list (_comp->_parameters.mask_volume_index_list) #define number_of_masks (_comp->_parameters.number_of_masks) #define number_of_masked_volumes (_comp->_parameters.number_of_masked_volumes) #define mask_status_list (_comp->_parameters.mask_status_list) #define current_mask_intersect_list_status (_comp->_parameters.current_mask_intersect_list_status) #define mask_index_main (_comp->_parameters.mask_index_main) #define mask_iterator (_comp->_parameters.mask_iterator) #define mask_start (_comp->_parameters.mask_start) #define mask_check (_comp->_parameters.mask_check) #define need_to_run_within_which_volume (_comp->_parameters.need_to_run_within_which_volume) #define number_of_processes_array (_comp->_parameters.number_of_processes_array) #define p_old (_comp->_parameters.p_old) #define log_index (_comp->_parameters.log_index) #define conditional_status (_comp->_parameters.conditional_status) #define this_logger (_comp->_parameters.this_logger) #define this_abs_logger (_comp->_parameters.this_abs_logger) #define tagging_conditional_list (_comp->_parameters.tagging_conditional_list) #define logger_conditional_extend_array (_comp->_parameters.logger_conditional_extend_array) #define abs_logger_conditional_extend_array (_comp->_parameters.abs_logger_conditional_extend_array) #define max_conditional_extend_index (_comp->_parameters.max_conditional_extend_index) #define tagging_conditional_extend (_comp->_parameters.tagging_conditional_extend) #define free_tagging_conditioanl_list (_comp->_parameters.free_tagging_conditioanl_list) #define safety_distance (_comp->_parameters.safety_distance) #define safety_distance2 (_comp->_parameters.safety_distance2) #define temporary_focus_data (_comp->_parameters.temporary_focus_data) #define this_focus_data (_comp->_parameters.this_focus_data) #define focus_data_index (_comp->_parameters.focus_data_index) #define r_old (_comp->_parameters.r_old) #define initial_weight (_comp->_parameters.initial_weight) #define abs_weight_factor (_comp->_parameters.abs_weight_factor) #define time_old (_comp->_parameters.time_old) #define absorption_index (_comp->_parameters.absorption_index) #define abs_weight_factor_set (_comp->_parameters.abs_weight_factor_set) #define my_abs (_comp->_parameters.my_abs) #define absorption_event_data (_comp->_parameters.absorption_event_data) #define abs_position (_comp->_parameters.abs_position) #define transformed_abs_position (_comp->_parameters.transformed_abs_position) #define t_abs_propagation (_comp->_parameters.t_abs_propagation) #define abs_distance (_comp->_parameters.abs_distance) #define abs_max_length (_comp->_parameters.abs_max_length) #define longest_surface_stack (_comp->_parameters.longest_surface_stack) #define interface_stack (_comp->_parameters.interface_stack) SIG_MESSAGE("[_test_sample_init] component test_sample=Union_master() INITIALISE [Union_master:0]"); if (_getcomp_index (init) < 0) { fprintf (stderr, "Union_master:%s: Error identifying Union_init component, %s is not a known component name.\n", NAME_CURRENT_COMP, init); exit (-1); } // Unpack global lists global_positions_to_transform_list_master = COMP_GETPAR3 (Union_init, init, global_positions_to_transform_list); global_rotations_to_transform_list_master = COMP_GETPAR3 (Union_init, init, global_rotations_to_transform_list); global_process_list_master = COMP_GETPAR3 (Union_init, init, global_process_list); global_material_list_master = COMP_GETPAR3 (Union_init, init, global_material_list); global_surface_list_master = COMP_GETPAR3 (Union_init, init, global_surface_list); global_geometry_list_master = COMP_GETPAR3 (Union_init, init, global_geometry_list); global_all_volume_logger_list_master = COMP_GETPAR3 (Union_init, init, global_all_volume_logger_list); global_specific_volumes_logger_list_master = COMP_GETPAR3 (Union_init, init, global_specific_volumes_logger_list); global_all_volume_abs_logger_list_master = COMP_GETPAR3 (Union_init, init, global_all_volume_abs_logger_list); global_specific_volumes_abs_logger_list_master = COMP_GETPAR3 (Union_init, init, global_specific_volumes_abs_logger_list); global_tagging_conditional_list_master = COMP_GETPAR3 (Union_init, init, global_tagging_conditional_list); global_master_list_master = COMP_GETPAR3 (Union_init, init, global_master_list); // It is possible to surpress warnings on starting volume by setting this to 1 starting_volume_warning = 0; // Start at 0 error messages, quit after 100. component_error_msg = 0; // For within_which_volume volume_0_found = 0; // For tagging tagging_leaf_counter = 0; // For masks number_of_masks = 0; number_of_masked_volumes = 0; // For surfaces longest_surface_stack = 0; // Use sanitation #ifndef ANY_GEOMETRY_DETECTOR_DECLARE printf ("\nERROR: Need to define at least one Volume using Union_cylinder or Union_box before using the Union_master component. \n"); exit (1); #endif #ifdef ANY_GEOMETRY_DETECTOR_DECLARE if (global_geometry_list_master->num_elements == 0) { printf ("\nERROR: Need to define at least one Volume using Union_cylinder or Union_box before using the Union_master component. \n"); printf (" Union_master component named \"%s\" is before any Volumes in the instrument file. At least one Volume need to be defined before\n", NAME_CURRENT_COMP); exit (1); } #endif // Parameters describing the safety distances close to surfaces, as scattering should not occur closer to a surface than the // accuracy of the intersection calculation. safety_distance = 1E-11; safety_distance2 = safety_distance * 2.0; // Write information to the global_master_list_master about the current Union_master sprintf (global_master_element.name, "%s", NAME_CURRENT_COMP); global_master_element.component_index = INDEX_CURRENT_COMP; add_element_to_master_list (global_master_list_master, global_master_element); if (inherit_number_of_scattering_events == 1 && global_master_list_master->num_elements == 1) { printf ("ERROR in Union_master with name %s. Inherit_number_of_scattering_events set to 1 for first Union_master component, but there is no preceeding " "Union_master component. Aborting.\n", NAME_CURRENT_COMP); exit (1); } this_global_master_index = global_master_list_master->num_elements - 1; // Save the index for this master in global master list // Set the component index of the previous Union_master component if one exists if (global_master_list_master->num_elements == 1) previous_master_index = 0; // no previous index else previous_master_index = global_master_list_master->elements[global_master_list_master->num_elements - 2] .component_index; // -2 because of zero indexing and needing the previous index. // printf("Assigned previous_master_index = %d \n",previous_master_index); // All volumes in the global_geometry_list_master is being check for activity using the number_of_activations input made for each geometry (default is 1) // In addition it is counted how many volumes, mask volumes and masked volumes are active in this Union_master. number_of_volumes = 1; // Starting with 1 as the surrounding vacuum is considered a volume number_of_masks = 0; // Starting with 0 mask volumes number_of_masked_volumes = 0; // Starting with 0 masked volumes for (iterator = 0; iterator < global_geometry_list_master->num_elements; iterator++) { if (global_geometry_list_master->elements[iterator].component_index < INDEX_CURRENT_COMP && global_geometry_list_master->elements[iterator].activation_counter > 0) { global_geometry_list_master->elements[iterator].active = 1; global_geometry_list_master->elements[iterator].activation_counter--; number_of_volumes++; if (global_geometry_list_master->elements[iterator].Volume->geometry.is_mask_volume == 1) number_of_masks++; if (global_geometry_list_master->elements[iterator].Volume->geometry.is_masked_volume == 1) number_of_masked_volumes++; } else global_geometry_list_master->elements[iterator].active = 0; } // Allocation of global lists geometry_component_index_list.num_elements = number_of_volumes; geometry_component_index_list.elements = malloc (geometry_component_index_list.num_elements * sizeof (int)); mask_volume_index_list.num_elements = number_of_masks; if (number_of_masks > 0) mask_volume_index_list.elements = malloc (number_of_masks * sizeof (int)); mask_status_list.num_elements = number_of_masks; if (number_of_masks > 0) mask_status_list.elements = malloc (number_of_masks * sizeof (int)); current_mask_intersect_list_status.num_elements = number_of_masked_volumes; if (number_of_masked_volumes > 0) current_mask_intersect_list_status.elements = malloc (number_of_masked_volumes * sizeof (int)); // Make a list of component index from each volume index volume_index = 0; for (iterator = 0; iterator < global_geometry_list_master->num_elements; iterator++) { if (global_geometry_list_master->elements[iterator].active == 1) geometry_component_index_list.elements[++volume_index] = global_geometry_list_master->elements[iterator].component_index; } geometry_component_index_list.elements[0] = 0; // Volume 0 is never set in the above code, but should never be used. // The input for this component is done through a series of input components // All information needed is stored in global lists, some of which is printed here for an overview to the user. MPI_MASTER ( // MPI_MASTER ensures just one thread output this information to the user if (verbal == 1) { printf ("---------------------------------------------------------------------\n"); printf ("global_process_list_master->num_elements: %d\n", global_process_list_master->num_elements); for (iterator = 0; iterator < global_process_list_master->num_elements; iterator++) { printf ("name of process [%d]: %s \n", iterator, global_process_list_master->elements[iterator].name); printf ("component index [%d]: %d \n", iterator, global_process_list_master->elements[iterator].component_index); } printf ("---------------------------------------------------------------------\n"); printf ("global_material_list_master->num_elements: %d\n", global_material_list_master->num_elements); for (iterator = 0; iterator < global_material_list_master->num_elements; iterator++) { printf ("name of material [%d]: %s \n", iterator, global_material_list_master->elements[iterator].name); printf ("component index [%d]: %d \n", iterator, global_material_list_master->elements[iterator].component_index); printf ("my_absoprtion [%d]: %f \n", iterator, global_material_list_master->elements[iterator].physics->my_a); printf ("number of processes [%d]: %d \n", iterator, global_material_list_master->elements[iterator].physics->number_of_processes); } printf ("---------------------------------------------------------------------\n"); printf ("global_geometry_list_master->num_elements: %d\n", global_material_list_master->num_elements); for (iterator = 0; iterator < global_geometry_list_master->num_elements; iterator++) { if (global_geometry_list_master->elements[iterator].active == 1) { printf ("\n"); printf ("name of geometry [%d]: %s \n", iterator, global_geometry_list_master->elements[iterator].name); printf ("component index [%d]: %d \n", iterator, global_geometry_list_master->elements[iterator].component_index); printf ("Volume.name [%d]: %s \n", iterator, global_geometry_list_master->elements[iterator].Volume->name); if (global_geometry_list_master->elements[iterator].Volume->geometry.is_mask_volume == 0) { printf ("Volume.p_physics.is_vacuum [%d]: %d \n", iterator, global_geometry_list_master->elements[iterator].Volume->p_physics->is_vacuum); printf ("Volume.p_physics.my_absorption [%d]: %f \n", iterator, global_geometry_list_master->elements[iterator].Volume->p_physics->my_a); printf ("Volume.p_physics.number of processes [%d]: %d \n", iterator, global_geometry_list_master->elements[iterator].Volume->p_physics->number_of_processes); } printf ("Volume.geometry.shape [%d]: %s \n", iterator, global_geometry_list_master->elements[iterator].Volume->geometry.shape); printf ("Volume.geometry.center.x [%d]: %f \n", iterator, global_geometry_list_master->elements[iterator].Volume->geometry.center.x); printf ("Volume.geometry.center.y [%d]: %f \n", iterator, global_geometry_list_master->elements[iterator].Volume->geometry.center.y); printf ("Volume.geometry.center.z [%d]: %f \n", iterator, global_geometry_list_master->elements[iterator].Volume->geometry.center.z); printf ("Volume.geometry.rotation_matrix[0] [%d]: [%f %f %f] \n", iterator, global_geometry_list_master->elements[iterator].Volume->geometry.rotation_matrix[0][0], global_geometry_list_master->elements[iterator].Volume->geometry.rotation_matrix[0][1], global_geometry_list_master->elements[iterator].Volume->geometry.rotation_matrix[0][2]); printf ("Volume.geometry.rotation_matrix[1] [%d]: [%f %f %f] \n", iterator, global_geometry_list_master->elements[iterator].Volume->geometry.rotation_matrix[1][0], global_geometry_list_master->elements[iterator].Volume->geometry.rotation_matrix[1][1], global_geometry_list_master->elements[iterator].Volume->geometry.rotation_matrix[1][2]); printf ("Volume.geometry.rotation_matrix[2] [%d]: [%f %f %f] \n", iterator, global_geometry_list_master->elements[iterator].Volume->geometry.rotation_matrix[2][0], global_geometry_list_master->elements[iterator].Volume->geometry.rotation_matrix[2][1], global_geometry_list_master->elements[iterator].Volume->geometry.rotation_matrix[2][2]); if (strcmp (global_geometry_list_master->elements[iterator].Volume->geometry.shape, "cylinder") == 0) { printf ("Volume.geometry.geometry_parameters.cyl_radius [%d]: %f \n", iterator, global_geometry_list_master->elements[iterator].Volume->geometry.geometry_parameters.p_cylinder_storage->cyl_radius); printf ("Volume.geometry.geometry_parameters.height [%d]: %f \n", iterator, global_geometry_list_master->elements[iterator].Volume->geometry.geometry_parameters.p_cylinder_storage->height); } printf ("Volume.geometry.focus_data_array.elements[0].Aim [%d]: [%f %f %f] \n", iterator, global_geometry_list_master->elements[iterator].Volume->geometry.focus_data_array.elements[0].Aim.x, global_geometry_list_master->elements[iterator].Volume->geometry.focus_data_array.elements[0].Aim.y, global_geometry_list_master->elements[iterator].Volume->geometry.focus_data_array.elements[0].Aim.z); } } printf ("---------------------------------------------------------------------\n"); printf ("number_of_volumes = %d\n", number_of_volumes); printf ("number_of_masks = %d\n", number_of_masks); printf ("number_of_masked_volumes = %d\n", number_of_masked_volumes); } ); // End MPI_MASTER // --- Initialization tasks independent of volume stucture ----------------------- // Store a pointer to the conditional list and update the current index in that structure // If no tagging_conditionals were defined between this and the previous master, a dummy is allocated instead if (global_tagging_conditional_list_master->num_elements == global_tagging_conditional_list_master->current_index + 1) { tagging_conditional_list = &global_tagging_conditional_list_master->elements[global_tagging_conditional_list_master->current_index++].conditional_list; free_tagging_conditioanl_list = 0; } else { tagging_conditional_list = malloc (sizeof (struct conditional_list_struct)); tagging_conditional_list->num_elements = 0; free_tagging_conditioanl_list = 1; } // Find the maximum logger extend index so that the correct memory allocation can be performed later // Here the loggers applied to all volumes are searched, later this result is compared to volume specific loggers and updated max_conditional_extend_index = -1; for (iterator = 0; iterator < global_all_volume_logger_list_master->num_elements; iterator++) { if (global_all_volume_logger_list_master->elements[iterator].logger->logger_extend_index > max_conditional_extend_index) { max_conditional_extend_index = global_all_volume_logger_list_master->elements[iterator].logger->logger_extend_index; } } // The absolute rotation of this component is saved for use in initialization rot_transpose (ROT_A_CURRENT_COMP, master_transposed_rotation_matrix); // Preceeding componnets can add coordinates and rotations to global_positions_to_transform and global_rotations_to_transform // in order to have these transformed into the coordinate system of the next master compoent in the instrument file. // Here these transformations are performed, and the lists are cleared so no transformed information is further altered by // next master components. // Position transformation for (iterator = 0; iterator < global_positions_to_transform_list_master->num_elements; iterator++) { non_rotated_position = coords_sub (*(global_positions_to_transform_list_master->positions[iterator]), POS_A_CURRENT_COMP); *(global_positions_to_transform_list_master->positions[iterator]) = rot_apply (ROT_A_CURRENT_COMP, non_rotated_position); } if (global_positions_to_transform_list_master->num_elements > 0) { global_positions_to_transform_list_master->num_elements = 0; free (global_positions_to_transform_list_master->positions); } // Rotation transformation for (iterator = 0; iterator < global_rotations_to_transform_list_master->num_elements; iterator++) { // print_rotation(*(global_rotations_to_transform_list_master->rotations[iterator]),"rotation matrix to be updated"); rot_mul (master_transposed_rotation_matrix, *(global_rotations_to_transform_list_master->rotations[iterator]), temp_rotation_matrix); rot_copy (*(global_rotations_to_transform_list_master->rotations[iterator]), temp_rotation_matrix); } if (global_rotations_to_transform_list_master->num_elements > 0) { global_rotations_to_transform_list_master->num_elements = 0; free (global_rotations_to_transform_list_master->rotations); } // --- Definition of volumes and loading of appropriate data ----------------------- // The information stored in global lists is to be stored in one array of structures that is allocated here Volumes = malloc (number_of_volumes * sizeof (struct Volume_struct*)); scattered_flag = malloc (number_of_volumes * sizeof (int)); scattered_flag_VP = (int**)malloc (number_of_volumes * sizeof (int*)); number_of_processes_array = malloc (number_of_volumes * sizeof (int)); // The mcdisplay functions need access to the other geomtries, but can not use the Volumes struct because of order of definition. // A separate list of pointers to the geometry structures is thus allocated Geometries = malloc (number_of_volumes * sizeof (struct geometry_struct*)); // When activation counter is used to have several copies of one volume, it can become necessary to have soft copies of volumes // Not all of these will necessarily be allocated or used. Volume_copies = malloc (number_of_volumes * sizeof (struct Volume_struct*)); Volume_copies_allocated.num_elements = 0; // The central structure is called a "Volume", it describes a region in space with certain scattering processes and absorption cross section // --- Volume 0 ------------------------------------------------------------------------------------------------ // Volume 0 is the vacuum surrounding the experiment (infinite, everywhere) and its properties are hardcoded here Volumes[0] = malloc (sizeof (struct Volume_struct)); strcpy (Volumes[0]->name, "Surrounding vacuum"); // Assign geometry // This information is meaningless for volume 0, and is never be acsessed in the logic. Volumes[0]->geometry.priority_value = 0.0; Volumes[0]->geometry.center.x = 0; Volumes[0]->geometry.center.y = 0; Volumes[0]->geometry.center.z = 0; strcpy (Volumes[0]->geometry.shape, "vacuum"); Volumes[0]->geometry.eShape = surroundings; Volumes[0]->geometry.within_function = &r_within_surroundings; // Always returns 1 // No physics struct allocated Volumes[0]->p_physics = NULL; number_of_processes_array[volume_index] = 0; // These are never used for volume 0, but by setting the length to 0 it is automatically skipped in many forloops without the need for an if statement Volumes[0]->geometry.children.num_elements = 0; Volumes[0]->geometry.direct_children.num_elements = 0; Volumes[0]->geometry.destinations_list.num_elements = 0; Volumes[0]->geometry.reduced_destinations_list.num_elements = 0; Volumes[0]->geometry.is_exit_volume = 0; Volumes[0]->geometry.masked_by_list.num_elements = 0; Volumes[0]->geometry.mask_list.num_elements = 0; Volumes[0]->geometry.masked_by_mask_index_list.num_elements = 0; Volumes[0]->geometry.mask_mode = 0; Volumes[0]->geometry.is_mask_volume = 0; Volumes[0]->geometry.is_masked_volume = 0; // A pointer to the geometry structure Geometries[0] = &Volumes[0]->geometry; // Logging initialization Volumes[0]->loggers.num_elements = 0; Volumes[0]->abs_loggers.num_elements = 0; // --- Loop over user defined volumes ------------------------------------------------------------------------ // Here the user defined volumes are loaded into the volume structure that is used in the ray-tracing // algorithm. Not all user defined volumes are used, some could be used by a previous master, some // could be used by the previous master, this one, and perhaps more. This is controlled by the // activation counter input for geometries, and is here condensed to the active variable. // Volumes that were used before max_number_of_processes = 0; // The maximum number of processes in a volume is assumed 0 and updated during the following loop volume_index = 0; mask_index_main = 0; for (geometry_list_index = 0; geometry_list_index < global_geometry_list_master->num_elements; geometry_list_index++) { if (global_geometry_list_master->elements[geometry_list_index].active == 1) { // Only include the volume if it is active volume_index++; // Connect a volume for each of the geometry.comp instances in the McStas instrument files if (global_geometry_list_master->elements[geometry_list_index].activation_counter == 0) { // This is the last time this volume is used, use the hard copy from the geometry component Volumes[volume_index] = global_geometry_list_master->elements[geometry_list_index].Volume; } else { // Since this volume is still needed more than this once, we need to make a shallow copy and use instead Volume_copies[volume_index] = malloc (sizeof (struct Volume_struct)); *(Volume_copies[volume_index]) = *global_geometry_list_master->elements[geometry_list_index].Volume; // Makes shallow copy Volumes[volume_index] = Volume_copies[volume_index]; add_element_to_int_list (&Volume_copies_allocated, volume_index); // Keep track of dynamically allocated volumes in order to free them in FINALLY. // The geometry storage needs a shallow copy as well (hard copy not necessary for any current geometries), may need changes in future // A simple copy_geometry_parameters function is added to the geometry in each geometry component Volumes[volume_index]->geometry.geometry_parameters = Volumes[volume_index]->geometry.copy_geometry_parameters ( &global_geometry_list_master->elements[geometry_list_index].Volume->geometry.geometry_parameters); // Copy focusing data too, it will be modified based on this master components rotation, so should not be reused copy_focus_data_array (&global_geometry_list_master->elements[geometry_list_index].Volume->geometry.focus_data_array, &Volumes[volume_index]->geometry.focus_data_array); } // This section identifies the different non isotropic processes in the current volume and give them appropriate transformation matrices // Identify the number of non isotropic processes in a material (this code can be safely executed for the same material many times) // A setting of -1 means no transformation necessary, other settings are assigned a unique identifier instead non_isotropic_found = 0; for (iterator = 0; iterator < Volumes[volume_index]->p_physics->number_of_processes; iterator++) { if (Volumes[volume_index]->p_physics->p_scattering_array[iterator].non_isotropic_rot_index != -1) { Volumes[volume_index]->p_physics->p_scattering_array[iterator].non_isotropic_rot_index = non_isotropic_found; non_isotropic_found++; } } // Update focusing absolute_rotation before running through processes, then this will be the baseline for nonisotropic processes // rot_copy(Volumes[volume_index]->geometry.focus_data_array.elements[0].absolute_rotation, ROT_A_CURRENT_COMP); Volumes[volume_index]->geometry.focus_array_indices.num_elements = 0; // For the non_isotropic volumes found, rotation matrices need to be allocated and calculated if (non_isotropic_found > 0) { // Allocation of rotation and transpose rotation matrices if (Volumes[volume_index]->geometry.process_rot_allocated == 0) { Volumes[volume_index]->geometry.process_rot_matrix_array = malloc (non_isotropic_found * sizeof (Rotation)); Volumes[volume_index]->geometry.transpose_process_rot_matrix_array = malloc (non_isotropic_found * sizeof (Rotation)); Volumes[volume_index]->geometry.process_rot_allocated = 1; } // Calculation of the appropriate rotation matrices for transformation between Union_master and the process in a given volume. non_isotropic_found = 0; for (iterator = 0; iterator < Volumes[volume_index]->p_physics->number_of_processes; iterator++) { if (Volumes[volume_index]->p_physics->p_scattering_array[iterator].non_isotropic_rot_index != -1) { // Transformation for each process / geometry combination // The focus vector is given in relation to the geometry and needs to be transformed to the process // Work on temporary_focus_data_element which is added to the focus_data_array_at the end temporary_focus_data = Volumes[volume_index]->geometry.focus_data_array.elements[0]; // Correct for process rotation // Aim temporary_focus_data.Aim = rot_apply (Volumes[volume_index]->p_physics->p_scattering_array[iterator].rotation_matrix, temporary_focus_data.Aim); // Absolute rotation of focus_data needs to updated using the rotation matrix from this process (before it is combined with the rotation matrix of the // geometry) rot_mul (Volumes[volume_index]->p_physics->p_scattering_array[iterator].rotation_matrix, temporary_focus_data.absolute_rotation, temp_rotation_matrix); rot_copy (temporary_focus_data.absolute_rotation, temp_rotation_matrix); // Add element to focus_array_indices // focus_array_indices refers to the correct element in focus_data_array for this volume/process combination // focus_data_array[0] is the isotropic version in all cases, so the first non_isotropic goes to focus_data_array[1] // and so forth. When a process is isotropic, this array is appended with a zero. // The focus_array_indices maps process numbers to the correct focus_data_array index. add_element_to_int_list (&Volumes[volume_index]->geometry.focus_array_indices, non_isotropic_found + 1); // Add the new focus_data element to this volumes focus_data_array. add_element_to_focus_data_array (&Volumes[volume_index]->geometry.focus_data_array, temporary_focus_data); // Quick error check to see the length is correct which indirectly confirms the indices are correct if (Volumes[volume_index]->geometry.focus_data_array.num_elements != non_isotropic_found + 2) { printf ("ERROR, focus_data_array length for volume %s inconsistent with number of non isotropic processes found!\n", Volumes[volume_index]->name); exit (1); } // Create rotation matrix for this specific volume / process combination to transform from master coordinate system to the non-isotropics process // coordinate system This is done by multipling the transpose master component roration matrix, the volume rotation, and then the process rotation // matrix onto the velocity / wavevector rot_mul (Volumes[volume_index]->geometry.rotation_matrix, master_transposed_rotation_matrix, temp_rotation_matrix); rot_mul (Volumes[volume_index]->p_physics->p_scattering_array[iterator].rotation_matrix, temp_rotation_matrix, Volumes[volume_index]->geometry.process_rot_matrix_array[non_isotropic_found]); // Need to transpose as well to transform back to the master coordinate system rot_transpose (Volumes[volume_index]->geometry.process_rot_matrix_array[non_isotropic_found], Volumes[volume_index]->geometry.transpose_process_rot_matrix_array[non_isotropic_found]); // Debug print // print_rotation(Volumes[volume_index]->geometry.process_rot_matrix_array[non_isotropic_found],"Process rotation matrix"); // print_rotation(Volumes[volume_index]->geometry.transpose_process_rot_matrix_array[non_isotropic_found],"Transpose process rotation matrix"); non_isotropic_found++; } else { // This process can use the standard isotropic focus_data_array which is indexed zero. add_element_to_int_list (&Volumes[volume_index]->geometry.focus_array_indices, 0); } } } else { // No non isotropic volumes found, focus_array_indices should just be a list of 0's of same length as the number of processes. // In this way all processes use the isotropic focus_data structure Volumes[volume_index]->geometry.focus_array_indices.elements = malloc (Volumes[volume_index]->p_physics->number_of_processes * sizeof (int)); for (iterator = 0; iterator < Volumes[volume_index]->p_physics->number_of_processes; iterator++) Volumes[volume_index]->geometry.focus_array_indices.elements[iterator] = 0; } rot_copy (Volumes[volume_index]->geometry.focus_data_array.elements[0].absolute_rotation, ROT_A_CURRENT_COMP); // This component works in its local coordinate system, and thus all information from the input components should be transformed to its coordinate system. // All the input components saved their absolute rotation/position into their Volume structure, and the absolute rotation of the current component is known. // The next section finds the relative rotation and translation of all the volumes and the master component. // Transform the rotation matrices for each volume rot_mul (ROT_A_CURRENT_COMP, Volumes[volume_index]->geometry.transpose_rotation_matrix, temp_rotation_matrix); // Copy the result back to the volumes structure rot_copy (Volumes[volume_index]->geometry.rotation_matrix, temp_rotation_matrix); // Now update the transpose as well rot_transpose (Volumes[volume_index]->geometry.rotation_matrix, temp_rotation_matrix); rot_copy (Volumes[volume_index]->geometry.transpose_rotation_matrix, temp_rotation_matrix); // Transform the position for each volume non_rotated_position.x = Volumes[volume_index]->geometry.center.x - POS_A_CURRENT_COMP.x; non_rotated_position.y = Volumes[volume_index]->geometry.center.y - POS_A_CURRENT_COMP.y; non_rotated_position.z = Volumes[volume_index]->geometry.center.z - POS_A_CURRENT_COMP.z; rot_transpose (ROT_A_CURRENT_COMP, temp_rotation_matrix); // REVIEW LINE rotated_position = rot_apply (ROT_A_CURRENT_COMP, non_rotated_position); Volumes[volume_index]->geometry.center.x = rotated_position.x; Volumes[volume_index]->geometry.center.y = rotated_position.y; Volumes[volume_index]->geometry.center.z = rotated_position.z; // Use same rotation on the aim vector of the isotropic focus_data element Volumes[volume_index]->geometry.focus_data_array.elements[0].Aim = rot_apply (Volumes[volume_index]->geometry.rotation_matrix, Volumes[volume_index]->geometry.focus_data_array.elements[0].Aim); // To allocate enough memory to hold information on all processes, the maximum of these is updated if this volume has more if (Volumes[volume_index]->p_physics->number_of_processes > max_number_of_processes) max_number_of_processes = Volumes[volume_index]->p_physics->number_of_processes; // Allocate memory to scattered_flag_VP (holds statistics for scatterings in each process of the volume) scattered_flag_VP[volume_index] = malloc (Volumes[volume_index]->p_physics->number_of_processes * sizeof (int)); number_of_processes_array[volume_index] = Volumes[volume_index]->p_physics->number_of_processes; // Normalizing and error checking process interact fraction number_of_process_interacts_set = 0; total_process_interact = 0; for (process_index = 0; process_index < Volumes[volume_index]->p_physics->number_of_processes; process_index++) { if (Volumes[volume_index]->p_physics->p_scattering_array[process_index].process_p_interact != -1) { number_of_process_interacts_set++; total_process_interact += Volumes[volume_index]->p_physics->p_scattering_array[process_index].process_p_interact; } else { index_of_lacking_process = process_index; } } if (number_of_process_interacts_set == 0) Volumes[volume_index]->p_physics->interact_control = 0; else Volumes[volume_index]->p_physics->interact_control = 1; // If all are set, check if they need renormalization so that the sum is one. if (number_of_process_interacts_set == Volumes[volume_index]->p_physics->number_of_processes) { if (total_process_interact > 1.001 || total_process_interact < 0.999) { for (process_index = 0; process_index < Volumes[volume_index]->p_physics->number_of_processes; process_index++) { Volumes[volume_index]->p_physics->p_scattering_array[process_index].process_p_interact = Volumes[volume_index]->p_physics->p_scattering_array[process_index].process_p_interact / total_process_interact; } } } else if (number_of_process_interacts_set != 0) { if (number_of_process_interacts_set == Volumes[volume_index]->p_physics->number_of_processes - 1) { // If all but one is set, it is an easy fix Volumes[volume_index]->p_physics->p_scattering_array[index_of_lacking_process].process_p_interact = 1 - total_process_interact; if (total_process_interact >= 1) { printf ("ERROR, material %s has a total interact_fraction above 1 and a process without an interact_fraction. Either set all so they can be " "renormalized, or have a sum below 1, so that the last can have 1 - sum.\n", Volumes[volume_index]->p_physics->name); exit (1); } } else { printf ("ERROR, material %s needs to have all, all minus one or none of its processes with an interact_fraction \n", Volumes[volume_index]->p_physics->name); exit (1); } } // Some initialization can only happen after the rotation matrix relative to the master is known // Such initialization is placed in the geometry component, and executed here through a function pointer Volumes[volume_index]->geometry.initialize_from_main_function (&Volumes[volume_index]->geometry); // Add pointer to geometry to Geometries Geometries[volume_index] = &Volumes[volume_index]->geometry; // Initialize mask intersect list Volumes[volume_index]->geometry.mask_intersect_list.num_elements = 0; // Here the mask_list and masked_by_list for the volume is updated from component index values to volume indexes for (iterator = 0; iterator < Volumes[volume_index]->geometry.mask_list.num_elements; iterator++) Volumes[volume_index]->geometry.mask_list.elements[iterator] = find_on_int_list (geometry_component_index_list, Volumes[volume_index]->geometry.mask_list.elements[iterator]); for (iterator = 0; iterator < Volumes[volume_index]->geometry.masked_by_list.num_elements; iterator++) Volumes[volume_index]->geometry.masked_by_list.elements[iterator] = find_on_int_list (geometry_component_index_list, Volumes[volume_index]->geometry.masked_by_list.elements[iterator]); // If the volume is a mask, its volume number is added to the mask_volume_index list so volume index can be converted to mask_index. if (Volumes[volume_index]->geometry.is_mask_volume == 1) Volumes[volume_index]->geometry.mask_index = mask_index_main; if (Volumes[volume_index]->geometry.is_mask_volume == 1) mask_volume_index_list.elements[mask_index_main++] = volume_index; // Check all loggers assosiated with this volume and update the max_conditional_extend_index if necessary for (iterator = 0; iterator < Volumes[volume_index]->loggers.num_elements; iterator++) { for (process_index = 0; process_index < Volumes[volume_index]->loggers.p_logger_volume[iterator].num_elements; process_index++) { if (Volumes[volume_index]->loggers.p_logger_volume[iterator].p_logger_process[process_index] != NULL) { if (Volumes[volume_index]->loggers.p_logger_volume[iterator].p_logger_process[process_index]->logger_extend_index > max_conditional_extend_index) max_conditional_extend_index = Volumes[volume_index]->loggers.p_logger_volume[iterator].p_logger_process[process_index]->logger_extend_index; } } } // Find longest surface length int surfaces_in_this_stack; for (iterator = 0; iterator < Volumes[volume_index]->geometry.number_of_faces; iterator++) { surfaces_in_this_stack = Volumes[volume_index]->geometry.surface_stack_for_each_face[iterator]->number_of_surfaces; if (surfaces_in_this_stack > longest_surface_stack) { longest_surface_stack = surfaces_in_this_stack; } } } } // Initialization for each volume done // ------- Initialization of ray-tracing algorithm ------------------------------------ my_trace = malloc (max_number_of_processes * sizeof (double)); my_trace_fraction_control = malloc (max_number_of_processes * sizeof (double)); // All geometries can have 2 intersections currently, when this changes the maximum number of solutions need to be reported to the Union_master. number_of_solutions = &number_of_solutions_static; component_error_msg = 0; // Pre allocated memory for destination list search pre_allocated1 = malloc (number_of_volumes * sizeof (int)); pre_allocated2 = malloc (number_of_volumes * sizeof (int)); pre_allocated3 = malloc (number_of_volumes * sizeof (int)); // Pre allocated memory to fit all surfaces in an interface interface_stack.number_of_surfaces = 2 * longest_surface_stack; interface_stack.p_surface_array = malloc (interface_stack.number_of_surfaces * sizeof (struct surface_process_struct*)); // Allocate memory for logger_conditional_extend_array used in the extend section of the master component, if it is needed. if (max_conditional_extend_index > -1) { logger_conditional_extend_array = malloc ((max_conditional_extend_index + 1) * sizeof (int)); } // In this function different lists of volume indecies are generated. They are the key to the speed of the component and central for the logic. // They use simple set algebra to generate these lists for each volume: // Children list for volume n: Indicies of volumes that are entirely within the set described by volume n // Overlap list for volume n: Indicies of volume that contains some of the set described by volume n (excluding volume n) // Intersect check list for volume n: Indicies of volumes to check for intersection if a ray originates from volume n (is generated from the children and // overlap lists) Parents list for volume n: Indicies of volumes that contain the entire set of volume n Grandparents lists for volume n: Indicies of volumes // that contain the entire set of at least one parent of volume n Destination list for volume n: Indicies of volumes that could be the destination volume when a // ray leaves volume n The overlap, parents and grandparents lists are local variables in the function, and not in the main scope. generate_lists (Volumes, &starting_lists, number_of_volumes, list_verbal); // Generate "safe starting list", which contains all volumes that the ray may enter from other components // These are all volumes without scattering or absorption // Updating mask lists from volume index to global_mask_indices // Filling out the masked_by list that uses mask indices for (volume_index = 0; volume_index < number_of_volumes; volume_index++) { Volumes[volume_index]->geometry.masked_by_mask_index_list.num_elements = Volumes[volume_index]->geometry.masked_by_list.num_elements; Volumes[volume_index]->geometry.masked_by_mask_index_list.elements = malloc (Volumes[volume_index]->geometry.masked_by_mask_index_list.num_elements * sizeof (int)); for (iterator = 0; iterator < Volumes[volume_index]->geometry.masked_by_list.num_elements; iterator++) Volumes[volume_index]->geometry.masked_by_mask_index_list.elements[iterator] = find_on_int_list (mask_volume_index_list, Volumes[volume_index]->geometry.masked_by_list.elements[iterator]); } int volume_index_main; // Checking for equal priorities in order to alert the user to a potential input error for (volume_index_main = 0; volume_index_main < number_of_volumes; volume_index_main++) { for (volume_index = 0; volume_index < number_of_volumes; volume_index++) if (Volumes[volume_index_main]->geometry.priority_value == Volumes[volume_index]->geometry.priority_value && volume_index_main != volume_index) { if (Volumes[volume_index_main]->geometry.is_mask_volume == 0 && Volumes[volume_index]->geometry.is_mask_volume == 0) { // Priority of masks do not matter printf ("ERROR in Union_master with name %s. The volumes named %s and %s have the same priority. Change the priorities so the one present in case of " "overlap has highest priority.\n", NAME_CURRENT_COMP, Volumes[volume_index_main]->name, Volumes[volume_index]->name); exit (1); } } } // Printing the generated lists for all volumes. MPI_MASTER (if (verbal) printf ("\n ---- Overview of the lists generated for each volume ---- \n"); if (verbal) printf ("List overview for surrounding vacuum\n"); for (volume_index_main = 0; volume_index_main < number_of_volumes; volume_index_main++) { if (verbal) { if (volume_index_main != 0) { if (Volumes[volume_index_main]->geometry.is_mask_volume == 0 || Volumes[volume_index_main]->geometry.is_masked_volume == 0 || Volumes[volume_index_main]->geometry.is_exit_volume == 0) { printf ("List overview for %s with %s shape made of %s\n", Volumes[volume_index_main]->name, Volumes[volume_index_main]->geometry.shape, Volumes[volume_index_main]->p_physics->name); } else { printf ("List overview for %s with shape %s\n", Volumes[volume_index_main]->name, Volumes[volume_index_main]->geometry.shape); } } } if (verbal) sprintf (string_output, "Children for Volume %d", volume_index_main); if (verbal) print_1d_int_list (Volumes[volume_index_main]->geometry.children, string_output); if (verbal) sprintf (string_output, "Direct_children for Volume %d", volume_index_main); if (verbal) print_1d_int_list (Volumes[volume_index_main]->geometry.direct_children, string_output); if (verbal) sprintf (string_output, "Intersect_check_list for Volume %d", volume_index_main); if (verbal) print_1d_int_list (Volumes[volume_index_main]->geometry.intersect_check_list, string_output); if (verbal) sprintf (string_output, "Mask_intersect_list for Volume %d", volume_index_main); if (verbal) print_1d_int_list (Volumes[volume_index_main]->geometry.mask_intersect_list, string_output); if (verbal) sprintf (string_output, "Destinations_list for Volume %d", volume_index_main); if (verbal) print_1d_int_list (Volumes[volume_index_main]->geometry.destinations_list, string_output); // if (verbal) sprintf(string_output,"Destinations_logic_list for Volume %d",volume_index_main); // if (verbal) print_1d_int_list(Volumes[volume_index_main]->geometry.destinations_logic_list,string_output); if (verbal) sprintf (string_output, "Reduced_destinations_list for Volume %d", volume_index_main); if (verbal) print_1d_int_list (Volumes[volume_index_main]->geometry.reduced_destinations_list, string_output); if (verbal) sprintf (string_output, "Next_volume_list for Volume %d", volume_index_main); if (verbal) print_1d_int_list (Volumes[volume_index_main]->geometry.next_volume_list, string_output); if (verbal) { if (volume_index_main != 0) printf (" Is_vacuum for Volume %d = %d\n", volume_index_main, Volumes[volume_index_main]->p_physics->is_vacuum); } if (verbal) { if (volume_index_main != 0) printf (" is_mask_volume for Volume %d = %d\n", volume_index_main, Volumes[volume_index_main]->geometry.is_mask_volume); } if (verbal) { if (volume_index_main != 0) printf (" is_masked_volume for Volume %d = %d\n", volume_index_main, Volumes[volume_index_main]->geometry.is_masked_volume); } if (verbal) { if (volume_index_main != 0) printf (" is_exit_volume for Volume %d = %d\n", volume_index_main, Volumes[volume_index_main]->geometry.is_exit_volume); } if (verbal) sprintf (string_output, "mask_list for Volume %d", volume_index_main); if (verbal) print_1d_int_list (Volumes[volume_index_main]->geometry.mask_list, string_output); if (verbal) sprintf (string_output, "masked_by_list for Volume %d", volume_index_main); if (verbal) print_1d_int_list (Volumes[volume_index_main]->geometry.masked_by_list, string_output); if (verbal) sprintf (string_output, "masked_by_mask_index_list for Volume %d", volume_index_main); if (verbal) print_1d_int_list (Volumes[volume_index_main]->geometry.masked_by_mask_index_list, string_output); if (verbal) printf (" mask_mode for Volume %d = %d\n", volume_index_main, Volumes[volume_index_main]->geometry.mask_mode); if (verbal) printf ("\n"); }) // End of MPI_MASTER // Initializing intersection_time_table // The intersection time table contains all information on intersection times for the current position/direction, and is cleared everytime a ray changes // direction. Not all entries needs to be calculated, so there is a variable that keeps track of which intersection times have been calculated in order to avoid // redoing that. When the intersections times are calculated for a volume, all future intersections are kept in the time table. Thus the memory allocation have // to take into account how many intersections there can be with each volume, but it is currently set to 2, but can easily be changed. This may need to be // reported by individual geometry components in the future. intersection_time_table.num_volumes = number_of_volumes; intersection_time_table.n_elements = (int*)malloc (intersection_time_table.num_volumes * sizeof (int)); intersection_time_table.calculated = (int*)malloc (intersection_time_table.num_volumes * sizeof (int)); intersection_time_table.intersection_times = (double**)malloc (intersection_time_table.num_volumes * sizeof (double*)); intersection_time_table.normal_vector_x = (double**)malloc (intersection_time_table.num_volumes * sizeof (double*)); intersection_time_table.normal_vector_y = (double**)malloc (intersection_time_table.num_volumes * sizeof (double*)); intersection_time_table.normal_vector_z = (double**)malloc (intersection_time_table.num_volumes * sizeof (double*)); intersection_time_table.surface_index = (int**)malloc (intersection_time_table.num_volumes * sizeof (int*)); for (iterator = 0; iterator < intersection_time_table.num_volumes; iterator++) { if (strcmp (Volumes[iterator]->geometry.shape, "mesh") == 0) { intersection_time_table.n_elements[iterator] = (int)100; // Meshes can have any number of intersections, here we allocate room for 100 } else { intersection_time_table.n_elements[iterator] = (int)2; // number of intersection for all other geometries } if (iterator == 0) intersection_time_table.n_elements[iterator] = (int)0; // number of intersection solutions intersection_time_table.calculated[iterator] = (int)0; // Initializing calculated logic if (iterator == 0) { intersection_time_table.intersection_times[0] = NULL; } else { // printf("allocating memory for volume %d \n", iterator); intersection_time_table.intersection_times[iterator] = (double*)malloc (intersection_time_table.n_elements[iterator] * sizeof (double)); intersection_time_table.normal_vector_x[iterator] = (double*)malloc (intersection_time_table.n_elements[iterator] * sizeof (double)); intersection_time_table.normal_vector_y[iterator] = (double*)malloc (intersection_time_table.n_elements[iterator] * sizeof (double)); intersection_time_table.normal_vector_z[iterator] = (double*)malloc (intersection_time_table.n_elements[iterator] * sizeof (double)); intersection_time_table.surface_index[iterator] = (int*)malloc (intersection_time_table.n_elements[iterator] * sizeof (int)); for (solutions = 0; solutions < intersection_time_table.n_elements[iterator]; solutions++) { intersection_time_table.intersection_times[iterator][solutions] = -1.0; intersection_time_table.normal_vector_x[iterator][solutions] = -1.0; intersection_time_table.normal_vector_y[iterator][solutions] = -1.0; intersection_time_table.normal_vector_z[iterator][solutions] = -1.0; intersection_time_table.surface_index[iterator][solutions] = -1; } } } // If enabled, the tagging system tracks all different histories sampled by the program. // Initialize the tagging tree // Allocate a list of host nodes with the same length as the number of volumes stop_creating_nodes = 0; stop_tagging_ray = 0; tagging_leaf_counter = 0; if (enable_tagging) { master_tagging_node_list.num_elements = number_of_volumes; master_tagging_node_list.elements = malloc (master_tagging_node_list.num_elements * sizeof (struct tagging_tree_node_struct*)); // Initialize for (volume_index = 0; volume_index < number_of_volumes; volume_index++) { // if (verbal) printf("Allocating master tagging node for volume number %d \n",volume_index); master_tagging_node_list.elements[volume_index] = initialize_tagging_tree_node (master_tagging_node_list.elements[volume_index], NULL, Volumes[volume_index]); // if (verbal) printf("Allocated master tagging node for volume number %d \n",volume_index); } } // Initialize loggers loggers_with_data_array.allocated_elements = 0; loggers_with_data_array.used_elements = 0; abs_loggers_with_data_array.allocated_elements = 0; abs_loggers_with_data_array.used_elements = 0; // Initialize data structure needed for surfaces // Signal initialization complete MPI_MASTER (printf ("Union_master component %s initialized sucessfully\n", NAME_CURRENT_COMP);) #undef enable_refraction #undef enable_reflection #undef verbal #undef list_verbal #undef finally_verbal #undef allow_inside_start #undef enable_tagging #undef history_limit #undef enable_conditionals #undef inherit_number_of_scattering_events #undef weight_ratio_limit #undef init #undef global_positions_to_transform_list_master #undef global_rotations_to_transform_list_master #undef global_process_list_master #undef global_material_list_master #undef global_surface_list_master #undef global_geometry_list_master #undef global_all_volume_logger_list_master #undef global_specific_volumes_logger_list_master #undef global_all_volume_abs_logger_list_master #undef global_specific_volumes_abs_logger_list_master #undef global_tagging_conditional_list_master #undef global_master_list_master #undef starting_volume_warning #undef global_master_element #undef this_global_master_index #undef previous_master_index #undef geometry_list_index #undef intersection_time_table #undef Volumes #undef Geometries #undef Volume_copies #undef starting_lists #undef Volume_copies_allocated #undef r #undef r_start #undef v #undef error_msg #undef component_error_msg #undef string_output #undef number_of_volumes #undef volume_index #undef process_index #undef iterator #undef solutions #undef max_number_of_processes #undef limit #undef solution #undef min_solution #undef ignore_closest #undef ignore_surface_index #undef min_volume #undef time_found #undef intersection_time #undef min_intersection_time #undef process #undef process_start #undef my_trace #undef p_my_trace #undef my_trace_fraction_control #undef k #undef k_new #undef k_old #undef k_rotated #undef v_length #undef my_sum #undef my_sum_plus_abs #undef culmative_probability #undef mc_prop #undef time_to_scattering #undef length_to_scattering #undef length_to_boundary #undef time_to_boundery #undef selected_process #undef scattering_event #undef time_propagated_without_scattering #undef a_next_volume_found #undef next_volume #undef next_volume_priority #undef done #undef current_volume #undef previous_volume #undef ray_sucseeded #undef number_of_solutions #undef number_of_solutions_static #undef check #undef start #undef intersection_with_children #undef geometry_output #undef tree_next_volume #undef pre_allocated1 #undef pre_allocated2 #undef pre_allocated3 #undef ray_position #undef ray_velocity #undef ray_velocity_rotated #undef ray_velocity_final #undef wavevector #undef wavevector_rotated #undef volume_0_found #undef scattered_flag #undef scattered_flag_VP #undef master_transposed_rotation_matrix #undef temp_rotation_matrix #undef temp_transpose_rotation_matrix #undef non_rotated_position #undef rotated_position #undef non_isotropic_found #undef master_tagging_node_list #undef current_tagging_node #undef tagging_leaf_counter #undef stop_tagging_ray #undef stop_creating_nodes #undef number_of_scattering_events #undef real_transmission_probability #undef mc_transmission_probability #undef number_of_process_interacts_set #undef index_of_lacking_process #undef total_process_interact #undef geometry_component_index_list #undef mask_volume_index_list #undef number_of_masks #undef number_of_masked_volumes #undef mask_status_list #undef current_mask_intersect_list_status #undef mask_index_main #undef mask_iterator #undef mask_start #undef mask_check #undef need_to_run_within_which_volume #undef number_of_processes_array #undef p_old #undef log_index #undef conditional_status #undef this_logger #undef this_abs_logger #undef tagging_conditional_list #undef logger_conditional_extend_array #undef abs_logger_conditional_extend_array #undef max_conditional_extend_index #undef tagging_conditional_extend #undef free_tagging_conditioanl_list #undef safety_distance #undef safety_distance2 #undef temporary_focus_data #undef this_focus_data #undef focus_data_index #undef r_old #undef initial_weight #undef abs_weight_factor #undef time_old #undef absorption_index #undef abs_weight_factor_set #undef my_abs #undef absorption_event_data #undef abs_position #undef transformed_abs_position #undef t_abs_propagation #undef abs_distance #undef abs_max_length #undef longest_surface_stack #undef interface_stack return(_comp); } /* class_Union_master_init */ _class_PSD_monitor_4PI *class_PSD_monitor_4PI_init(_class_PSD_monitor_4PI *_comp ) { #define nx (_comp->_parameters.nx) #define ny (_comp->_parameters.ny) #define filename (_comp->_parameters.filename) #define nowritefile (_comp->_parameters.nowritefile) #define radius (_comp->_parameters.radius) #define restore_neutron (_comp->_parameters.restore_neutron) #define PSD_N (_comp->_parameters.PSD_N) #define PSD_p (_comp->_parameters.PSD_p) #define PSD_p2 (_comp->_parameters.PSD_p2) SIG_MESSAGE("[_det_init] component det=PSD_monitor_4PI() INITIALISE [PSD_monitor_4PI:0]"); PSD_N = create_darr2d (nx, ny); PSD_p = create_darr2d (nx, ny); PSD_p2 = create_darr2d (nx, ny); // Use instance name for monitor output if no input was given if (!strcmp (filename, "\0")) sprintf (filename, "%s", NAME_CURRENT_COMP); #undef nx #undef ny #undef filename #undef nowritefile #undef radius #undef restore_neutron #undef PSD_N #undef PSD_p #undef PSD_p2 return(_comp); } /* class_PSD_monitor_4PI_init */ _class_Monitor_nD *class_Monitor_nD_init(_class_Monitor_nD *_comp ) { #define user1 (_comp->_parameters.user1) #define user2 (_comp->_parameters.user2) #define user3 (_comp->_parameters.user3) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define zdepth (_comp->_parameters.zdepth) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) #define zmin (_comp->_parameters.zmin) #define zmax (_comp->_parameters.zmax) #define bins (_comp->_parameters.bins) #define min (_comp->_parameters.min) #define max (_comp->_parameters.max) #define restore_neutron (_comp->_parameters.restore_neutron) #define radius (_comp->_parameters.radius) #define options (_comp->_parameters.options) #define filename (_comp->_parameters.filename) #define geometry (_comp->_parameters.geometry) #define nowritefile (_comp->_parameters.nowritefile) #define nexus_bins (_comp->_parameters.nexus_bins) #define username1 (_comp->_parameters.username1) #define username2 (_comp->_parameters.username2) #define username3 (_comp->_parameters.username3) #define DEFS (_comp->_parameters.DEFS) #define Vars (_comp->_parameters.Vars) #define detector (_comp->_parameters.detector) #define offdata (_comp->_parameters.offdata) SIG_MESSAGE("[_Banana_monitor_init] component Banana_monitor=Monitor_nD() INITIALISE [Monitor_nD:0]"); char tmp[CHAR_BUF_LENGTH]; strcpy (Vars.compcurname, NAME_CURRENT_COMP); Vars.compcurindex = INDEX_CURRENT_COMP; if (options != NULL) strncpy (Vars.option, options, CHAR_BUF_LENGTH); else { strcpy (Vars.option, "x y"); printf ("Monitor_nD: %s has no option specified. Setting to PSD ('x y') monitor.\n", NAME_CURRENT_COMP); } Vars.compcurpos = POS_A_CURRENT_COMP; if (strstr (Vars.option, "source")) strcat (Vars.option, " list, x y z vx vy vz t sx sy sz "); if (bins) { sprintf (tmp, " all bins=%ld ", (long)bins); strcat (Vars.option, tmp); } if (min > -FLT_MAX && max < FLT_MAX) { sprintf (tmp, " all limits=[%g %g]", min, max); strcat (Vars.option, tmp); } else if (min > -FLT_MAX) { sprintf (tmp, " all min=%g", min); strcat (Vars.option, tmp); } else if (max < FLT_MAX) { sprintf (tmp, " all max=%g", max); strcat (Vars.option, tmp); } /* transfer, "zero", and check username- and user variable strings to Vars struct*/ strncpy (Vars.UserName1, username1&& strlen (username1) && strcmp (username1, "0") && strcmp (username1, "NULL") ? username1 : "", 128); strncpy (Vars.UserName2, username2&& strlen (username2) && strcmp (username2, "0") && strcmp (username2, "NULL") ? username2 : "", 128); strncpy (Vars.UserName3, username3&& strlen (username3) && strcmp (username3, "0") && strcmp (username3, "NULL") ? username3 : "", 128); if (user1 && strlen (user1) && strcmp (user1, "0") && strcmp (user1, "NULL")) { strncpy (Vars.UserVariable1, user1, 128); int fail; _class_particle testparticle; particle_getvar (&testparticle, Vars.UserVariable1, &fail); if (fail) { fprintf (stderr, "Warning (%s): user1=%s is unknown. The signal will not be resolved - this is likely not what you intended.\n", NAME_CURRENT_COMP, user1); } } if (user2 && strlen (user2) && strcmp (user2, "0") && strcmp (user2, "NULL")) { strncpy (Vars.UserVariable2, user2, 128); int fail; _class_particle testparticle; particle_getvar (&testparticle, Vars.UserVariable2, &fail); if (fail) { fprintf (stderr, "Warning (%s): user2=%s is unknown. The signal will not be resolved - this is likely not what you intended.\n", NAME_CURRENT_COMP, user2); } } if (user3 && strlen (user3) && strcmp (user3, "0") && strcmp (user3, "NULL")) { strncpy (Vars.UserVariable3, user3, 128); int fail; _class_particle testparticle; particle_getvar (&testparticle, Vars.UserVariable3, &fail); if (fail) { fprintf (stderr, "Warning (%s): user3=%s is unknown. The signal will not be resolved - this is likely not what you intended.\n", NAME_CURRENT_COMP, user3); } } /*sanitize parameters set for curved shapes*/ if (strstr (Vars.option, "cylinder") || strstr (Vars.option, "banana") || strstr (Vars.option, "sphere")) { /*this _is_ an explicit curved shape. Should have a radius. Inherit from xwidth or zdepth (diameters), x has precedence.*/ if (!radius) { if (xwidth) { radius = xwidth / 2.0; } else { radius = zdepth / 2.0; } } else { xwidth = 2 * radius; } if (!yheight) { /*if not set - use the diameter as height for the curved object. This will likely only happen for spheres*/ yheight = 2 * radius; } } else if (radius) { /*radius is set - this must be a curved shape. Infer shape from yheight, and set remaining values (xwidth etc. They are used inside monitor_nd-lib.*/ xwidth = zdepth = 2 * radius; if (yheight) { /*a height is given (and no shape explitly set - assume cylinder*/ strcat (Vars.option, " banana"); } else { strcat (Vars.option, " sphere"); yheight = 2 * radius; } } int offflag = 0; if (geometry && strlen (geometry) && strcmp (geometry, "0") && strcmp (geometry, "NULL")) { #ifndef USE_OFF fprintf (stderr, "Error: You are attempting to use an OFF geometry without -DUSE_OFF. You will need to recompile with that define set!\n"); exit (-1); #else if (!off_init (geometry, xwidth, yheight, zdepth, 1, &offdata)) { printf ("Monitor_nD: %s could not initiate the OFF geometry %s. \n" " Defaulting to normal Monitor dimensions.\n", NAME_CURRENT_COMP, geometry); strcpy (geometry, ""); } else { offflag = 1; } #endif } if (!radius && !xwidth && !yheight && !zdepth && !xmin && !xmax && !ymin && !ymax && !strstr (Vars.option, "previous") && (!geometry || !strlen (geometry))) exit (printf ("Monitor_nD: %s has no dimension specified. Aborting (radius, xwidth, yheight, zdepth, previous, geometry).\n", NAME_CURRENT_COMP)); Monitor_nD_Init (&DEFS, &Vars, xwidth, yheight, zdepth, xmin, xmax, ymin, ymax, zmin, zmax, offflag, nexus_bins); if (Vars.Flag_OFF) { offdata.mantidflag = Vars.Flag_mantid; offdata.mantidoffset = Vars.Coord_Min[Vars.Coord_Number - 1]; } if (filename && strlen (filename) && strcmp (filename, "NULL") && strcmp (filename, "0")) strncpy (Vars.Mon_File, filename, 128); /* check if user given filename with ext will be used more than once */ if (((Vars.Flag_Multiple && Vars.Coord_Number > 1) || Vars.Flag_List) && strchr (Vars.Mon_File, '.')) { char* XY; XY = strrchr (Vars.Mon_File, '.'); *XY = '_'; } if (restore_neutron) Vars.Flag_parallel = 1; detector.m = 0; #ifdef USE_MPI MPI_MASTER (if (strstr (Vars.option, "auto") && mpi_node_count > 1) printf ("Monitor_nD: %s is using automatic limits option 'auto' together with MPI.\n" "WARNING this may create incorrect distributions (but integrated flux will be right).\n", NAME_CURRENT_COMP);); #else #ifdef OPENACC if (strstr (Vars.option, "auto")) printf ("Monitor_nD: %s is requesting automatic limits option 'auto' together with OpenACC.\n" "WARNING this feature is NOT supported using OpenACC and has been disabled!\n", NAME_CURRENT_COMP); #endif #endif #undef user1 #undef user2 #undef user3 #undef xwidth #undef yheight #undef zdepth #undef xmin #undef xmax #undef ymin #undef ymax #undef zmin #undef zmax #undef bins #undef min #undef max #undef restore_neutron #undef radius #undef options #undef filename #undef geometry #undef nowritefile #undef nexus_bins #undef username1 #undef username2 #undef username3 #undef DEFS #undef Vars #undef detector #undef offdata return(_comp); } /* class_Monitor_nD_init */ _class_PSDlin_monitor *class_PSDlin_monitor_init(_class_PSDlin_monitor *_comp ) { #define nbins (_comp->_parameters.nbins) #define filename (_comp->_parameters.filename) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) #define nowritefile (_comp->_parameters.nowritefile) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define restore_neutron (_comp->_parameters.restore_neutron) #define vertical (_comp->_parameters.vertical) #define PSDlin_N (_comp->_parameters.PSDlin_N) #define PSDlin_p (_comp->_parameters.PSDlin_p) #define PSDlin_p2 (_comp->_parameters.PSDlin_p2) SIG_MESSAGE("[_PSDlin_transmission_scattered_init] component PSDlin_transmission_scattered=PSDlin_monitor() INITIALISE [PSDlin_monitor:0]"); if (xwidth > 0) { xmax = xwidth / 2; xmin = -xmax; } if (yheight > 0) { ymax = yheight / 2; ymin = -ymax; } if ((xmin >= xmax) || (ymin >= ymax)) { printf ("PSDlin_monitor: %s: Null detection area !\n" "ERROR (xwidth,yheight,xmin,xmax,ymin,ymax). Exiting", NAME_CURRENT_COMP); exit (0); } PSDlin_N = create_darr1d (nbins); PSDlin_p = create_darr1d (nbins); PSDlin_p2 = create_darr1d (nbins); // Use instance name for monitor output if no input was given if (!strcmp (filename, "\0")) sprintf (filename, "%s", NAME_CURRENT_COMP); #undef nbins #undef filename #undef xmin #undef xmax #undef ymin #undef ymax #undef nowritefile #undef xwidth #undef yheight #undef restore_neutron #undef vertical #undef PSDlin_N #undef PSDlin_p #undef PSDlin_p2 return(_comp); } /* class_PSDlin_monitor_init */ int init(void) { /* called by mccode_main for Laue_camera:INITIALISE */ DEBUG_INSTR(); // Initialise rng srandom(_hash(mcseed-1)); /* code_main/parseoptions/readparams sets instrument parameters value */ stracpy(instrument->_name, "Laue_camera", 256); _init_setpos(); /* type Union_init */ _YBaCuO_incoherent_setpos(); /* type Incoherent_process */ _single_crystal_orientation_110_vertical_setpos(); /* type Arm */ _single_crystal_orientation_001_along_x_setpos(); /* type Arm */ _YBaCuO_single_crystal_setpos(); /* type Single_crystal_process */ _YBaCuO_setpos(); /* type Union_make_material */ _Origin_setpos(); /* type Progress_bar */ _source_setpos(); /* type Source_simple */ _slit_setpos(); /* type Slit */ _cylinder_sample_union_setpos(); /* type Union_cylinder */ _test_sample_setpos(); /* type Union_master */ _det_setpos(); /* type PSD_monitor_4PI */ _Banana_monitor_setpos(); /* type Monitor_nD */ _PSDlin_transmission_scattered_setpos(); /* type PSDlin_monitor */ _PSDlin_transmission_transmitted_setpos(); /* type PSDlin_monitor */ _stop_setpos(); /* type Union_stop */ /* call iteratively all components INITIALISE */ class_Union_init_init(&_init_var); class_Incoherent_process_init(&_YBaCuO_incoherent_var); class_Single_crystal_process_init(&_YBaCuO_single_crystal_var); class_Union_make_material_init(&_YBaCuO_var); class_Progress_bar_init(&_Origin_var); class_Source_simple_init(&_source_var); class_Slit_init(&_slit_var); class_Union_cylinder_init(&_cylinder_sample_union_var); class_Union_master_init(&_test_sample_var); class_PSD_monitor_4PI_init(&_det_var); class_Monitor_nD_init(&_Banana_monitor_var); class_PSDlin_monitor_init(&_PSDlin_transmission_scattered_var); class_PSDlin_monitor_init(&_PSDlin_transmission_transmitted_var); if (mcdotrace) display(); DEBUG_INSTR_END(); #ifdef OPENACC #include #pragma acc update device(_init_var) #pragma acc update device(_YBaCuO_incoherent_var) #pragma acc update device(_single_crystal_orientation_110_vertical_var) #pragma acc update device(_single_crystal_orientation_001_along_x_var) #pragma acc update device(_YBaCuO_single_crystal_var) #pragma acc update device(_YBaCuO_var) #pragma acc update device(_Origin_var) #pragma acc update device(_source_var) #pragma acc update device(_slit_var) #pragma acc update device(_cylinder_sample_union_var) #pragma acc update device(_test_sample_var) #pragma acc update device(_det_var) #pragma acc update device(_Banana_monitor_var) #pragma acc update device(_PSDlin_transmission_scattered_var) #pragma acc update device(_PSDlin_transmission_transmitted_var) #pragma acc update device(_stop_var) #pragma acc update device(_instrument_var) #endif return(0); } /* init */ /******************************************************************************* * components TRACE *******************************************************************************/ #define x (_particle->x) #define y (_particle->y) #define z (_particle->z) #define vx (_particle->vx) #define vy (_particle->vy) #define vz (_particle->vz) #define t (_particle->t) #define sx (_particle->sx) #define sy (_particle->sy) #define sz (_particle->sz) #define p (_particle->p) #define mcgravitation (_particle->mcgravitation) #define mcMagnet (_particle->mcMagnet) #define allow_backprop (_particle->allow_backprop) #define _mctmp_a (_particle->_mctmp_a) #define _mctmp_b (_particle->_mctmp_b) #define _mctmp_c (_particle->_mctmp_c) /* if on GPU, globally nullify sprintf,fprintf,printfs */ /* (Similar defines are available in each comp trace but */ /* those are not enough to handle external libs etc. ) */ #ifdef OPENACC #define fprintf(stderr,...) printf(__VA_ARGS__) #define sprintf(string,...) printf(__VA_ARGS__) #define exit(...) noprintf() #define strcmp(a,b) str_comp(a,b) #define strlen(a) str_len(a) #endif #define SCATTERED (_particle->_scattered) #define RESTORE (_particle->_restore) #define RESTORE_NEUTRON(_index, ...) _particle->_restore = _index; #define ABSORB0 do { DEBUG_STATE(); DEBUG_ABSORB(); MAGNET_OFF; ABSORBED++; return; } while(0) #define ABSORBED (_particle->_absorbed) #define mcget_run_num() _particle->_uid #define ABSORB ABSORB0 #pragma acc routine void class_Single_crystal_process_trace(_class_Single_crystal_process *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define reflections (_comp->_parameters.reflections) #define delta_d_d (_comp->_parameters.delta_d_d) #define mosaic (_comp->_parameters.mosaic) #define mosaic_a (_comp->_parameters.mosaic_a) #define mosaic_b (_comp->_parameters.mosaic_b) #define mosaic_c (_comp->_parameters.mosaic_c) #define mosaic_AB (_comp->_parameters.mosaic_AB) #define recip_cell (_comp->_parameters.recip_cell) #define barns (_comp->_parameters.barns) #define ax (_comp->_parameters.ax) #define ay (_comp->_parameters.ay) #define az (_comp->_parameters.az) #define bx (_comp->_parameters.bx) #define by (_comp->_parameters.by) #define bz (_comp->_parameters.bz) #define cx (_comp->_parameters.cx) #define cy (_comp->_parameters.cy) #define cz (_comp->_parameters.cz) #define aa (_comp->_parameters.aa) #define bb (_comp->_parameters.bb) #define cc (_comp->_parameters.cc) #define order (_comp->_parameters.order) #define RX (_comp->_parameters.RX) #define RY (_comp->_parameters.RY) #define RZ (_comp->_parameters.RZ) #define powder (_comp->_parameters.powder) #define PG (_comp->_parameters.PG) #define interact_fraction (_comp->_parameters.interact_fraction) #define packing_factor (_comp->_parameters.packing_factor) #define init (_comp->_parameters.init) #define Single_crystal_storage (_comp->_parameters.Single_crystal_storage) #define hkl_info_union (_comp->_parameters.hkl_info_union) #define global_process_element (_comp->_parameters.global_process_element) #define This_process (_comp->_parameters.This_process) SIG_MESSAGE("[_YBaCuO_single_crystal_trace] component YBaCuO_single_crystal=Single_crystal_process() TRACE [Single_crystal_process:0]"); // Trace should be empty, the simulation is done in Union_master #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + vx + vy + vz + x + y + z)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(vx) + fabs(vy) + fabs(vz) + fabs(x) + fabs(y) + fabs(z))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vx) || isinf(vx)) printf("NAN or INF found in vx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vy) || isinf(vy)) printf("NAN or INF found in vy, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vz) || isinf(vz)) printf("NAN or INF found in vz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif #undef reflections #undef delta_d_d #undef mosaic #undef mosaic_a #undef mosaic_b #undef mosaic_c #undef mosaic_AB #undef recip_cell #undef barns #undef ax #undef ay #undef az #undef bx #undef by #undef bz #undef cx #undef cy #undef cz #undef aa #undef bb #undef cc #undef order #undef RX #undef RY #undef RZ #undef powder #undef PG #undef interact_fraction #undef packing_factor #undef init #undef Single_crystal_storage #undef hkl_info_union #undef global_process_element #undef This_process return; } /* class_Single_crystal_process_trace */ #pragma acc routine void class_Progress_bar_trace(_class_Progress_bar *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define profile (_comp->_parameters.profile) #define percent (_comp->_parameters.percent) #define flag_save (_comp->_parameters.flag_save) #define minutes (_comp->_parameters.minutes) #define IntermediateCnts (_comp->_parameters.IntermediateCnts) #define StartTime (_comp->_parameters.StartTime) #define EndTime (_comp->_parameters.EndTime) #define CurrentTime (_comp->_parameters.CurrentTime) #define infostring (_comp->_parameters.infostring) SIG_MESSAGE("[_Origin_trace] component Origin=Progress_bar() TRACE [Progress_bar:0]"); #ifndef OPENACC double ncount; ncount = mcget_run_num (); if (!StartTime) { time (&StartTime); /* compute starting time */ IntermediateCnts = 1e3; } time_t NowTime; time (&NowTime); /* compute initial estimate of computation duration */ if (!EndTime && ncount >= IntermediateCnts) { CurrentTime = NowTime; if (difftime (NowTime, StartTime) > 10 && ncount) { /* wait 10 sec before writing ETA */ EndTime = StartTime + (time_t)(difftime (NowTime, StartTime) * (double)mcget_ncount () / ncount); IntermediateCnts = 0; MPI_MASTER (fprintf (stdout, "\nTrace ETA "); fprintf (stdout, "%s", infostring); if (difftime (EndTime, StartTime) < 60.0) fprintf (stdout, "%g [s] ", difftime (EndTime, StartTime)); else if (difftime (EndTime, StartTime) > 3600.0) fprintf (stdout, "%g [h] ", difftime (EndTime, StartTime) / 3600.0); else fprintf (stdout, "%g [min] ", difftime (EndTime, StartTime) / 60.0); fprintf (stdout, "\n");); } else IntermediateCnts += 1e3; fflush (stdout); } /* display percentage when percent or minutes have reached step */ if (EndTime && mcget_ncount () && ((minutes && difftime (NowTime, CurrentTime) > minutes * 60) || (percent && !minutes && ncount >= IntermediateCnts))) { MPI_MASTER (fprintf (stdout, "%llu %%\n", (unsigned long long)(ncount * 100.0 / mcget_ncount ())); fflush (stdout);); CurrentTime = NowTime; IntermediateCnts = ncount + percent * mcget_ncount () / 100; /* check that next intermediate ncount check is a multiple of the desired percentage */ IntermediateCnts = floor (IntermediateCnts * 100 / percent / mcget_ncount ()) * percent * mcget_ncount () / 100; /* raise flag to indicate that we did something */ SCATTER; if (flag_save) save (NULL); } #endif #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + vx + vy + vz + x + y + z)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(vx) + fabs(vy) + fabs(vz) + fabs(x) + fabs(y) + fabs(z))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vx) || isinf(vx)) printf("NAN or INF found in vx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vy) || isinf(vy)) printf("NAN or INF found in vy, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vz) || isinf(vz)) printf("NAN or INF found in vz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif #undef profile #undef percent #undef flag_save #undef minutes #undef IntermediateCnts #undef StartTime #undef EndTime #undef CurrentTime #undef infostring return; } /* class_Progress_bar_trace */ #pragma acc routine void class_Source_simple_trace(_class_Source_simple *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define radius (_comp->_parameters.radius) #define yheight (_comp->_parameters.yheight) #define xwidth (_comp->_parameters.xwidth) #define dist (_comp->_parameters.dist) #define focus_xw (_comp->_parameters.focus_xw) #define focus_yh (_comp->_parameters.focus_yh) #define E0 (_comp->_parameters.E0) #define dE (_comp->_parameters.dE) #define lambda0 (_comp->_parameters.lambda0) #define dlambda (_comp->_parameters.dlambda) #define flux (_comp->_parameters.flux) #define gauss (_comp->_parameters.gauss) #define target_index (_comp->_parameters.target_index) #define pmul (_comp->_parameters.pmul) #define srcArea (_comp->_parameters.srcArea) #define square (_comp->_parameters.square) #define tx (_comp->_parameters.tx) #define ty (_comp->_parameters.ty) #define tz (_comp->_parameters.tz) SIG_MESSAGE("[_source_trace] component source=Source_simple() TRACE [Source_simple:0]"); double chi,E,lambda,v,r, xf, yf, rf, dx, dy, pdir; t=0; z=0; if (square == 1) { x = xwidth * (rand01() - 0.5); y = yheight * (rand01() - 0.5); } else { chi=2*PI*rand01(); /* Choose point on source */ r=sqrt(rand01())*radius; /* with uniform distribution. */ x=r*cos(chi); y=r*sin(chi); } randvec_target_rect_real(&xf, &yf, &rf, &pdir, tx, ty, tz, focus_xw, focus_yh, ROT_A_CURRENT_COMP, x, y, z, 2); dx = xf-x; dy = yf-y; rf = sqrt(dx*dx+dy*dy+rf*rf); p = pdir*pmul; if(lambda0==0) { if (!gauss) { E=E0+dE*randpm1(); /* Choose from uniform distribution */ } else { E=E0+randnorm()*dE; } v=sqrt(E)*SE2V; } else { if (!gauss) { lambda=lambda0+dlambda*randpm1(); } else { lambda=lambda0+randnorm()*dlambda; } v = K2V*(2*PI/lambda); } vz=v*dist/rf; vy=v*dy/rf; vx=v*dx/rf; #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + vx + vy + vz + x + y + z)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(vx) + fabs(vy) + fabs(vz) + fabs(x) + fabs(y) + fabs(z))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vx) || isinf(vx)) printf("NAN or INF found in vx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vy) || isinf(vy)) printf("NAN or INF found in vy, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vz) || isinf(vz)) printf("NAN or INF found in vz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif #undef radius #undef yheight #undef xwidth #undef dist #undef focus_xw #undef focus_yh #undef E0 #undef dE #undef lambda0 #undef dlambda #undef flux #undef gauss #undef target_index #undef pmul #undef srcArea #undef square #undef tx #undef ty #undef tz return; } /* class_Source_simple_trace */ #pragma acc routine void class_Slit_trace(_class_Slit *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) #define radius (_comp->_parameters.radius) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define isradial (_comp->_parameters.isradial) SIG_MESSAGE("[_slit_trace] component slit=Slit() TRACE [Slit:0]"); PROP_Z0; if (!isradial ? (x < xmin || x > xmax || y < ymin || y > ymax) : (x * x + y * y > radius * radius)) ABSORB; else SCATTER; #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + vx + vy + vz + x + y + z)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(vx) + fabs(vy) + fabs(vz) + fabs(x) + fabs(y) + fabs(z))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vx) || isinf(vx)) printf("NAN or INF found in vx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vy) || isinf(vy)) printf("NAN or INF found in vy, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vz) || isinf(vz)) printf("NAN or INF found in vz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif #undef xmin #undef xmax #undef ymin #undef ymax #undef radius #undef xwidth #undef yheight #undef isradial return; } /* class_Slit_trace */ void class_Union_master_trace(_class_Union_master *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define enable_refraction (_comp->_parameters.enable_refraction) #define enable_reflection (_comp->_parameters.enable_reflection) #define verbal (_comp->_parameters.verbal) #define list_verbal (_comp->_parameters.list_verbal) #define finally_verbal (_comp->_parameters.finally_verbal) #define allow_inside_start (_comp->_parameters.allow_inside_start) #define enable_tagging (_comp->_parameters.enable_tagging) #define history_limit (_comp->_parameters.history_limit) #define enable_conditionals (_comp->_parameters.enable_conditionals) #define inherit_number_of_scattering_events (_comp->_parameters.inherit_number_of_scattering_events) #define weight_ratio_limit (_comp->_parameters.weight_ratio_limit) #define init (_comp->_parameters.init) #define global_positions_to_transform_list_master (_comp->_parameters.global_positions_to_transform_list_master) #define global_rotations_to_transform_list_master (_comp->_parameters.global_rotations_to_transform_list_master) #define global_process_list_master (_comp->_parameters.global_process_list_master) #define global_material_list_master (_comp->_parameters.global_material_list_master) #define global_surface_list_master (_comp->_parameters.global_surface_list_master) #define global_geometry_list_master (_comp->_parameters.global_geometry_list_master) #define global_all_volume_logger_list_master (_comp->_parameters.global_all_volume_logger_list_master) #define global_specific_volumes_logger_list_master (_comp->_parameters.global_specific_volumes_logger_list_master) #define global_all_volume_abs_logger_list_master (_comp->_parameters.global_all_volume_abs_logger_list_master) #define global_specific_volumes_abs_logger_list_master (_comp->_parameters.global_specific_volumes_abs_logger_list_master) #define global_tagging_conditional_list_master (_comp->_parameters.global_tagging_conditional_list_master) #define global_master_list_master (_comp->_parameters.global_master_list_master) #define starting_volume_warning (_comp->_parameters.starting_volume_warning) #define global_master_element (_comp->_parameters.global_master_element) #define this_global_master_index (_comp->_parameters.this_global_master_index) #define previous_master_index (_comp->_parameters.previous_master_index) #define geometry_list_index (_comp->_parameters.geometry_list_index) #define intersection_time_table (_comp->_parameters.intersection_time_table) #define Volumes (_comp->_parameters.Volumes) #define Geometries (_comp->_parameters.Geometries) #define Volume_copies (_comp->_parameters.Volume_copies) #define starting_lists (_comp->_parameters.starting_lists) #define Volume_copies_allocated (_comp->_parameters.Volume_copies_allocated) #define r (_comp->_parameters.r) #define r_start (_comp->_parameters.r_start) #define v (_comp->_parameters.v) #define error_msg (_comp->_parameters.error_msg) #define component_error_msg (_comp->_parameters.component_error_msg) #define string_output (_comp->_parameters.string_output) #define number_of_volumes (_comp->_parameters.number_of_volumes) #define volume_index (_comp->_parameters.volume_index) #define process_index (_comp->_parameters.process_index) #define iterator (_comp->_parameters.iterator) #define solutions (_comp->_parameters.solutions) #define max_number_of_processes (_comp->_parameters.max_number_of_processes) #define limit (_comp->_parameters.limit) #define solution (_comp->_parameters.solution) #define min_solution (_comp->_parameters.min_solution) #define ignore_closest (_comp->_parameters.ignore_closest) #define ignore_surface_index (_comp->_parameters.ignore_surface_index) #define min_volume (_comp->_parameters.min_volume) #define time_found (_comp->_parameters.time_found) #define intersection_time (_comp->_parameters.intersection_time) #define min_intersection_time (_comp->_parameters.min_intersection_time) #define process (_comp->_parameters.process) #define process_start (_comp->_parameters.process_start) #define my_trace (_comp->_parameters.my_trace) #define p_my_trace (_comp->_parameters.p_my_trace) #define my_trace_fraction_control (_comp->_parameters.my_trace_fraction_control) #define k (_comp->_parameters.k) #define k_new (_comp->_parameters.k_new) #define k_old (_comp->_parameters.k_old) #define k_rotated (_comp->_parameters.k_rotated) #define v_length (_comp->_parameters.v_length) #define my_sum (_comp->_parameters.my_sum) #define my_sum_plus_abs (_comp->_parameters.my_sum_plus_abs) #define culmative_probability (_comp->_parameters.culmative_probability) #define mc_prop (_comp->_parameters.mc_prop) #define time_to_scattering (_comp->_parameters.time_to_scattering) #define length_to_scattering (_comp->_parameters.length_to_scattering) #define length_to_boundary (_comp->_parameters.length_to_boundary) #define time_to_boundery (_comp->_parameters.time_to_boundery) #define selected_process (_comp->_parameters.selected_process) #define scattering_event (_comp->_parameters.scattering_event) #define time_propagated_without_scattering (_comp->_parameters.time_propagated_without_scattering) #define a_next_volume_found (_comp->_parameters.a_next_volume_found) #define next_volume (_comp->_parameters.next_volume) #define next_volume_priority (_comp->_parameters.next_volume_priority) #define done (_comp->_parameters.done) #define current_volume (_comp->_parameters.current_volume) #define previous_volume (_comp->_parameters.previous_volume) #define ray_sucseeded (_comp->_parameters.ray_sucseeded) #define number_of_solutions (_comp->_parameters.number_of_solutions) #define number_of_solutions_static (_comp->_parameters.number_of_solutions_static) #define check (_comp->_parameters.check) #define start (_comp->_parameters.start) #define intersection_with_children (_comp->_parameters.intersection_with_children) #define geometry_output (_comp->_parameters.geometry_output) #define tree_next_volume (_comp->_parameters.tree_next_volume) #define pre_allocated1 (_comp->_parameters.pre_allocated1) #define pre_allocated2 (_comp->_parameters.pre_allocated2) #define pre_allocated3 (_comp->_parameters.pre_allocated3) #define ray_position (_comp->_parameters.ray_position) #define ray_velocity (_comp->_parameters.ray_velocity) #define ray_velocity_rotated (_comp->_parameters.ray_velocity_rotated) #define ray_velocity_final (_comp->_parameters.ray_velocity_final) #define wavevector (_comp->_parameters.wavevector) #define wavevector_rotated (_comp->_parameters.wavevector_rotated) #define volume_0_found (_comp->_parameters.volume_0_found) #define scattered_flag (_comp->_parameters.scattered_flag) #define scattered_flag_VP (_comp->_parameters.scattered_flag_VP) #define master_transposed_rotation_matrix (_comp->_parameters.master_transposed_rotation_matrix) #define temp_rotation_matrix (_comp->_parameters.temp_rotation_matrix) #define temp_transpose_rotation_matrix (_comp->_parameters.temp_transpose_rotation_matrix) #define non_rotated_position (_comp->_parameters.non_rotated_position) #define rotated_position (_comp->_parameters.rotated_position) #define non_isotropic_found (_comp->_parameters.non_isotropic_found) #define master_tagging_node_list (_comp->_parameters.master_tagging_node_list) #define current_tagging_node (_comp->_parameters.current_tagging_node) #define tagging_leaf_counter (_comp->_parameters.tagging_leaf_counter) #define stop_tagging_ray (_comp->_parameters.stop_tagging_ray) #define stop_creating_nodes (_comp->_parameters.stop_creating_nodes) #define number_of_scattering_events (_comp->_parameters.number_of_scattering_events) #define real_transmission_probability (_comp->_parameters.real_transmission_probability) #define mc_transmission_probability (_comp->_parameters.mc_transmission_probability) #define number_of_process_interacts_set (_comp->_parameters.number_of_process_interacts_set) #define index_of_lacking_process (_comp->_parameters.index_of_lacking_process) #define total_process_interact (_comp->_parameters.total_process_interact) #define geometry_component_index_list (_comp->_parameters.geometry_component_index_list) #define mask_volume_index_list (_comp->_parameters.mask_volume_index_list) #define number_of_masks (_comp->_parameters.number_of_masks) #define number_of_masked_volumes (_comp->_parameters.number_of_masked_volumes) #define mask_status_list (_comp->_parameters.mask_status_list) #define current_mask_intersect_list_status (_comp->_parameters.current_mask_intersect_list_status) #define mask_index_main (_comp->_parameters.mask_index_main) #define mask_iterator (_comp->_parameters.mask_iterator) #define mask_start (_comp->_parameters.mask_start) #define mask_check (_comp->_parameters.mask_check) #define need_to_run_within_which_volume (_comp->_parameters.need_to_run_within_which_volume) #define number_of_processes_array (_comp->_parameters.number_of_processes_array) #define p_old (_comp->_parameters.p_old) #define log_index (_comp->_parameters.log_index) #define conditional_status (_comp->_parameters.conditional_status) #define this_logger (_comp->_parameters.this_logger) #define this_abs_logger (_comp->_parameters.this_abs_logger) #define tagging_conditional_list (_comp->_parameters.tagging_conditional_list) #define logger_conditional_extend_array (_comp->_parameters.logger_conditional_extend_array) #define abs_logger_conditional_extend_array (_comp->_parameters.abs_logger_conditional_extend_array) #define max_conditional_extend_index (_comp->_parameters.max_conditional_extend_index) #define tagging_conditional_extend (_comp->_parameters.tagging_conditional_extend) #define free_tagging_conditioanl_list (_comp->_parameters.free_tagging_conditioanl_list) #define safety_distance (_comp->_parameters.safety_distance) #define safety_distance2 (_comp->_parameters.safety_distance2) #define temporary_focus_data (_comp->_parameters.temporary_focus_data) #define this_focus_data (_comp->_parameters.this_focus_data) #define focus_data_index (_comp->_parameters.focus_data_index) #define r_old (_comp->_parameters.r_old) #define initial_weight (_comp->_parameters.initial_weight) #define abs_weight_factor (_comp->_parameters.abs_weight_factor) #define time_old (_comp->_parameters.time_old) #define absorption_index (_comp->_parameters.absorption_index) #define abs_weight_factor_set (_comp->_parameters.abs_weight_factor_set) #define my_abs (_comp->_parameters.my_abs) #define absorption_event_data (_comp->_parameters.absorption_event_data) #define abs_position (_comp->_parameters.abs_position) #define transformed_abs_position (_comp->_parameters.transformed_abs_position) #define t_abs_propagation (_comp->_parameters.t_abs_propagation) #define abs_distance (_comp->_parameters.abs_distance) #define abs_max_length (_comp->_parameters.abs_max_length) #define longest_surface_stack (_comp->_parameters.longest_surface_stack) #define interface_stack (_comp->_parameters.interface_stack) SIG_MESSAGE("[_test_sample_trace] component test_sample=Union_master() TRACE [Union_master:0]"); #ifdef Union_trace_verbal_setting printf ("\n\n\n\n\n----------- NEW RAY -------------------------------------------------\n"); printf ("Union_master component name: %s \n \n", NAME_CURRENT_COMP); #endif double start_weight; start_weight = p; double weight_limit; weight_limit = p * weight_ratio_limit; // Initialize logic done = 0; error_msg = 0; clear_intersection_table (&intersection_time_table); time_propagated_without_scattering = 0; v_length = sqrt (vx * vx + vy * vy + vz * vz); // Initialize logger system / Statistics number_of_scattering_events = 0; if (inherit_number_of_scattering_events == 1) // Continue number of scattering from previous Union_master number_of_scattering_events = global_master_list_master->elements[this_global_master_index - 1].stored_number_of_scattering_events; // Zero scattered_flag_VP data for (volume_index = 1; volume_index < number_of_volumes; volume_index++) { // No reason to update volume 0, as scattering doesn't happen there scattered_flag[volume_index] = 0; for (process_index = 0; process_index < number_of_processes_array[volume_index]; process_index++) scattered_flag_VP[volume_index][process_index] = 0; } // If first Union_master in instrument, reset loggers_with_data_array and clean unused data. // Unused data happens when logging data is passed to the next Union_master, but the ray is absorbed on the way. // Could be improved by using the precompiler instead as ncount times the number of Union_masters could be avoided. if (global_master_list_master->elements[0].component_index == INDEX_CURRENT_COMP) { // If this is the first Union master, clean up logger data for rays that did not make it through Union components for (log_index = loggers_with_data_array.used_elements - 1; log_index > -1; log_index--) { loggers_with_data_array.logger_pointers[log_index]->function_pointers.clear_temp (&loggers_with_data_array.logger_pointers[log_index]->data_union); } loggers_with_data_array.used_elements = 0; for (log_index = abs_loggers_with_data_array.used_elements - 1; log_index > -1; log_index--) { abs_loggers_with_data_array.abs_logger_pointers[log_index]->function_pointers.clear_temp ( &abs_loggers_with_data_array.abs_logger_pointers[log_index]->data_union); } abs_loggers_with_data_array.used_elements = 0; } tagging_conditional_extend = 0; for (iterator = 0; iterator < max_conditional_extend_index + 1; iterator++) { logger_conditional_extend_array[iterator] = 0; } // Need to clean up the double notation for position and velocity. // REVIEW_LINE r_start[0] = x; r_start[1] = y; r_start[2] = z; r[0] = x; r[1] = y; r[2] = z; v[0] = vx; v[1] = vy; v[2] = vz; // REVIEW_LINE r and v are bad names k[0] = V2K * vx; k[1] = V2K * vy; k[2] = V2K * vz; ray_position = coords_set (x, y, z); ray_velocity = coords_set (vx, vy, vz); // Mask update: need to check the mask status for the initial position // mask status for a mask is 1 if the ray position is inside, 0 if it is outside for (iterator = 0; iterator < number_of_masks; iterator++) { // CPU Only // if(Volumes[mask_volume_index_list.elements[iterator]]->geometry.within_function(ray_position,&Volumes[mask_volume_index_list.elements[iterator]]->geometry) // == 1) { // GPU if (r_within_function (ray_position, &Volumes[mask_volume_index_list.elements[iterator]]->geometry) == 1) { mask_status_list.elements[iterator] = 1; } else { mask_status_list.elements[iterator] = 0; } } #ifdef Union_trace_verbal_setting print_1d_int_list (mask_status_list, "Initial mask status list"); #endif // Now the initial current_volume can be found, which requires the up to date mask_status_list current_volume = within_which_volume_GPU (ray_position, starting_lists.reduced_start_list, starting_lists.starting_destinations_list, Volumes, &mask_status_list, number_of_volumes, pre_allocated1, pre_allocated2, pre_allocated3); // For excluding closest intersection in search after refraction/reflection ignore_closest = -1; // Using the mask_status_list and the current volume, the current_mask_intersect_list_status can be made // it contains the effective mask status of all volumes on the current volumes mask intersect list, which needs to be calculated, // but only when the current volume or mask status changes, not under for example scattering inside the current volume update_current_mask_intersect_status (¤t_mask_intersect_list_status, &mask_status_list, Volumes, ¤t_volume); #ifdef Union_trace_verbal_setting printf ("Starting current_volume = %d\n", current_volume); #endif // Check if the ray appeared in an allowed starting volume, unless this check is disabled by the user for advanced cases if (allow_inside_start == 0 && starting_lists.allowed_starting_volume_logic_list.elements[current_volume] == 0) { printf ("ERROR, ray ''teleported'' into Union component %s, if intentional, set allow_inside_start=1\n", NAME_CURRENT_COMP); // NEED ERROR FLAG: Need to set an error flag that is read in finally to warn user of problem. exit (1); } // Warn the user that rays have appeared inside a volume instead of outside as expected if (starting_volume_warning == 0 && current_volume != 0) { printf ("WARNING: Ray started in volume ''%s'' rather than the surrounding vacuum in component %s. This warning is only shown once.\n", Volumes[current_volume]->name, NAME_CURRENT_COMP); starting_volume_warning = 1; } // Placing the new ray at the start of the tagging tree corresponding to current volume // A history limit can be imposed so that no new nodes are created after this limit (may be necessary to fit in memory) // Rays can still follow the nodes created before even when no additional nodes are created, but if a situation that // requires a new node is encountered, stop_tagging_ray is set to 1, stopping further tagging and preventing the data // for that ray to be used further. if (enable_tagging) { current_tagging_node = master_tagging_node_list.elements[current_volume]; stop_tagging_ray = 0; // Allow this ray to be tracked if (tagging_leaf_counter > history_limit) stop_creating_nodes = 1; } #ifdef Union_trace_verbal_setting if (enable_tagging) printf ("current_tagging_node->intensity = %f\n", current_tagging_node->intensity); if (enable_tagging) printf ("current_tagging_node->number_of_rays = %d \n", current_tagging_node->number_of_rays); #endif // Propagation loop including scattering // This while loop continues until the ray leaves the ensamble of user defined volumes either through volume 0 // or a dedicated exit volume. The loop is cancelled after a large number of iterations as a failsafe for errors. // A single run of the loop will either be a propagation to the next volume along the path of the ray, or a // scattering event at some point along the path of the ray in the current volume. limit = 100000; while (done == 0) { limit--; #ifdef Union_trace_verbal_setting printf ("----------- START OF WHILE LOOP --------------------------------------\n"); print_intersection_table (&intersection_time_table); printf ("current_volume = %d \n", current_volume); #endif if (weight_ratio_limit && p < weight_limit) { #ifdef Union_trace_verbal_setting printf ("Weight reduced more than ratio_limit p=%lf, p0=%lf, (p_limit=%lf, limit=%d)\n", p, start_weight, weight_limit, limit); #endif // printf("Weight reduced more than ratio_limit p=%30.28lf, p0=%15.13lf, (p_limit=%15.13lf, scatter=%d)\n", p, start_weight, weight_limit, 100000-limit); ABSORB; } // Calculating intersections with the necessary volumes. The relevant set of volumes depend on the current volume and the mask status array. // First the volumes on the current volumes intersect list is checked, then its mask interset list. Before checking the volume itself, it is // checked if any children of the current volume is intersected, in which case the intersection calculation with the current volume can be // skipped. // Checking intersections for all volumes in the intersect list. for (start = check = Volumes[current_volume]->geometry.intersect_check_list.elements; check - start < Volumes[current_volume]->geometry.intersect_check_list.num_elements; check++) { // This will leave check as a pointer to the intergers in the intersect_check_list and iccrement nicely #ifdef Union_trace_verbal_setting printf ("Intersect_list = %d being checked \n", *check); #endif if (intersection_time_table.calculated[*check] == 0) { #ifdef Union_trace_verbal_setting printf ("running intersection for intersect_list with *check = %d \n", *check); #endif // Calculate intersections using intersect function imbedded in the relevant volume structure using parameters that are also imbedded in the structure. #ifdef Union_trace_verbal_setting printf ("surface_index[*check][0] = %d, surface_index[*check][1] = %d\n", intersection_time_table.surface_index[*check][0], intersection_time_table.surface_index[*check][1]); #endif // GPU Flexible intersect_function call geometry_output = intersect_function (intersection_time_table.intersection_times[*check], intersection_time_table.normal_vector_x[*check], intersection_time_table.normal_vector_y[*check], intersection_time_table.normal_vector_z[*check], intersection_time_table.surface_index[*check], number_of_solutions, r_start, v, &Volumes[*check]->geometry); intersection_time_table.calculated[*check] = 1; #ifdef Union_trace_verbal_setting printf ("finished running intersection for intersect_list with *check = %d \n", *check); print_intersection_table (&intersection_time_table); #endif } } // Mask update: add additional loop for checking intersections with masked volumes depending on mask statuses for (mask_iterator = 0; mask_iterator < Volumes[current_volume]->geometry.mask_intersect_list.num_elements; mask_iterator++) { if (current_mask_intersect_list_status.elements[mask_iterator] == 1) { // Only check if the mask is active #ifdef Union_trace_verbal_setting printf ("Mask Intersect_list = %d being checked \n", Volumes[current_volume]->geometry.mask_intersect_list.elements[mask_iterator]); #endif if (intersection_time_table.calculated[Volumes[current_volume]->geometry.mask_intersect_list.elements[mask_iterator]] == 0) { #ifdef Union_trace_verbal_setting printf ("running intersection for mask_intersect_list element = %d \n", Volumes[current_volume]->geometry.mask_intersect_list.elements[mask_iterator]); // printf("r = (%f,%f,%f) v = (%f,%f,%f) \n",r[0],r[1],r[2],v[0],v[1],v[2]); #endif // Calculate intersections using intersect function imbedded in the relevant volume structure using parameters // that are also imbedded in the structure. // CPU Only // geometry_output = // Volumes[Volumes[current_volume]->geometry.mask_intersect_list.elements[mask_iterator]]->geometry.intersect_function(intersection_time_table.intersection_times[Volumes[current_volume]->geometry.mask_intersect_list.elements[mask_iterator]],number_of_solutions,r_start,v,&Volumes[Volumes[current_volume]->geometry.mask_intersect_list.elements[mask_iterator]]->geometry); // GPU allowed int selected_index; selected_index = Volumes[current_volume]->geometry.mask_intersect_list.elements[mask_iterator]; geometry_output = intersect_function (intersection_time_table.intersection_times[selected_index], intersection_time_table.normal_vector_x[selected_index], intersection_time_table.normal_vector_y[selected_index], intersection_time_table.normal_vector_z[selected_index], intersection_time_table.surface_index[selected_index], number_of_solutions, r_start, v, &Volumes[selected_index]->geometry); intersection_time_table.calculated[Volumes[current_volume]->geometry.mask_intersect_list.elements[mask_iterator]] = 1; // if printf("succesfully calculated intersection times for volume *check = %d \n",*check); } } } // Checking if there are intersections with children of current volume, which means there is an intersection before current_volume, and thus can be skipped. // But only if they have not been overwritten. In case current_volume is 0, there is no need to do this regardless. if (current_volume != 0 && intersection_time_table.calculated[current_volume] == 0) { #ifdef Union_trace_verbal_setting printf ("Checking if children of current_volume = %d have intersections. \n", current_volume); #endif intersection_with_children = 0; // for (start = check = Volumes[current_volume]->geometry.direct_children.elements;check - start < // Volumes[current_volume]->geometry.children.num_elements;check++) { // REVIEW LINE. Caused bug with masks. if (!Volumes[current_volume]->geometry.skip_hierarchy_optimization) { for (start = check = Volumes[current_volume]->geometry.children.elements; check - start < Volumes[current_volume]->geometry.children.num_elements; check++) { #ifdef Union_trace_verbal_setting printf ("Checking if child %d of current_volume = %d have intersections. \n", *check, current_volume); #endif // Only check the first of the two results in the intersection table, as they are ordered, and the second is of no interest if (intersection_time_table.calculated[*check] == 1 && intersection_time_table.intersection_times[*check][0] > time_propagated_without_scattering) { // If this child is masked, its mask status need to be 1 in order to be taken into account if (Volumes[*check]->geometry.is_masked_volume == 0) { #ifdef Union_trace_verbal_setting printf ("Found an child of current_volume with an intersection. Skips calculating for current_volume \n"); #endif intersection_with_children = 1; break; // No need to check more, if there is just one it is not necessary to calculate intersection with current_volume yet } else { #ifdef Union_trace_verbal_setting printf ("Found an child of current_volume with an intersection, but it is masked. Check to see if it can skip calculating for current_volume \n"); #endif if (Volumes[*check]->geometry.mask_mode == 2) { // ANY mask mode tree_next_volume = 0; for (mask_start = mask_check = Volumes[*check]->geometry.masked_by_mask_index_list.elements; mask_check - mask_start < Volumes[*check]->geometry.masked_by_mask_index_list.num_elements; mask_check++) { if (mask_status_list.elements[*mask_check] == 1) { intersection_with_children = 1; break; } } } else { // ALL mask mode intersection_with_children = 1; for (mask_start = mask_check = Volumes[*check]->geometry.masked_by_mask_index_list.elements; mask_check - mask_start < Volumes[*check]->geometry.masked_by_mask_index_list.num_elements; mask_check++) { if (mask_status_list.elements[*mask_check] == 0) { intersection_with_children = 0; break; } } } #ifdef Union_trace_verbal_setting printf ("The mask status was 1, can actually skip intersection calculation for current volume \n"); #endif if (intersection_with_children == 1) break; } } } } #ifdef Union_trace_verbal_setting printf ("intersection_with_children = %d \n", intersection_with_children); #endif if (intersection_with_children == 0) { // GPU Allowed geometry_output = intersect_function (intersection_time_table.intersection_times[current_volume], intersection_time_table.normal_vector_x[current_volume], intersection_time_table.normal_vector_y[current_volume], intersection_time_table.normal_vector_z[current_volume], intersection_time_table.surface_index[current_volume], number_of_solutions, r_start, v, &Volumes[current_volume]->geometry); intersection_time_table.calculated[current_volume] = 1; } } // At this point, intersection_time_table is updated with intersection times of all possible intersections. #ifdef Union_trace_verbal_setting print_intersection_table (&intersection_time_table); #endif // For the closest intersection to volume with index ignore_closest, the scattering with the shortest absolute time should be ignored if (ignore_closest > 0) { min_intersection_time = 1E9; min_solution = -1; for (solution = 0; solution < intersection_time_table.n_elements[ignore_closest]; solution++) { // For a solution to be removed, it must have the same surface index as the ignored surface interaction point if (intersection_time_table.surface_index[ignore_closest][solution] == ignore_surface_index && fabs (intersection_time_table.intersection_times[ignore_closest][solution]) < min_intersection_time) { // if (fabs(intersection_time_table.intersection_times[ignore_closest][solution]) < min_intersection_time) { min_intersection_time = fabs (intersection_time_table.intersection_times[ignore_closest][solution]); min_solution = solution; } } if (min_solution != -1) { // Remove the intersection closest to current point from time table intersection_time_table.intersection_times[ignore_closest][min_solution] = -1; #ifdef Union_trace_verbal_setting printf ("Removed solution nr %d for volume %d with ignore closest\n", min_solution, ignore_closest); print_intersection_table (&intersection_time_table); #endif } } // Next task is to find the next intersection time. The next intersection must be greater than the time_propagated_without_scattering (0 at start of loop) // Loops are eqvialent to the 3 intersection calculation loops already completed // First loop for checking intersect_check_list #ifdef Union_trace_verbal_setting printf ("Incoming value of MIN_intersection_time=%g\n", min_intersection_time); #endif min_intersection_time = 0; time_found = 0; for (start = check = Volumes[current_volume]->geometry.intersect_check_list.elements; check - start < Volumes[current_volume]->geometry.intersect_check_list.num_elements; check++) { for (solution = 0; solution < intersection_time_table.n_elements[*check]; solution++) { if (time_found) { if ((intersection_time = intersection_time_table.intersection_times[*check][solution]) > time_propagated_without_scattering && intersection_time < min_intersection_time) { min_intersection_time = intersection_time; min_solution = solution; min_volume = *check; #ifdef Union_trace_verbal_setting printf ("found A at %i x %i\n", *check, solution); #endif } } else { if ((intersection_time = intersection_time_table.intersection_times[*check][solution]) > time_propagated_without_scattering) { min_intersection_time = intersection_time; min_solution = solution; min_volume = *check; time_found = 1; #ifdef Union_trace_verbal_setting printf ("found B at %i x %i\n", *check, solution); #endif } } } } #ifdef Union_trace_verbal_setting printf ("min_intersection_time=%g min_solution=%i\n", min_intersection_time, min_solution); #endif // Now check the masked_intersect_list, but only the ones that are currently active for (mask_iterator = 0; mask_iterator < Volumes[current_volume]->geometry.mask_intersect_list.num_elements; mask_iterator++) { if (current_mask_intersect_list_status.elements[mask_iterator] == 1) { for (solution = 0; solution < intersection_time_table.n_elements[Volumes[current_volume]->geometry.mask_intersect_list.elements[mask_iterator]]; solution++) { if (time_found) { if ((intersection_time = intersection_time_table.intersection_times[Volumes[current_volume]->geometry.mask_intersect_list.elements[mask_iterator]][solution]) > time_propagated_without_scattering && intersection_time < min_intersection_time) { min_intersection_time = intersection_time; min_solution = solution; min_volume = Volumes[current_volume]->geometry.mask_intersect_list.elements[mask_iterator]; } } else { if ((intersection_time = intersection_time_table.intersection_times[Volumes[current_volume]->geometry.mask_intersect_list.elements[mask_iterator]][solution]) > time_propagated_without_scattering) { min_intersection_time = intersection_time; min_solution = solution; min_volume = Volumes[current_volume]->geometry.mask_intersect_list.elements[mask_iterator]; time_found = 1; } } } } } // And check the current_volume for (solution = 0; solution < intersection_time_table.n_elements[current_volume]; solution++) { if (time_found) { if ((intersection_time = intersection_time_table.intersection_times[current_volume][solution]) > time_propagated_without_scattering && intersection_time < min_intersection_time) { min_intersection_time = intersection_time; min_solution = solution; min_volume = current_volume; } } else { if ((intersection_time = intersection_time_table.intersection_times[current_volume][solution]) > time_propagated_without_scattering) { min_intersection_time = intersection_time; min_solution = solution; min_volume = current_volume; time_found = 1; } } } // Reset ingore_closest after one intersection iteration ignore_closest = -1; #ifdef Union_trace_verbal_setting printf ("min_intersection_time = %f \n", min_intersection_time); printf ("min_solution = %d \n", min_solution); printf ("min_volume = %d \n", min_volume); printf ("time_found = %d \n", time_found); #endif abs_weight_factor = 1.0; abs_weight_factor_set = 0; // If a time is found, propagation continues, and it will be checked if a scattering occurs before the next intersection. // If a time is not found, the ray must be leaving the ensamble of volumes and the loop will be concluded if (time_found) { time_to_boundery = min_intersection_time - time_propagated_without_scattering; // calculate the time remaining before the next intersection scattering_event = 0; // Assume a scattering event will not occur // Check if a scattering event should occur if (current_volume != 0) { // Volume 0 is always vacuum, and if this is the current volume, an event will not occur if (Volumes[current_volume]->p_physics->number_of_processes == 0) { // If there are no processes, the volume could be vacuum or an absorber if (Volumes[current_volume]->p_physics->is_vacuum == 0) { // This volume does not have physical processes but does have an absorption cross section, so the ray weight is reduced accordingly my_sum_plus_abs = Volumes[current_volume]->p_physics->my_a * (2200 / v_length); length_to_boundary = time_to_boundery * v_length; abs_weight_factor = exp (-Volumes[current_volume]->p_physics->my_a * 2200 * time_to_boundery); abs_weight_factor_set = 1; #ifdef Union_trace_verbal_setting printf ("name of material: %s \n", Volumes[current_volume]->name); printf ("length to boundery = %f\n", length_to_boundary); printf ("absorption cross section = %f\n", Volumes[current_volume]->p_physics->my_a); printf ("chance to get through this length of absorber: %f %%\n", 100 * exp (-Volumes[current_volume]->p_physics->my_a * length_to_boundary)); #endif } } else { // Since there is a non-zero number of processes in this material, all the scattering cross section for these are calculated my_sum = 0; k[0] = V2K * vx; k[1] = V2K * vy; k[2] = V2K * vz; p_my_trace = my_trace; wavevector = coords_set (k[0], k[1], k[2]); length_to_boundary = time_to_boundery * v_length; double forced_length_to_scattering; Coords ray_position_geometry; // If any process in this material needs focusing, sample scattering position and update focus_data accordingly if (Volumes[current_volume]->p_physics->any_process_needs_cross_section_focus == 1) { // Sample length_to_scattering in linear manner forced_length_to_scattering = safety_distance + rand01 () * (length_to_boundary - safety_distance2); ray_velocity = coords_set (vx, vy, vz); // Test for root cause // Find location of scattering point in master coordinate system without changing main position / velocity variables Coords direction = coords_scalar_mult (ray_velocity, 1.0 / length_of_position_vector (ray_velocity)); Coords scattering_displacement = coords_scalar_mult (direction, forced_length_to_scattering); Coords forced_ray_scattering_point = coords_add (ray_position, scattering_displacement); ray_position_geometry = coords_sub (forced_ray_scattering_point, Volumes[current_volume]->geometry.center); // ray_position relative to geometry center // Calculate the aim for non isotropic processes this_focus_data = &Volumes[current_volume]->geometry.focus_data_array.elements[0]; this_focus_data->RayAim = coords_sub (this_focus_data->Aim, ray_position_geometry); // Aim vector for this ray #ifdef Union_trace_verbal_setting printf ("Prepared for focus in cross section calculation in volume: %s \n", Volumes[current_volume]->name); printf ("forced_length_to_scattering =%lf \n", forced_length_to_scattering); print_position (ray_position, "ray_position"); print_position (direction, "direction"); print_position (scattering_displacement, "scattering_displacement"); print_position (forced_ray_scattering_point, "forced_ray_scattering_point"); print_position (ray_position_geometry, "ray_position_geometry"); printf ("for isotropic processes this RayAim is used \n"); print_position (this_focus_data->RayAim, "this_focus_data->RayAim"); #endif /* // update focus data for this ray (could limit this to only update the necessary focus_data element, but there are typically very few) int f_index; for (f_index=0; f_index < Volumes[current_volume]->geometry.focus_data_array.num_elements; f_index++) { this_focus_data = &Volumes[current_volume]->geometry.focus_data_array.elements[f_index]; // Coords ray_position_geometry_rotated = rot_apply(this_focus_data.absolute_rotation, ray_position_geometry); this_focus_data->RayAim = coords_sub(this_focus_data->Aim, ray_position_geometry); // Aim vector for this ray } printf("calculated forced_length_to_scattering = %lf, new RayAim \n", forced_length_to_scattering); print_position(direction, "direction"); print_position(scattering_displacement, "scattering_displacement"); print_position(forced_ray_scattering_point, "forced_ray_scattering_point"); print_position(ray_position_geometry, "ray_position_geometry"); print_position(this_focus_data->RayAim, "this_focus_data->RayAim"); */ } else { forced_length_to_scattering = -1.0; // Signals that no forcing needed, could also if on the selected process struct } int p_index; for (p_index = 0; p_index < Volumes[current_volume]->p_physics->number_of_processes; p_index++) { // GPU // Find correct focus_data_array index for this volume/process focus_data_index = Volumes[current_volume]->geometry.focus_array_indices.elements[p_index]; this_focus_data = &Volumes[current_volume]->geometry.focus_data_array.elements[focus_data_index]; if (Volumes[current_volume]->p_physics->p_scattering_array[p_index].non_isotropic_rot_index != -1) { // If the process is not isotropic, the wavevector is transformed into the local coordinate system of the process int non_isotropic_rot_index = Volumes[current_volume]->p_physics->p_scattering_array[p_index].non_isotropic_rot_index; wavevector_rotated = rot_apply (Volumes[current_volume]->geometry.process_rot_matrix_array[non_isotropic_rot_index], wavevector); coords_get (wavevector_rotated, &k_rotated[0], &k_rotated[1], &k_rotated[2]); if (Volumes[current_volume]->p_physics->p_scattering_array[p_index].needs_cross_section_focus == 1) { // Prepare focus data using ray_position_geometry of forced scattering point which will be prepared if any process needs cross_section time // focusing Coords ray_position_geometry_rotated = rot_apply (Volumes[current_volume]->geometry.process_rot_matrix_array[non_isotropic_rot_index], ray_position_geometry); this_focus_data->RayAim = coords_sub (this_focus_data->Aim, ray_position_geometry_rotated); // Aim vector for this ray #ifdef Union_trace_verbal_setting printf ("Checking process number : %d, it was not isotropic, so RayAim updated \n", p_index); print_position (ray_position_geometry, "ray_position_geometry"); print_position (ray_position_geometry_rotated, "ray_position_geometry_rotated"); print_position (this_focus_data->RayAim, "this_focus_data->RayAim"); #endif } } else { k_rotated[0] = k[0]; k_rotated[1] = k[1]; k_rotated[2] = k[2]; // focus_data RayAim already updated for non isotropic processes } // Call the probability for scattering function assighed to this specific procress (the process pointer is updated in the for loop) process = &Volumes[current_volume]->p_physics->p_scattering_array[p_index]; // GPU Allowed int physics_output; physics_output = physics_my (process->eProcess, p_my_trace, k_rotated, process->data_transfer, this_focus_data, _particle); my_sum += *p_my_trace; #ifdef Union_trace_verbal_setting printf ("my_trace = %f, my_sum = %f\n", *p_my_trace, my_sum); #endif // increment the pointers so that it point to the next element (max number of process in any material is allocated) p_my_trace++; } #ifdef Union_trace_verbal_setting printf ("time_propagated_without_scattering = %f.\n", time_propagated_without_scattering); printf ("v_length = %f.\n", v_length); printf ("exp(- length_to_boundary*my_sum) = %f. length_to_boundary = %f. my_sum = %f.\n", exp (-length_to_boundary * my_sum), length_to_boundary, my_sum); #endif my_sum_plus_abs = my_sum + Volumes[current_volume]->p_physics->my_a * (2200 / v_length); // New flow:length_to_boundary // Calculate if scattering happens based on my_sub_plus_abs if (my_sum < 1E-18) { scattering_event = 0; } else if (length_to_boundary < safety_distance2) { scattering_event = 0; } else { real_transmission_probability = exp (-length_to_boundary * my_sum_plus_abs); if (Volumes[current_volume]->geometry.geometry_p_interact != 0) { mc_transmission_probability = (1.0 - Volumes[current_volume]->geometry.geometry_p_interact); if ((scattering_event = (rand01 () > mc_transmission_probability))) { // Scattering event happens, this is the correction for the weight p *= (1.0 - real_transmission_probability) / (1.0 - mc_transmission_probability); } else { // Scattering event does not happen, this is the appropriate correction p *= real_transmission_probability / mc_transmission_probability; } } else { // probability to scatter is the natural value scattering_event = rand01 () > real_transmission_probability; } } // If scattering happens if (scattering_event == 1) { // Select scattering process // Adjust weight for absorption abs_weight_factor *= my_sum / my_sum_plus_abs; abs_weight_factor_set = 1; // Safety feature, alert in case of nonsense my results / negative absorption if (my_sum / my_sum_plus_abs > 1.0) printf ("WARNING: Absorption weight factor above 1! Should not happen! \n"); // Select process if (Volumes[current_volume]->p_physics->number_of_processes == 1) { // trivial case // Select the only available process, which will always have index 0 selected_process = 0; } else { if (Volumes[current_volume]->p_physics->interact_control == 1) { // Interact_fraction is used to influence the choice of process in this material mc_prop = rand01 (); culmative_probability = 0; total_process_interact = 1.0; // If any of the processes have probability 0, they are excluded from the selection for (iterator = 0; iterator < Volumes[current_volume]->p_physics->number_of_processes; iterator++) { if (my_trace[iterator] < 1E-18) { // When this happens, the total force probability is corrected and the probability for this particular instance is set to 0 total_process_interact -= Volumes[current_volume]->p_physics->p_scattering_array[iterator].process_p_interact; my_trace_fraction_control[iterator] = 0; // In cases where my_trace is not zero, the forced fraction is still used. } else my_trace_fraction_control[iterator] = Volumes[current_volume]->p_physics->p_scattering_array[iterator].process_p_interact; } // Randomly select a process using the weights stored in my_trace_fraction_control divided by total_process_interact for (iterator = 0; iterator < Volumes[current_volume]->p_physics->number_of_processes; iterator++) { culmative_probability += my_trace_fraction_control[iterator] / total_process_interact; if (culmative_probability > mc_prop) { selected_process = iterator; p *= (my_trace[iterator] / my_sum) * (total_process_interact / my_trace_fraction_control[iterator]); break; } } } else { // Select a process based on their relative attenuations factors mc_prop = rand01 (); culmative_probability = 0; for (iterator = 0; iterator < Volumes[current_volume]->p_physics->number_of_processes; iterator++) { culmative_probability += my_trace[iterator] / my_sum; if (culmative_probability > mc_prop) { selected_process = iterator; break; } } } } // Select distance to scattering position if (Volumes[current_volume]->p_physics->p_scattering_array[selected_process].needs_cross_section_focus == 1) { // Respect forced length to scattering chosen by process length_to_scattering = forced_length_to_scattering; // Drawing between 0 and L from constant s = 1/L and should have been q = A*exp(-kz). // Normalizing A*exp(-kz) over 0 to L: A = k/(1-exp(-k*L)) // Weight correction is ratio between s and q, L*A*exp(-kz) = L*k*exp(-kz)/(1-exp(-Lk)) p *= length_to_boundary * my_sum_plus_abs * exp (-length_to_scattering * my_sum_plus_abs) / (1.0 - exp (-length_to_boundary * my_sum_plus_abs)); #ifdef Union_trace_verbal_setting printf ("Used forced length to scattering, %lf \n", length_to_scattering); #endif } else { // Decided the ray scatters, choose where on truncated exponential from safety_distance to length_to_boundary - safety_distance length_to_scattering = safety_distance - log (1.0 - rand0max ((1.0 - exp (-my_sum_plus_abs * (length_to_boundary - safety_distance2))))) / my_sum_plus_abs; #ifdef Union_trace_verbal_setting printf ("Sampled length to scattering, %lf \n", length_to_scattering); #endif } } // Done handling scattering } // Done handling situation where there are scattering processes in the material } // Done checking for scttering event and in case of scattering selecting a process // Record initial weight, absorption weight factor and initial position initial_weight = p; r_old[0] = r[0]; r_old[1] = r[1]; r_old[2] = r[2]; time_old = t; // Apply absorption p *= abs_weight_factor; // Create event for absorption loggers // Need to use start position and length travelled to sample that trajectory for absorption event. Could do several, here just one. // min length: 0, max length: length_to_scattering if scattering, else length to boundary // Avoid logging absorption when the ray is in vacuum. if (current_volume != 0 && abs_weight_factor_set == 1) { // Volume 0 is always vacuum, and if this is the current volume, an event will not occur if (Volumes[current_volume]->p_physics->is_vacuum == 0) { // No absorption in vacuum if (scattering_event == 1) { // When scattering events occur, place the absoprtion the same place (the total cross section is used to place it) abs_distance = length_to_scattering; } else { // When the ray exits a volume, the absorption position should be exponentially distributed using the total cross section my_abs = Volumes[current_volume]->p_physics->my_a * (2200 / v_length); abs_distance = -log (1.0 - rand0max (1.0 - exp (-my_sum_plus_abs * length_to_boundary))) / my_sum_plus_abs; } t_abs_propagation = abs_distance / v_length; abs_position = coords_set (x + t_abs_propagation * vx, y + t_abs_propagation * vy, z + t_abs_propagation * vz); // This info needs to be loaded into the absorption loggers // Need to run through relevant absorption loggers here #ifdef Union_trace_verbal_setting printf ("Running abs_logger system for specific volumes \n"); #endif // Logging for detector components assosiated with this volume for (log_index = 0; log_index < Volumes[current_volume]->abs_loggers.num_elements; log_index++) { // Make transformation according to the individual position of the abs_logger? This would require position / rotation for all abs_loggers transformed_abs_position = coords_sub (abs_position, Volumes[current_volume]->abs_loggers.p_abs_logger[log_index]->position); transformed_abs_position = rot_apply (Volumes[current_volume]->abs_loggers.p_abs_logger[log_index]->rotation, transformed_abs_position); // This function calls a logger function which in turn stores some data among the passed, and possibly performs some basic data analysis Volumes[current_volume]->abs_loggers.p_abs_logger[log_index]->function_pointers.active_record_function ( &transformed_abs_position, k_new, initial_weight * (1.0 - abs_weight_factor), t + t_abs_propagation, scattered_flag[current_volume], number_of_scattering_events, Volumes[current_volume]->abs_loggers.p_abs_logger[log_index], &abs_loggers_with_data_array); // If the logging component have a conditional attatched, the collected data will be written to a temporary place // At the end of the rays life, it will be checked if the condition is met // if it is met, the temporary data is transfered to permanent, and temp is cleared. // if it is not met, the temporary data is cleared. } #ifdef Union_trace_verbal_setting printf ("Running abs_logger system for all volumes \n"); #endif for (log_index = 0; log_index < global_all_volume_abs_logger_list_master->num_elements; log_index++) { // As above, but on a global scale, meaning scattering in all volumes are logged // Problems with VN, PV, as there is no assosiated volume or process. The functions however need to have the same input to make the logger components // general. Could be interesting to have a monitor that just globally measurres the second scattering event in any volume (must be two in the same). // Weird but not meaningless. // Make transformation according to the individual position of the abs_logger? This would require position / rotation for all abs_loggers transformed_abs_position = coords_sub (abs_position, global_all_volume_abs_logger_list_master->elements[log_index].abs_logger->position); transformed_abs_position = rot_apply (global_all_volume_abs_logger_list_master->elements[log_index].abs_logger->rotation, transformed_abs_position); // Above version includes scattered_flag_VP, but selected_process may be undefined at this point. global_all_volume_abs_logger_list_master->elements[log_index].abs_logger->function_pointers.active_record_function ( &transformed_abs_position, k_new, initial_weight * (1.0 - abs_weight_factor), t + t_abs_propagation, scattered_flag[current_volume], number_of_scattering_events, global_all_volume_abs_logger_list_master->elements[log_index].abs_logger, &abs_loggers_with_data_array); } } } if (scattering_event == 1) { #ifdef Union_trace_verbal_setting printf ("SCATTERING EVENT \n"); printf ("current_volume = %d \n", current_volume); printf ("r = (%f,%f,%f) v = (%f,%f,%f) \n", r[0], r[1], r[2], v[0], v[1], v[2]); #endif // Calculate the time to scattering time_to_scattering = length_to_scattering / v_length; #ifdef Union_trace_verbal_setting printf ("time to scattering = %2.20f \n", time_to_scattering); printf ("length to boundery = %f, length to scattering = %f \n", length_to_boundary, length_to_scattering); #endif // May be replace by version without gravity // PROP_DT(time_to_scattering); // Reduce the double book keeping done here x += time_to_scattering * vx; y += time_to_scattering * vy; z += time_to_scattering * vz; t += time_to_scattering; r_start[0] = x; r_start[1] = y; r_start[2] = z; r[0] = x; r[1] = y; r[2] = z; ray_position = coords_set (x, y, z); ray_velocity = coords_set (vx, vy, vz); // Safe check that should be unecessary. Used to fine tune how close to the edge of a volume a scattering event is allowed to take place (1E-14 m away // currently). if (r_within_function (ray_position, &Volumes[current_volume]->geometry) == 0) { printf ("\nERROR, propagated out of current volume instead of to a point within!\n"); printf ("length_to_scattering_specified = %2.20f\n length propagated = %2.20f\n length_to_boundary = %2.20f \n " "current_position = (%lf,%lf,%lf) \n", length_to_scattering, sqrt (time_to_scattering * time_to_scattering * vx * vx + time_to_scattering * time_to_scattering * vy * vy + time_to_scattering * time_to_scattering * vz * vz), length_to_boundary, x, y, z); volume_index = within_which_volume_GPU (ray_position, starting_lists.reduced_start_list, starting_lists.starting_destinations_list, Volumes, &mask_status_list, number_of_volumes, pre_allocated1, pre_allocated2, pre_allocated3); printf ("Debug info: Volumes[current_volume]->name = %s, but now inside volume number %d named %s.\n", Volumes[current_volume]->name, volume_index, Volumes[volume_index]->name); printf ("Ray absorbed \n"); ABSORB; } // Save information before scattering event needed in logging section p_old = p; k_old[0] = k[0]; k_old[1] = k[1]; k_old[2] = k[2]; // Find correct focus_data_array index for this volume/process and correct for ray position focus_data_index = Volumes[current_volume]->geometry.focus_array_indices.elements[selected_process]; this_focus_data = &Volumes[current_volume]->geometry.focus_data_array.elements[focus_data_index]; Coords ray_position_geometry = coords_sub (ray_position, Volumes[current_volume]->geometry.center); // ray_position relative to geometry center this_focus_data->RayAim = coords_sub (this_focus_data->Aim, ray_position_geometry); // Aim vector for this ray // Rotation to local process coordinate system (for non isotropic processes) if (Volumes[current_volume]->p_physics->p_scattering_array[selected_process].non_isotropic_rot_index != -1) { ray_velocity_rotated = rot_apply ( Volumes[current_volume] ->geometry.process_rot_matrix_array[Volumes[current_volume]->p_physics->p_scattering_array[selected_process].non_isotropic_rot_index], ray_velocity); Coords ray_position_geometry_rotated = rot_apply ( Volumes[current_volume] ->geometry.process_rot_matrix_array[Volumes[current_volume]->p_physics->p_scattering_array[selected_process].non_isotropic_rot_index], ray_position_geometry); this_focus_data->RayAim = coords_sub (this_focus_data->Aim, ray_position_geometry_rotated); // Aim vector for this ray } else { ray_velocity_rotated = ray_velocity; this_focus_data->RayAim = coords_sub (this_focus_data->Aim, ray_position_geometry); // Aim vector for this ray } #ifdef Union_trace_verbal_setting printf ("Kin: %g %g %g, selected_process: %i %i\n", k[0], k[1], k[2], selected_process, current_volume); coords_print (Volumes[current_volume]->geometry.focus_data_array.elements[0].Aim); #endif // test_physics_scattering(double *k_final, double *k_initial, union data_transfer_union data_transfer) { coords_get (coords_scalar_mult (ray_velocity_rotated, V2K), &k[0], &k[1], &k[2]); // I may replace a intial and final k with one instance that serves as both input and output process = &Volumes[current_volume]->p_physics->p_scattering_array[selected_process]; // CPU Only if (0 == physics_scattering (process->eProcess, k_new, k, &p, process->data_transfer, this_focus_data, _particle)) { /* // PowderN and Single_crystal requires the option of absorbing the neutron, which is weird. If there is a scattering probability, there should be a new direction. // It can arise from need to simplify sampling process and end up in cases where weight factor is 0, and the ray should be absorbed in these cases printf("ERROR: Union_master: %s.Absorbed ray because scattering function returned 0 (error/absorb)\n",NAME_CURRENT_COMP); component_error_msg++; if (component_error_msg > 100) { printf("To many errors encountered, exiting. \n"); exit(1); } */ ABSORB; } #ifdef Union_trace_verbal_setting printf ("Kout: %g %g %g\n", k_new[0], k_new[1], k_new[2]); #endif // Update velocity using k ray_velocity_rotated = coords_set (K2V * k_new[0], K2V * k_new[1], K2V * k_new[2]); // Transformation back to main coordinate system (maybe one should only do this when multiple scattering in that volume was over, especially if there is // only one non isotropic frame) if (Volumes[current_volume]->p_physics->p_scattering_array[selected_process].non_isotropic_rot_index != -1) { ray_velocity_final = rot_apply ( Volumes[current_volume] ->geometry.transpose_process_rot_matrix_array[Volumes[current_volume]->p_physics->p_scattering_array[selected_process].non_isotropic_rot_index], ray_velocity_rotated); } else { ray_velocity_final = ray_velocity_rotated; } #ifdef Union_trace_verbal_setting printf ("Final velocity vector "); coords_print (ray_velocity_final); #endif // Write velocity to global variable (temp, only really necessary at final) coords_get (ray_velocity_final, &vx, &vy, &vz); // Write velocity in array format as it is still used by intersect functions (temp, they need to be updated to ray_position / ray_velocity) v[0] = vx; v[1] = vy; v[2] = vz; v_length = sqrt (vx * vx + vy * vy + vz * vz); k_new[0] = V2K * vx; k_new[1] = V2K * vy; k_new[2] = V2K * vz; if (verbal) if (v_length < 1) printf ("velocity set to less than 1\n"); ray_velocity = coords_set (vx, vy, vz); #ifdef Union_trace_verbal_setting printf ("Running logger system for specific volumes \n"); #endif // Logging for detector components assosiated with this volume for (log_index = 0; log_index < Volumes[current_volume]->loggers.num_elements; log_index++) { if (Volumes[current_volume]->loggers.p_logger_volume[log_index].p_logger_process[selected_process] != NULL) { // Technically the scattering function could edit k, the wavevector before the scattering, even though there would be little point to doing that. // Could save a secure copy and pass that instead to be certain that no scattering process accidently tampers with the logging. // This function calls a logger function which in turn stores some data among the passed, and possibly performs some basic data analysis Volumes[current_volume]->loggers.p_logger_volume[log_index].p_logger_process[selected_process]->function_pointers.active_record_function ( &ray_position, k_new, k_old, p, p_old, t, scattered_flag[current_volume], scattered_flag_VP[current_volume][selected_process], number_of_scattering_events, Volumes[current_volume]->loggers.p_logger_volume[log_index].p_logger_process[selected_process], &loggers_with_data_array); // If the logging component have a conditional attatched, the collected data will be written to a temporary place // At the end of the rays life, it will be checked if the condition is met // if it is met, the temporary data is transfered to permanent, and temp is cleared. // if it is not met, the temporary data is cleared. } } #ifdef Union_trace_verbal_setting printf ("Running logger system for all volumes \n"); #endif for (log_index = 0; log_index < global_all_volume_logger_list_master->num_elements; log_index++) { // As above, but on a global scale, meaning scattering in all volumes are logged // Problems with VN, PV, as there is no assosiated volume or process. The functions however need to have the same input to make the logger components // general. Could be interesting to have a monitor that just globally measurres the second scattering event in any volume (must be two in the same). // Weird but not meaningless. global_all_volume_logger_list_master->elements[log_index].logger->function_pointers.active_record_function ( &ray_position, k_new, k_old, p, p_old, t, scattered_flag[current_volume], scattered_flag_VP[current_volume][selected_process], number_of_scattering_events, global_all_volume_logger_list_master->elements[log_index].logger, &loggers_with_data_array); } #ifdef Union_trace_verbal_setting printf ("Outgoing event: %g %g %g // %g %g %g\n", x, y, z, vx, vy, vz); #endif SCATTER; ++number_of_scattering_events; ++scattered_flag[current_volume]; ++scattered_flag_VP[current_volume][selected_process]; // Clear intersection time lists as the direction of the ray has changed clear_intersection_table (&intersection_time_table); time_propagated_without_scattering = 0.0; #ifdef Union_trace_verbal_setting printf ("SCATTERED SUCSSESFULLY \n"); printf ("r = (%f,%f,%f) v = (%f,%f,%f) \n", x, y, z, vx, vy, vz); if (enable_tagging && stop_tagging_ray == 0) printf ("Before new process node: current_tagging_node->intensity = %f\n", current_tagging_node->intensity); if (enable_tagging && stop_tagging_ray == 0) printf ("Before new process node: current_tagging_node->number_of_rays = %d\n", current_tagging_node->number_of_rays); #endif if (enable_tagging && stop_tagging_ray == 0) current_tagging_node = goto_process_node (current_tagging_node, selected_process, Volumes[current_volume], &stop_tagging_ray, stop_creating_nodes); #ifdef Union_trace_verbal_setting if (enable_tagging && stop_tagging_ray == 0) printf ("After new process node: current_tagging_node->intensity = %f\n", current_tagging_node->intensity); if (enable_tagging && stop_tagging_ray == 0) printf ("After new process node: current_tagging_node->number_of_rays = %d\n", current_tagging_node->number_of_rays); #endif } else { previous_volume = current_volume; // Record the current volume as previous, as this will change in this branch of the code #ifdef Union_trace_verbal_setting printf ("Propagate out of volume %d\n", current_volume); printf ("r = (%f,%f,%f) v = (%f,%f,%f) \n", x, y, z, vx, vy, vz); #endif // Propagate neutron to found minimum time // PROP_DT(time_to_boundery); x += time_to_boundery * vx; y += time_to_boundery * vy; z += time_to_boundery * vz; t += time_to_boundery; r[0] = x; r[1] = y; r[2] = z; ray_position = coords_set (x, y, z); ray_velocity = coords_set (vx, vy, vz); time_propagated_without_scattering = min_intersection_time; SCATTER; // For debugging purposes #ifdef Union_trace_verbal_setting printf ("r = (%f,%f,%f) v = (%f,%f,%f) \n", x, y, z, vx, vy, vz); #endif // Remove this entry from the intersection_time_table intersection_time_table.intersection_times[min_volume][min_solution] = -1; // Use destination list for corresponding intersection entry n,i) to find next volume #ifdef Union_trace_verbal_setting printf ("PROPAGATION FROM VOLUME %d \n", current_volume); #endif if (min_volume == current_volume) { #ifdef Union_trace_verbal_setting printf ("min_volume == current_volume \n"); #endif // List approach to finding the next volume. // When the ray intersects the current volume, the next volume must be on the destination list of the current volume // However, the reduced_destination_list can be investigated first, and depending on the results, the // direct children of the volumes on the reduced destination list are investigated. // In the worst case, all direct children are investigated, which is eqvivalent to the entire destination list. // There is however a certain overhead in the logic needed to set up this tree, avoid duplicates of direct children, and so on. // This method is only faster than just checking the destination list when there are direct children (nested structures), // but in general the tree method scales better with complexity, and is only slightly slower in simple cases. if (Volumes[current_volume]->geometry.destinations_list.num_elements == 1) tree_next_volume = Volumes[current_volume]->geometry.destinations_list.elements[0]; else { ray_position = coords_set (x, y, z); ray_velocity = coords_set (vx, vy, vz); tree_next_volume = within_which_volume_GPU (ray_position, Volumes[current_volume]->geometry.reduced_destinations_list, Volumes[current_volume]->geometry.destinations_list, Volumes, &mask_status_list, number_of_volumes, pre_allocated1, pre_allocated2, pre_allocated3); } #ifdef Union_trace_verbal_setting if (enable_tagging) printf ("tree method moves from %d to %d\n", current_volume, tree_next_volume); if (enable_tagging && stop_tagging_ray == 0) printf ("Before new tree volume node: current_tagging_node->intensity = %f\n", current_tagging_node->intensity); if (enable_tagging && stop_tagging_ray == 0) printf ("Before new tree volume node: current_tagging_node->number_of_rays = %d\n", current_tagging_node->number_of_rays); #endif if (enable_tagging && stop_tagging_ray == 0) current_tagging_node = goto_volume_node (current_tagging_node, current_volume, tree_next_volume, Volumes, &stop_tagging_ray, stop_creating_nodes); #ifdef Union_trace_verbal_setting if (enable_tagging && stop_tagging_ray == 0) printf ("After new tree volume node: current_tagging_node->intensity = %f\n", current_tagging_node->intensity); if (enable_tagging && stop_tagging_ray == 0) printf ("After new tree volume node: current_tagging_node->number_of_rays = %d\n", current_tagging_node->number_of_rays); #endif // Set next volume to the solution found in the tree method current_volume = tree_next_volume; update_current_mask_intersect_status (¤t_mask_intersect_list_status, &mask_status_list, Volumes, ¤t_volume); #ifdef Union_trace_verbal_setting print_1d_int_list (current_mask_intersect_list_status, "Updated current_mask_intersect_list_status"); #endif } else { #ifdef Union_trace_verbal_setting if (enable_tagging && stop_tagging_ray == 0) printf ("Before new intersection volume node: current_tagging_node->intensity = %f\n", current_tagging_node->intensity); if (enable_tagging && stop_tagging_ray == 0) printf ("Before new intersection volume node: current_tagging_node->number_of_rays = %d\n", current_tagging_node->number_of_rays); #endif // Mask update: If the min_volume is not a mask, things are simple, current_volume = min_volume. // however, if it is a mask, the mask status will switch. // if the mask status becomes one, the masked volumes inside may be the next volume (unless they are children of the mask) // if the mask status becomes zero (and the current volume is masked by min_volume), the destinations list of the mask is searched // if the mask status becomes zero (and the current volume is NOT masked by min volume), the current volume doesn't change if (Volumes[min_volume]->geometry.is_mask_volume == 0) { #ifdef Union_trace_verbal_setting printf ("Min volume is not a mask, next volume = min volume\n"); #endif if (enable_tagging && stop_tagging_ray == 0) { current_tagging_node = goto_volume_node (current_tagging_node, current_volume, min_volume, Volumes, &stop_tagging_ray, stop_creating_nodes); } current_volume = min_volume; } else { #ifdef Union_trace_verbal_setting printf ("Current volume is not a mask, complex decision tree\n"); #endif if (mask_status_list.elements[Volumes[min_volume]->geometry.mask_index] == 1) { // We are leaving the mask, change the status #ifdef Union_trace_verbal_setting printf ("mask status changed from 1 to 0 as a mask is left\n"); #endif mask_status_list.elements[Volumes[min_volume]->geometry.mask_index] = 0; // If the current volume is masked by this mask, run within_which_volume using the masks destination list, otherwise keep the current volume if (on_int_list (Volumes[current_volume]->geometry.masked_by_list, min_volume) == 1) { #ifdef Union_trace_verbal_setting printf ("The current volume was masked by this mask, and my need updating\n"); #endif // In case of ANY mode, need to see if another mask on the masked_by list of the current volume is active, and if so, nothing happens need_to_run_within_which_volume = 1; if (Volumes[current_volume]->geometry.mask_mode == 2) { for (mask_start = mask_check = Volumes[current_volume]->geometry.masked_by_mask_index_list.elements; mask_check - mask_start < Volumes[current_volume]->geometry.masked_by_mask_index_list.num_elements; mask_check++) { if (mask_status_list.elements[*mask_check] == 1) { // Nothing needs to be done, the effective mask status of the current volume is still 1 need_to_run_within_which_volume = 0; break; } } } if (need_to_run_within_which_volume == 1) { #ifdef Union_trace_verbal_setting printf ("The current volume was masked by this mask, and does need updating\n"); #endif if (Volumes[min_volume]->geometry.destinations_list.num_elements == 1) { #ifdef Union_trace_verbal_setting printf ("Only one element in the destination tree of the mask\n"); #endif // If there is only one element on the destinations list (quite common) there is no reason to run within_which_volume // Instead the mask status is calculated here if (Volumes[Volumes[min_volume]->geometry.destinations_list.elements[0]]->geometry.is_masked_volume == 1) { #ifdef Union_trace_verbal_setting printf ("The one element is however masked, so the mask status need to be calculated\n"); #endif // figure out the effective mask status of this volume if (Volumes[Volumes[min_volume]->geometry.destinations_list.elements[0]]->geometry.mask_mode == 2) { // ANY mask mode tree_next_volume = 0; for (mask_start = mask_check = Volumes[Volumes[min_volume]->geometry.destinations_list.elements[0]]->geometry.masked_by_mask_index_list.elements; mask_check - mask_start < Volumes[Volumes[min_volume]->geometry.destinations_list.elements[0]]->geometry.masked_by_mask_index_list.num_elements; mask_check++) { if (mask_status_list.elements[*mask_check] == 1) { tree_next_volume = Volumes[min_volume]->geometry.destinations_list.elements[0]; break; } } } else { // ALL mask mode tree_next_volume = Volumes[min_volume]->geometry.destinations_list.elements[0]; for (mask_start = mask_check = Volumes[Volumes[min_volume]->geometry.destinations_list.elements[0]]->geometry.masked_by_mask_index_list.elements; mask_check - mask_start < Volumes[Volumes[min_volume]->geometry.destinations_list.elements[0]]->geometry.masked_by_mask_index_list.num_elements; mask_check++) { if (mask_status_list.elements[*mask_check] == 0) { tree_next_volume = 0; break; } } } } else tree_next_volume = Volumes[min_volume]->geometry.destinations_list.elements[0]; #ifdef Union_trace_verbal_setting printf ("The method found the next tree volume to be %d\n", tree_next_volume); #endif if (enable_tagging && stop_tagging_ray == 0) current_tagging_node = goto_volume_node (current_tagging_node, current_volume, tree_next_volume, Volumes, &stop_tagging_ray, stop_creating_nodes); current_volume = tree_next_volume; } else { #ifdef Union_trace_verbal_setting printf ("Many elements in destinations list, use within_which_volume\n"); #endif ray_position = coords_set (x, y, z); ray_velocity = coords_set (vx, vy, vz); tree_next_volume = within_which_volume_GPU (ray_position, Volumes[min_volume]->geometry.reduced_destinations_list, Volumes[min_volume]->geometry.destinations_list, Volumes, &mask_status_list, number_of_volumes, pre_allocated1, pre_allocated2, pre_allocated3); if (enable_tagging && stop_tagging_ray == 0) current_tagging_node = goto_volume_node (current_tagging_node, current_volume, tree_next_volume, Volumes, &stop_tagging_ray, stop_creating_nodes); current_volume = tree_next_volume; #ifdef Union_trace_verbal_setting printf ("Set new new volume to %d\n", tree_next_volume); #endif } } else { #ifdef Union_trace_verbal_setting printf ("Did not need updating, as another mask was covering the volume\n"); #endif } } } else { // Here beccause the mask status of the mask that is intersected was 0, and it is thus switched to 1 mask_status_list.elements[Volumes[min_volume]->geometry.mask_index] = 1; // When entering a mask, the new highest priority volume may be one of the masked volumes, if not we keep the current volume ray_position = coords_set (x, y, z); ray_velocity = coords_set (vx, vy, vz); // Bug found on the 2/9 2016, the destinations_list of a mask does not contain the volumes inside it. Could make an additional list for this. // The temporary fix will be to use the mask list for both reduced destinations list and destinations list. tree_next_volume = within_which_volume_GPU (ray_position, Volumes[min_volume]->geometry.mask_list, Volumes[min_volume]->geometry.mask_list, Volumes, &mask_status_list, number_of_volumes, pre_allocated1, pre_allocated2, pre_allocated3); // if within_which_volume returns 0, no result was found (volume 0 can not be masked, so it could not be on the mask list) if (tree_next_volume != 0) { if (Volumes[tree_next_volume]->geometry.priority_value > Volumes[current_volume]->geometry.priority_value) { // In case the current volume has a higher priority, nothing happens, otherwise change current volume if (enable_tagging && stop_tagging_ray == 0) current_tagging_node = goto_volume_node (current_tagging_node, current_volume, tree_next_volume, Volumes, &stop_tagging_ray, stop_creating_nodes); current_volume = tree_next_volume; } } } } // Regardless of the outcome of the above code, either the mask status or current volume have changed, and thus a effective mask update is needed. update_current_mask_intersect_status (¤t_mask_intersect_list_status, &mask_status_list, Volumes, ¤t_volume); #ifdef Union_trace_verbal_setting print_1d_int_list (mask_status_list, "Updated mask status list"); print_1d_int_list (current_mask_intersect_list_status, "Updated current_mask_intersect_list_status"); if (enable_tagging) printf ("After new intersection volume node: current_tagging_node->intensity = %f\n", current_tagging_node->intensity); if (enable_tagging) printf ("After new intersection volume node: current_tagging_node->number_of_rays = %d\n", current_tagging_node->number_of_rays); #endif } #ifdef Union_trace_verbal_setting printf (" TO VOLUME %d \n", current_volume); #endif double n1, n2; int perform_refraction = 1; double nx; double ny; double nz; double normal_vector[3]; if (previous_volume != current_volume) { // With masks, it can happen that the ray takes an extra iteration within the same volume, can skip surface / refraction double surface_wavevector_before[3]; double surface_wavevector[3]; nx = intersection_time_table.normal_vector_x[min_volume][min_solution]; ny = intersection_time_table.normal_vector_y[min_volume][min_solution]; nz = intersection_time_table.normal_vector_z[min_volume][min_solution]; NORM (nx, ny, nz); // loop over surface processes // Need face index of both the geometry the ray is leaving and entering, only one from scattering // List of surfaces from geometry ray is leaving, bottom to top (length n_leaving) int relevant_surface_index, n_leaving, n_entering; struct surface_stack_struct* leaving_stack; struct surface_stack_struct* entering_stack; #ifdef Union_trace_verbal_setting printf (" Creating leaving surface stack %d \n", previous_volume); #endif if (previous_volume == 0) { n_leaving = 0; // surrounding vacuum has no stack } else { if (previous_volume == min_volume) { // ray left previous volume on a face of that volume, use that for the list relevant_surface_index = intersection_time_table.surface_index[min_volume][min_solution]; leaving_stack = Volumes[previous_volume]->geometry.surface_stack_for_each_face[relevant_surface_index]; } else { // ray left previous volume through an internal cut of some kind leaving_stack = Volumes[previous_volume]->geometry.internal_cut_surface_stack; } n_leaving = leaving_stack->number_of_surfaces; } #ifdef Union_trace_verbal_setting printf (" Created leaving surface stack for volume %d with %d effects \n", previous_volume, n_leaving); #endif if (current_volume == 0) { n_entering = 0; } else { // List of surfaces from geometry ray is entering, top to bottom (length n_entering) if (current_volume == min_volume) { // ray entered current volume on a face of that volume, use that for the list relevant_surface_index = intersection_time_table.surface_index[min_volume][min_solution]; entering_stack = Volumes[current_volume]->geometry.surface_stack_for_each_face[relevant_surface_index]; } else { // ray left previous volume through an internal cut of some kind entering_stack = Volumes[current_volume]->geometry.internal_cut_surface_stack; } n_entering = entering_stack->number_of_surfaces; } int n_total = n_leaving + n_entering; #ifdef Union_trace_verbal_setting printf (" Created entering surface stack for volume %d with %d effects. Combining into one surface stack \n", current_volume, n_entering); #endif // Only need to run surface system if there are any surface processes if (n_total > 0) { // Make combined list, leaving bottom to top followed by entering top to bottom // Stacks are naturally from bottom to top for (iterator = 0; iterator < n_total; iterator++) { if (iterator < n_leaving) { // grab from leaving stack in natural order interface_stack.p_surface_array[iterator] = leaving_stack->p_surface_array[iterator]; } else { // grab from entering stack in reverse order interface_stack.p_surface_array[iterator] = entering_stack->p_surface_array[n_entering - iterator + n_leaving - 1]; } } // struct surface_process_struct **surface_list; could do interface_struct like this instead int surface_transverse_index = 0; int surface_direction = 1; int surface_iterations = 0; int in_direction; int continues; enum in_or_out inward_or_outward; struct surface_process_struct* surface_pointer; surface_wavevector[0] = V2K * vx; surface_wavevector[1] = V2K * vy; surface_wavevector[2] = V2K * vz; surface_wavevector_before[0] = surface_wavevector[0]; surface_wavevector_before[1] = surface_wavevector[1]; surface_wavevector_before[2] = surface_wavevector[2]; #ifdef Union_trace_verbal_setting double dot_product_before = nx * vx + ny * vy + nz * vz; printf (" Entering surface stack loop \n"); printf (" - normal dot v = %lf \n", dot_product_before); #endif while (1) { #ifdef Union_trace_verbal_setting printf (" Start of surface stack with transverse_index = %d \n", surface_transverse_index); #endif // Escape conditions on each side of stack if (surface_transverse_index < 0) { // Escaped from incoming direction perform_refraction = 0; current_volume = previous_volume; #ifdef Union_trace_verbal_setting printf (" Left stack to incoming side \n"); #endif break; } if (surface_transverse_index >= n_total) { // Went through all layers, continue to refraction as normal #ifdef Union_trace_verbal_setting printf (" Left stack by going all the way through \n"); #endif break; } surface_pointer = interface_stack.p_surface_array[surface_transverse_index]; if (surface_transverse_index < n_leaving) in_direction = 1; else in_direction = -1; if (surface_direction == in_direction) inward_or_outward = inward_bound; else inward_or_outward = outward_bound; // fresh normal in case surface function messed with it normal_vector[0] = nx; normal_vector[1] = ny; normal_vector[2] = nz; // p, wavevector and continues updated by surface_function #ifdef Union_trace_verbal_setting printf (" Running physics_surface with transverse_index = %d \n", surface_transverse_index); #endif physics_surface (surface_pointer, &p, surface_wavevector, &continues, normal_vector, inward_or_outward, _particle); #ifdef Union_trace_verbal_setting printf (" physics_surface reported continues = %d \n", continues); #endif // insert logging if (!continues) surface_direction = -surface_direction; // Flip stack direction if the ray does not continue surface_transverse_index += surface_direction; // Go to next element in stack surface_iterations += 1; if (surface_iterations > 10000) { printf ("ERROR: Ray stuck in surface stack, ABSORBED\n"); done = 1; ray_sucseeded = 0; break; } } // If velocity was updated, register that to the ray and reset intersection memory // Hardcoded limit of 1E-10 m/s change in any direction if (fabs (surface_wavevector_before[0] - surface_wavevector[0]) > 1E-10 || fabs (surface_wavevector_before[1] - surface_wavevector[1]) > 1E-10 || fabs (surface_wavevector_before[2] - surface_wavevector[2]) > 1E-10) { vx = surface_wavevector[0] * K2V; vy = surface_wavevector[1] * K2V; vz = surface_wavevector[2] * K2V; #ifdef Union_trace_verbal_setting printf (" ray direction updated by surface stack \n"); printf ("r = (%f,%f,%f) v = (%f,%f,%f) \n", x, y, z, vx, vy, vz); printf (" - normal dot v = %lf \n", nx * vx + ny * vy + nz * vz); if (surface_transverse_index < 0) printf ("Should have different sign \n"); if (surface_transverse_index >= n_total) printf ("Should have same sign \n"); if (dot_product_before * (nx * vx + ny * vy + nz * vz) < 0) { printf ("Sign did change \n"); } else printf ("Sign did not change \n"); #endif // Report new velocity back, // Update velocity in all ways used in master v[0] = vx; v[1] = vy; v[2] = vz; v_length = sqrt (vx * vx + vy * vy + vz * vz); k_new[0] = V2K * vx; k_new[1] = V2K * vy; k_new[2] = V2K * vz; ray_velocity = coords_set (vx, vy, vz); ignore_closest = min_volume; ignore_surface_index = intersection_time_table.surface_index[min_volume][min_solution]; // Since velocity is updated, we need to clear the intersection time table clear_intersection_table (&intersection_time_table); // Reset origin point for ray r_start[0] = x; r_start[1] = y; r_start[2] = z; time_propagated_without_scattering = 0.0; } } // Need old and current volume here to compare refraction index // Need information on normal vector for intersection // Can then change direction accordingly #ifdef Union_trace_verbal_setting printf ("Entering refraction system \n"); printf ("r = (%f,%f,%f) v = (%f,%f,%f) \n", x, y, z, vx, vy, vz); printf ("n = (%f,%f,%f)\n", nx, ny, nz); double dot_product_before = nx * vx + ny * vy + nz * vz; printf ("normal dot v = %lf \n", dot_product_before); printf ("min_volume = %d, min_solution = %d\n", min_volume, min_solution); #endif // Check if the volume intersection was found with returns normal, allowing refraction calculation // todo will implement differnet solution // if (Volumes[min_volume]->geometry.returns_intersection_normal == 0) perform_refraction = 0; v_length = sqrt (vx * vx + vy * vy + vz * vz); double lambda = 3956.0032 / v_length; if (previous_volume == 0) n1 = 1.0; else { if (Volumes[previous_volume]->p_physics->has_refraction_info == 0 && Volumes[previous_volume]->p_physics->is_vacuum == 0) { perform_refraction = 0; } else { if (Volumes[previous_volume]->p_physics->is_vacuum == 1) { n1 = 1.0; } else { n1 = sqrt (1.0 - (lambda * lambda * Volumes[previous_volume]->p_physics->refraction_scattering_length_density / PI)); } // If the intersection is found with this volume, it is leaving, and the normal needs to be flipped if (previous_volume == min_volume) { nx *= -1; ny *= -1; nz *= -1; } } } if (current_volume == 0) n2 = 1.0; else { if (Volumes[current_volume]->p_physics->has_refraction_info == 0 && Volumes[current_volume]->p_physics->is_vacuum == 0) { perform_refraction = 0; } else { if (Volumes[current_volume]->p_physics->is_vacuum == 1) { n2 = 1.0; } else { n2 = sqrt (1.0 - (lambda * lambda * Volumes[current_volume]->p_physics->refraction_scattering_length_density / PI)); } } } // Check if the two materials are the same, no need to check for refraction / reflection. if (perform_refraction == 1 && previous_volume != 0 && current_volume != 0) { if (strcmp (Volumes[previous_volume]->p_physics->name, Volumes[current_volume]->p_physics->name) == 0) { perform_refraction = 0; } } if (previous_volume == 0 && current_volume == 0) { perform_refraction = 0; // Vacuum to vacuum } else if (previous_volume == 0) { if (Volumes[current_volume]->p_physics->is_vacuum == 1) perform_refraction = 0; // Vacuum to vacuum } else if (current_volume == 0) { if (Volumes[previous_volume]->p_physics->is_vacuum == 1) perform_refraction = 0; // Vacuum to vacuum } else { if (Volumes[previous_volume]->p_physics->is_vacuum == 1 && Volumes[current_volume]->p_physics->is_vacuum == 1) perform_refraction = 0; // Vacuum to vacuum } #ifdef Union_trace_verbal_setting if (perform_refraction == 1) printf ("ready to calculate refraction, current_volume = %d, n1=%lf, n2=%lf \n", current_volume, n1, n2); else printf ("skipping refraction system, current_volume = %d, n1=%lf, n2=%lf \n", current_volume, n1, n2); #endif if (perform_refraction == 1) { double reflectivity; // Skipping roughness // if (RMS>0) Surface_wavyness(&nx, &ny, &nz, atan(2*RMS/lambda), _particle); Coords N = coords_set (nx, ny, nz); // normal vector to surface Coords V = coords_set (vx, vy, vz); // incoming velocity Coords I = coords_scale (V, 1 / v_length); // normalised ray = v/|v| // compute reflectivity double qc; double q_normal = fabs (2 * coords_sp (V, N) * V2Q); double q_qc_quadratic_diff; int use_fresnel; use_fresnel = 1; /* Reflectivity (see component Guide). */ // StdReflecFunc(q_normal, par, &reflectivity); // Reflectivity calculation if (n2 / n1 < 1.0) { // qc exists qc = 4.0 * PI * sin (acos (n2 / n1)) / lambda; if (q_normal < qc) { reflectivity = 1.0; use_fresnel = 0; } // NEUTRON REFLECTION: PRINCIPLES AND EXAMPLES OF APPLICATIONS: Robert Cubitt and Giovanna Fragneto // This expression only works when a qc exists // q_qc_quadratic_diff = sqrt(q_normal*q_normal - qc*qc) // reflectivity = pow((q_normal - q_qc_quadratic_diff)/(q_normal + q_qc_quadratic_diff), 2); } if (use_fresnel) { // Fresnel law for both n1 > n2 and n1 < n2 double term1, term2, R_perp, R_parallel; term1 = n1 * sqrt (1.0 - pow (lambda * q_normal / (4.0 * PI * n1), 2)); term2 = n2 * sqrt (1.0 - pow (lambda * q_normal / (4.0 * PI * n2), 2)); R_perp = ((term1 - term2) / (term1 + term2)) * ((term1 - term2) / (term1 + term2)); R_parallel = ((term2 - term1) / (term2 + term1)) * ((term2 - term1) / (term2 + term1)); reflectivity = 0.5 * (R_perp + R_parallel); // Unpolarized neutrons } double theta1, theta2; // theta1: incident angle to the surface normal double cos_theta1 = -coords_sp (N, I); // cos(theta1) = -N.I if (fabs (cos_theta1) > 1) { printf ("cos_theta1 > 1, Refraction error! Asborbed ray.\n"); ABSORB; // should never occur... } theta1 = acos (cos_theta1) * RAD2DEG; // reflected ray: probability R // reflected beam: I + 2cos(theta1).N Coords I_reflect = coords_add (I, coords_scale (N, 2.0 * cos_theta1)); // reflected velocity: I_reflect.v Coords V_reflect = coords_scale (I_reflect, v_length); // compute refracted angle theta2... double sqr_cos_theta2 = 1.0 - (n1 / n2) * (n1 / n2) * (1.0 - cos_theta1 * cos_theta1); // now choose which one to use, and compute outgoing velocity if (0 < sqr_cos_theta2 && sqr_cos_theta2 < 1.0) { // refraction is possible // theta2: refracted angle to the surface normal double cos_theta2 = sqrt (sqr_cos_theta2); // select reflection (or refraction) from Monte-Carlo choice with probability R // in this case we expect R to be small (q > Qc) if (enable_reflection && 0.0 < reflectivity && reflectivity < 1.0 && rand01 () < reflectivity) { // choose reflection from MC theta2 = theta1; coords_get (V_reflect, &vx, &vy, &vz); current_volume = previous_volume; // Reflected, stays in current volume // Update velocity in all ways used in master v[0] = vx; v[1] = vy; v[2] = vz; v_length = sqrt (vx * vx + vy * vy + vz * vz); k_new[0] = V2K * vx; k_new[1] = V2K * vy; k_new[2] = V2K * vz; ray_velocity = coords_set (vx, vy, vz); #ifdef Union_trace_verbal_setting printf (" Refraction system : ray reflected, (branch 1) going back to volume %d\n", previous_volume); printf (" normal dot v = %lf \n", nx * vx + ny * vy + nz * vz); if ((nx * vx + ny * vy + nz * vz) * dot_product_before > 0) printf (" SIGN SHOULD HAVE CHANGED BUT DIDN'T \n"); #endif ignore_closest = min_volume; ignore_surface_index = intersection_time_table.surface_index[min_volume][min_solution]; // Since velocity is updated, we need to clear the intersection time table clear_intersection_table (&intersection_time_table); // Reset origin point for ray r_start[0] = x; r_start[1] = y; r_start[2] = z; time_propagated_without_scattering = 0.0; } else if (enable_refraction) { // compute refracted ray theta2 = acos (cos_theta2) * RAD2DEG; Coords I_refract = coords_add (coords_scale (I, n1 / n2), coords_scale (N, n1 / n2 * cos_theta1 + (cos_theta1 < 0 ? cos_theta2 : -cos_theta2))); Coords V_refract = coords_scale (I_refract, v_length); coords_get (V_refract, &vx, &vy, &vz); // Update velocity in all ways used in master v[0] = vx; v[1] = vy; v[2] = vz; v_length = sqrt (vx * vx + vy * vy + vz * vz); k_new[0] = V2K * vx; k_new[1] = V2K * vy; k_new[2] = V2K * vz; ray_velocity = coords_set (vx, vy, vz); #ifdef Union_trace_verbal_setting printf (" Refraction system : ray refracted, continues to to volume %d\n", current_volume); printf (" normal dot v = %lf theta2 = %lf \n", nx * vx + ny * vy + nz * vz, theta2); if ((nx * vx + ny * vy + nz * vz) * dot_product_before < 0) printf (" SIGN SHOULD NOT HAVE CHANGED BUT DID \n"); #endif // Reflected can ignore some intersections in next geometry iteration ignore_closest = min_volume; // Ignore closest intersection in next geometry iteration ignore_surface_index = intersection_time_table.surface_index[min_volume][min_solution]; // Since velocity is updated, we need to clear the intersection time table clear_intersection_table (&intersection_time_table); // Reset origin point for ray r_start[0] = x; r_start[1] = y; r_start[2] = z; time_propagated_without_scattering = 0.0; } } else if (enable_reflection) { // only reflection: below total reflection theta2 = theta1; if (0 < reflectivity && reflectivity < 1) p *= reflectivity; // should be R0 coords_get (V_reflect, &vx, &vy, &vz); current_volume = previous_volume; // Reflected, stays in current volume // Update velocity in all ways used in master v[0] = vx; v[1] = vy; v[2] = vz; v_length = sqrt (vx * vx + vy * vy + vz * vz); k_new[0] = V2K * vx; k_new[1] = V2K * vy; k_new[2] = V2K * vz; ray_velocity = coords_set (vx, vy, vz); #ifdef Union_trace_verbal_setting printf (" Refraction system : ray reflected (branch 3), going back to volume %d\n", previous_volume); printf (" normal dot v = %lf \n", nx * vx + ny * vy + nz * vz); if ((nx * vx + ny * vy + nz * vz) * dot_product_before > 0) printf (" SIGN SHOULD HAVE CHANGED BUT DIDN'T \n"); #endif // Reflected can ignore some intersections in next geometry iteration ignore_closest = min_volume; ignore_surface_index = intersection_time_table.surface_index[min_volume][min_solution]; // Since velocity is updated, we need to clear the intersection time table clear_intersection_table (&intersection_time_table); // Reset origin point for ray r_start[0] = x; r_start[1] = y; r_start[2] = z; time_propagated_without_scattering = 0.0; } } // todo: decide how surface on an exit volume should be treated if (Volumes[current_volume]->geometry.is_exit_volume == 1) { done = 1; // Exit volumes allow the ray to escape the component ray_sucseeded = 1; // Allows the ray to leave loop } #ifdef Union_trace_verbal_setting printf ("After refraction system \n"); printf ("r = (%f,%f,%f) v = (%f,%f,%f) \n", x, y, z, vx, vy, vz); printf (" - normal_dot_v = %lf \n", nx * vx + ny * vy + nz * vz); printf ("CURRENT_VOLUME = %d \n", current_volume); #endif } // End of if (previous_volume != current_volume) } // End of scattering or propagation if } else { // Here because a shortest time is not found if (current_volume == 0) { done = 1; ray_sucseeded = 1; } else { // Check for errors (debugging phase) if (error_msg == 0) { component_error_msg++; ray_sucseeded = 0; done = 1; // stop the loop printf ("\n----------------------------------------------------------------------------------------------------\n"); printf ("Union_master %s: Somehow reached a situation with no intersection time found, but still inside volume %d instead of 0\n", NAME_CURRENT_COMP, current_volume); for (volume_index = 1; volume_index < number_of_volumes; volume_index++) { if (r_within_function (ray_position, &Volumes[volume_index]->geometry) == 1) printf ("The ray is in volume %d\n", volume_index); } print_1d_int_list (mask_status_list, "mask status list"); for (iterator = 0; iterator < number_of_volumes; iterator++) printf ("%d:%d - ", iterator, scattered_flag[iterator]); printf ("\n"); printf ("r = (%f,%f,%f) v = (%f,%f,%f) \n", x, y, z, vx, vy, vz); printf ("Trace error number (%d/100) \n", component_error_msg); } error_msg++; if (component_error_msg > 100) { printf ("To many errors encountered, exiting. \n"); // need ERROR FLAG to be read in finally which can warn the user of problems! exit (1); } } } if (limit == 0) { done = 1; ray_sucseeded = 0; printf ("Reached limit on number of interactions, and discarded the neutron, was in volume %d\n", current_volume); ABSORB; } #ifdef Union_trace_verbal_setting printf ("----------- END OF WHILE LOOP --------------------------------------\n"); #endif } // Could move all add_statistics and similar to this point, but need to filter for failed rays if (ray_sucseeded == 1) { // Ray sucseeded, need to check status of conditionals #ifdef Union_trace_verbal_setting printf ("----------- logger loop --------------------------------------\n"); #endif // Loggers attatched to specific volumes need to be handled with care to avoid looping over all loggers for every ray if (enable_conditionals == 1) { for (log_index = loggers_with_data_array.used_elements - 1; log_index > -1; log_index--) { // Check all conditionals attatched to the current logger this_logger = loggers_with_data_array.logger_pointers[log_index]; conditional_status = 1; for (iterator = 0; iterator < loggers_with_data_array.logger_pointers[log_index]->conditional_list.num_elements; iterator++) { // Call this particular conditional. If it fails, report the status and break #ifdef Union_trace_verbal_setting printf ("Checking conditional number %d for logger named %s \n", iterator, loggers_with_data_array.logger_pointers[log_index]->name); #endif if (0 == this_logger->conditional_list.conditional_functions[iterator](this_logger->conditional_list.p_data_unions[iterator], &ray_position, &ray_velocity, &p, &t, ¤t_volume, &number_of_scattering_events, scattered_flag, scattered_flag_VP)) { conditional_status = 0; break; } } if (conditional_status == 1) { // If a logger does not have a conditional, it will write directly to perm, and not even add it to the loggers_with_data_array, thus we know the // temp_to_perm function needs to be called The input for the temp_to_perm function is a pointer to the logger_data_union for the appropriate logger if (loggers_with_data_array.logger_pointers[log_index]->function_pointers.select_t_to_p == 1) { loggers_with_data_array.logger_pointers[log_index]->function_pointers.temp_to_perm (&loggers_with_data_array.logger_pointers[log_index]->data_union); } else if (loggers_with_data_array.logger_pointers[log_index]->function_pointers.select_t_to_p == 2) { loggers_with_data_array.logger_pointers[log_index]->function_pointers.temp_to_perm_final_p ( &loggers_with_data_array.logger_pointers[log_index]->data_union, p); } // The user can set a condtional_extend_index, so that the evaluation of this specific conditional can be taken easily from extend if (loggers_with_data_array.logger_pointers[log_index]->logger_extend_index != -1) { #ifdef Union_trace_verbal_setting printf ("Updating logger_conditional_extend_array[%d] to 1 (max length = %d)\n", loggers_with_data_array.logger_pointers[log_index]->logger_extend_index, max_conditional_extend_index); #endif logger_conditional_extend_array[loggers_with_data_array.logger_pointers[log_index]->logger_extend_index] = 1; // Can be reached from EXTEND // Are all reset to 0 for each new ray #ifdef Union_trace_verbal_setting printf ("Updated extend index sucessfully\n"); #endif } // Need to remove the current element from logger_with_data as it has been cleared and written to disk // The remaining elements is passed on to the next Union_master as it may fulfill the conditional after that master if (global_master_list_master->elements[global_master_list_master->num_elements - 1].component_index != INDEX_CURRENT_COMP) { // Move current logger pointer in logger_with_data to end position loggers_with_data_array.logger_pointers[log_index] = loggers_with_data_array.logger_pointers[loggers_with_data_array.used_elements - 1]; // Decrease logger_with_data.used_elements with 1 loggers_with_data_array.used_elements--; } } } // Perform the same loop with abs_loggers and their conditionals for (log_index = abs_loggers_with_data_array.used_elements - 1; log_index > -1; log_index--) { // Check all conditionals attatched to the current logger this_abs_logger = abs_loggers_with_data_array.abs_logger_pointers[log_index]; conditional_status = 1; for (iterator = 0; iterator < abs_loggers_with_data_array.abs_logger_pointers[log_index]->conditional_list.num_elements; iterator++) { // Call this particular conditional. If it fails, report the status and break #ifdef Union_trace_verbal_setting printf ("Checking conditional number %d for abs logger named %s \n", iterator, abs_loggers_with_data_array.abs_logger_pointers[log_index]->name); #endif if (0 == this_abs_logger->conditional_list.conditional_functions[iterator](this_abs_logger->conditional_list.p_data_unions[iterator], &ray_position, &ray_velocity, &p, &t, ¤t_volume, &number_of_scattering_events, scattered_flag, scattered_flag_VP)) { conditional_status = 0; break; } } if (conditional_status == 1) { // If a logger does not have a conditional, it will write directly to perm, and not even add it to the loggers_with_data_array, thus we know the // temp_to_perm function needs to be called The input for the temp_to_perm function is a pointer to the logger_data_union for the appropriate logger abs_loggers_with_data_array.abs_logger_pointers[log_index]->function_pointers.temp_to_perm ( &abs_loggers_with_data_array.abs_logger_pointers[log_index]->data_union); // The user can set a condtional_extend_index, so that the evaluation of this specific conditional can be taken easily from extend if (abs_loggers_with_data_array.abs_logger_pointers[log_index]->abs_logger_extend_index != -1) { #ifdef Union_trace_verbal_setting printf ("Updating logger_conditional_extend_array[%d] to 1 (max length = %d)\n", abs_loggers_with_data_array.abs_logger_pointers[log_index]->abs_logger_extend_index, max_conditional_extend_index); #endif abs_logger_conditional_extend_array[abs_loggers_with_data_array.abs_logger_pointers[log_index]->abs_logger_extend_index] = 1; // Can be reached from EXTEND // Are all reset to 0 for each new ray #ifdef Union_trace_verbal_setting printf ("Updated extend index sucessfully\n"); #endif } // Need to remove the current element from logger_with_data as it has been cleared and written to disk // The remaining elements is passed on to the next Union_master as it may fulfill the conditional after that master if (global_master_list_master->elements[global_master_list_master->num_elements - 1].component_index != INDEX_CURRENT_COMP) { // Move current logger pointer in logger_with_data to end position abs_loggers_with_data_array.abs_logger_pointers[log_index] = abs_loggers_with_data_array.abs_logger_pointers[abs_loggers_with_data_array.used_elements - 1]; // Decrease logger_with_data.used_elements with 1 abs_loggers_with_data_array.used_elements--; } } } } if (enable_tagging && stop_tagging_ray == 0) { conditional_status = 1; for (iterator = 0; iterator < tagging_conditional_list->num_elements; iterator++) { // Call this particular conditional. If it fails, report the status and break // Since a conditional can work for a logger and master_tagging at the same time, it may be evaluated twice #ifdef Union_trace_verbal_setting printf ("Checking tagging conditional number %d\n", iterator); #endif if (0 == tagging_conditional_list->conditional_functions[iterator](tagging_conditional_list->p_data_unions[iterator], &ray_position, &ray_velocity, &p, &t, ¤t_volume, &number_of_scattering_events, scattered_flag, scattered_flag_VP)) { conditional_status = 0; break; } } if (conditional_status == 1) { tagging_conditional_extend = 1; #ifdef Union_trace_verbal_setting printf ("Before adding statistics to node: current_tagging_nodbe->intensity = %f\n", current_tagging_node->intensity); printf ("Before adding statistics to node: current_tagging_node->number_of_rays = %d\n", current_tagging_node->number_of_rays); #endif add_statistics_to_node (current_tagging_node, &ray_position, &ray_velocity, &p, &tagging_leaf_counter); #ifdef Union_trace_verbal_setting printf ("After adding statistics to node: current_tagging_node->intensity = %f\n", current_tagging_node->intensity); printf ("After adding statistics to node: current_tagging_node->number_of_rays = %d\n", current_tagging_node->number_of_rays); #endif } } // Move the rays a nano meter away from the surface it left, in case activation counter > 1, this will prevent the ray from starting on a volume boundery x += vx * 1E-9; y += vy * 1E-9; z += vz * 1E-9; t += 1E-9; } else { ABSORB; // Absorb rays that didn't exit correctly for whatever reason // Could error log here } // Stores nubmer of scattering events in global master list so that another master with inherit_number_of_scattering_events can continue global_master_list_master->elements[this_global_master_index].stored_number_of_scattering_events = number_of_scattering_events; #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + vx + vy + vz + x + y + z)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(vx) + fabs(vy) + fabs(vz) + fabs(x) + fabs(y) + fabs(z))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vx) || isinf(vx)) printf("NAN or INF found in vx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vy) || isinf(vy)) printf("NAN or INF found in vy, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vz) || isinf(vz)) printf("NAN or INF found in vz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif #define scattered_flag_instr (_particle->scattered_flag_instr) if (_comp->_index == 11) { // EXTEND 'test_sample' if (number_of_scattering_events == 0) scattered_flag_instr=0; else scattered_flag_instr=1; } #undef scattered_flag_instr #undef enable_refraction #undef enable_reflection #undef verbal #undef list_verbal #undef finally_verbal #undef allow_inside_start #undef enable_tagging #undef history_limit #undef enable_conditionals #undef inherit_number_of_scattering_events #undef weight_ratio_limit #undef init #undef global_positions_to_transform_list_master #undef global_rotations_to_transform_list_master #undef global_process_list_master #undef global_material_list_master #undef global_surface_list_master #undef global_geometry_list_master #undef global_all_volume_logger_list_master #undef global_specific_volumes_logger_list_master #undef global_all_volume_abs_logger_list_master #undef global_specific_volumes_abs_logger_list_master #undef global_tagging_conditional_list_master #undef global_master_list_master #undef starting_volume_warning #undef global_master_element #undef this_global_master_index #undef previous_master_index #undef geometry_list_index #undef intersection_time_table #undef Volumes #undef Geometries #undef Volume_copies #undef starting_lists #undef Volume_copies_allocated #undef r #undef r_start #undef v #undef error_msg #undef component_error_msg #undef string_output #undef number_of_volumes #undef volume_index #undef process_index #undef iterator #undef solutions #undef max_number_of_processes #undef limit #undef solution #undef min_solution #undef ignore_closest #undef ignore_surface_index #undef min_volume #undef time_found #undef intersection_time #undef min_intersection_time #undef process #undef process_start #undef my_trace #undef p_my_trace #undef my_trace_fraction_control #undef k #undef k_new #undef k_old #undef k_rotated #undef v_length #undef my_sum #undef my_sum_plus_abs #undef culmative_probability #undef mc_prop #undef time_to_scattering #undef length_to_scattering #undef length_to_boundary #undef time_to_boundery #undef selected_process #undef scattering_event #undef time_propagated_without_scattering #undef a_next_volume_found #undef next_volume #undef next_volume_priority #undef done #undef current_volume #undef previous_volume #undef ray_sucseeded #undef number_of_solutions #undef number_of_solutions_static #undef check #undef start #undef intersection_with_children #undef geometry_output #undef tree_next_volume #undef pre_allocated1 #undef pre_allocated2 #undef pre_allocated3 #undef ray_position #undef ray_velocity #undef ray_velocity_rotated #undef ray_velocity_final #undef wavevector #undef wavevector_rotated #undef volume_0_found #undef scattered_flag #undef scattered_flag_VP #undef master_transposed_rotation_matrix #undef temp_rotation_matrix #undef temp_transpose_rotation_matrix #undef non_rotated_position #undef rotated_position #undef non_isotropic_found #undef master_tagging_node_list #undef current_tagging_node #undef tagging_leaf_counter #undef stop_tagging_ray #undef stop_creating_nodes #undef number_of_scattering_events #undef real_transmission_probability #undef mc_transmission_probability #undef number_of_process_interacts_set #undef index_of_lacking_process #undef total_process_interact #undef geometry_component_index_list #undef mask_volume_index_list #undef number_of_masks #undef number_of_masked_volumes #undef mask_status_list #undef current_mask_intersect_list_status #undef mask_index_main #undef mask_iterator #undef mask_start #undef mask_check #undef need_to_run_within_which_volume #undef number_of_processes_array #undef p_old #undef log_index #undef conditional_status #undef this_logger #undef this_abs_logger #undef tagging_conditional_list #undef logger_conditional_extend_array #undef abs_logger_conditional_extend_array #undef max_conditional_extend_index #undef tagging_conditional_extend #undef free_tagging_conditioanl_list #undef safety_distance #undef safety_distance2 #undef temporary_focus_data #undef this_focus_data #undef focus_data_index #undef r_old #undef initial_weight #undef abs_weight_factor #undef time_old #undef absorption_index #undef abs_weight_factor_set #undef my_abs #undef absorption_event_data #undef abs_position #undef transformed_abs_position #undef t_abs_propagation #undef abs_distance #undef abs_max_length #undef longest_surface_stack #undef interface_stack return; } /* class_Union_master_trace */ #pragma acc routine void class_PSD_monitor_4PI_trace(_class_PSD_monitor_4PI *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define nx (_comp->_parameters.nx) #define ny (_comp->_parameters.ny) #define filename (_comp->_parameters.filename) #define nowritefile (_comp->_parameters.nowritefile) #define radius (_comp->_parameters.radius) #define restore_neutron (_comp->_parameters.restore_neutron) #define PSD_N (_comp->_parameters.PSD_N) #define PSD_p (_comp->_parameters.PSD_p) #define PSD_p2 (_comp->_parameters.PSD_p2) SIG_MESSAGE("[_det_trace] component det=PSD_monitor_4PI() TRACE [PSD_monitor_4PI:0]"); double t0, t1, phi, theta; int i, j; if (sphere_intersect (&t0, &t1, x, y, z, vx, vy, vz, radius) && t1 > 0) { if (t0 < 0) t0 = t1; /* t0 is now time of intersection with the sphere. */ mcPROP_DT (t0); phi = atan2 (x, z); i = floor (nx * (phi / (2 * PI) + 0.5)); if (i >= nx) i = nx - 1; /* Special case for phi = PI. */ else if (i < 0) i = 0; theta = asin (y / radius); j = floor (ny * (theta + PI / 2) / PI + 0.5); if (j >= ny) j = ny - 1; /* Special case for y = radius. */ else if (j < 0) j = 0; double p2 = p * p; #pragma acc atomic PSD_N[i][j] = PSD_N[i][j] + 1; #pragma acc atomic PSD_p[i][j] = PSD_p[i][j] + p; #pragma acc atomic PSD_p2[i][j] = PSD_p2[i][j] + p2; SCATTER; } if (restore_neutron) { RESTORE_NEUTRON (INDEX_CURRENT_COMP, x, y, z, vx, vy, vz, t, sx, sy, sz, p); } #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + vx + vy + vz + x + y + z)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(vx) + fabs(vy) + fabs(vz) + fabs(x) + fabs(y) + fabs(z))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vx) || isinf(vx)) printf("NAN or INF found in vx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vy) || isinf(vy)) printf("NAN or INF found in vy, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vz) || isinf(vz)) printf("NAN or INF found in vz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif #undef nx #undef ny #undef filename #undef nowritefile #undef radius #undef restore_neutron #undef PSD_N #undef PSD_p #undef PSD_p2 return; } /* class_PSD_monitor_4PI_trace */ #pragma acc routine void class_Monitor_nD_trace(_class_Monitor_nD *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define user1 (_comp->_parameters.user1) #define user2 (_comp->_parameters.user2) #define user3 (_comp->_parameters.user3) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define zdepth (_comp->_parameters.zdepth) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) #define zmin (_comp->_parameters.zmin) #define zmax (_comp->_parameters.zmax) #define bins (_comp->_parameters.bins) #define min (_comp->_parameters.min) #define max (_comp->_parameters.max) #define restore_neutron (_comp->_parameters.restore_neutron) #define radius (_comp->_parameters.radius) #define options (_comp->_parameters.options) #define filename (_comp->_parameters.filename) #define geometry (_comp->_parameters.geometry) #define nowritefile (_comp->_parameters.nowritefile) #define nexus_bins (_comp->_parameters.nexus_bins) #define username1 (_comp->_parameters.username1) #define username2 (_comp->_parameters.username2) #define username3 (_comp->_parameters.username3) #define DEFS (_comp->_parameters.DEFS) #define Vars (_comp->_parameters.Vars) #define detector (_comp->_parameters.detector) #define offdata (_comp->_parameters.offdata) SIG_MESSAGE("[_Banana_monitor_trace] component Banana_monitor=Monitor_nD() TRACE [Monitor_nD:0]"); double transmit_he3 = 1.0; double multiplier_capture = 1.0; double t0 = 0; double t1 = 0; int pp; int intersect = 0; char Flag_Restore = 0; #ifdef OPENACC #ifdef USE_OFF off_struct thread_offdata = offdata; #endif #else #define thread_offdata offdata #endif /* this is done automatically STORE_NEUTRON(INDEX_CURRENT_COMP, x, y, z, vx, vy, vz, t, sx, sy, sz, p); */ #ifdef USE_OFF if (geometry && strlen (geometry) && strcmp (geometry, "0") && strcmp (geometry, "NULL")) { /* determine intersections with object */ intersect = off_intersect_all (&t0, &t1, NULL, NULL, x, y, z, vx, vy, vz, 0, 0, 0, &thread_offdata); if (Vars.Flag_mantid) { if (intersect) { Vars.OFF_polyidx = thread_offdata.nextintersect; } else { Vars.OFF_polyidx = -1; } } } else #endif if ((abs (Vars.Flag_Shape) == DEFS.SHAPE_SQUARE) || (abs (Vars.Flag_Shape) == DEFS.SHAPE_DISK)) /* square xy or disk xy */ { // propagate to xy plane and find intersection // make sure the event is recoverable afterwards t0 = t; ALLOW_BACKPROP; PROP_Z0; if ((t >= t0) && (z == 0.0)) // forward propagation to xy plane was successful { if (abs (Vars.Flag_Shape) == DEFS.SHAPE_SQUARE) { // square xy intersect = (x >= Vars.mxmin && x <= Vars.mxmax && y >= Vars.mymin && y <= Vars.mymax); } else { // disk xy intersect = (SQR (x) + SQR (y)) <= SQR (Vars.Sphere_Radius); } } else { intersect = 0; } } else if (abs (Vars.Flag_Shape) == DEFS.SHAPE_SPHERE) /* sphere */ { intersect = sphere_intersect (&t0, &t1, x, y, z, vx, vy, vz, Vars.Sphere_Radius); /* intersect = (intersect && t0 > 0); */ } else if ((abs (Vars.Flag_Shape) == DEFS.SHAPE_CYLIND) || (abs (Vars.Flag_Shape) == DEFS.SHAPE_BANANA)) /* cylinder */ { intersect = cylinder_intersect (&t0, &t1, x, y, z, vx, vy, vz, Vars.Sphere_Radius, Vars.Cylinder_Height); } else if (abs (Vars.Flag_Shape) == DEFS.SHAPE_BOX) /* box */ { intersect = box_intersect (&t0, &t1, x, y, z, vx, vy, vz, fabs (Vars.mxmax - Vars.mxmin), fabs (Vars.mymax - Vars.mymin), fabs (Vars.mzmax - Vars.mzmin)); } else if (abs (Vars.Flag_Shape) == DEFS.SHAPE_PREVIOUS) /* previous comp */ { intersect = 1; } if (intersect) { if ((abs (Vars.Flag_Shape) == DEFS.SHAPE_SPHERE) || (abs (Vars.Flag_Shape) == DEFS.SHAPE_CYLIND) || (abs (Vars.Flag_Shape) == DEFS.SHAPE_BOX) || (abs (Vars.Flag_Shape) == DEFS.SHAPE_BANANA) || (geometry && strlen (geometry) && strcmp (geometry, "0") && strcmp (geometry, "NULL"))) { /* check if we have to remove the top/bottom with BANANA shape */ if (abs (Vars.Flag_Shape) == DEFS.SHAPE_BANANA) { if (intersect == 1) { // Entered and left through sides if (t0 < 0 && t1 > 0) { t0 = t; /* neutron was already inside ! */ } if (t1 < 0 && t0 > 0) { /* neutron exit before entering !! */ t1 = t; } /* t0 is now time of incoming intersection with the detection area */ if ((Vars.Flag_Shape < 0) && (t1 > 0)) { PROP_DT (t1); /* t1 outgoing beam */ } else { PROP_DT (t0); /* t0 incoming beam */ } } else if (intersect == 3 || intersect == 5) { // Entered from top or bottom, left through side if ((Vars.Flag_Shape < 0) && (t1 > 0)) { PROP_DT (t1); /* t1 outgoing beam */ } else { intersect = 0; Flag_Restore = 1; } } else if (intersect == 9 || intersect == 17) { // Entered through side, left from top or bottom if ((Vars.Flag_Shape < 0) && (t1 > 0)) { intersect = 0; Flag_Restore = 1; } else { PROP_DT (t0); /* t0 incoming beam */ } } else if (intersect == 13 || intersect == 19) { // Went through top/bottom on entry and exit intersect = 0; Flag_Restore = 1; } else { printf ("Cylinder_intersect returned unexpected value %i\n", intersect); } } else { // All other shapes than the BANANA if (t0 < 0 && t1 > 0) t0 = t; /* neutron was already inside ! */ if (t1 < 0 && t0 > 0) /* neutron exit before entering !! */ t1 = t; /* t0 is now time of incoming intersection with the detection area */ if ((Vars.Flag_Shape < 0) && (t1 > 0)) PROP_DT (t1); /* t1 outgoing beam */ else PROP_DT (t0); /* t0 incoming beam */ } /* Final test if we are on lid / bottom of banana/sphere */ if (abs (Vars.Flag_Shape) == DEFS.SHAPE_BANANA || abs (Vars.Flag_Shape) == DEFS.SHAPE_SPHERE) { if (Vars.Cylinder_Height && fabs (y) >= Vars.Cylinder_Height / 2 - FLT_EPSILON) { intersect = 0; Flag_Restore = 1; } } } } if (intersect) { /* Now get the data to monitor: current or keep from PreMonitor */ /* if (Vars.Flag_UsePreMonitor != 1)*/ /* {*/ /* Vars.cp = p;*/ /* Vars.cx = x;*/ /* Vars.cvx = vx;*/ /* Vars.csx = sx;*/ /* Vars.cy = y;*/ /* Vars.cvy = vy;*/ /* Vars.csy = sy;*/ /* Vars.cz = z;*/ /* Vars.cvz = vz;*/ /* Vars.csz = sz;*/ /* Vars.ct = t;*/ /* }*/ if ((Vars.He3_pressure > 0) && (t1 != t0) && ((abs (Vars.Flag_Shape) == DEFS.SHAPE_SPHERE) || (abs (Vars.Flag_Shape) == DEFS.SHAPE_CYLIND) || (abs (Vars.Flag_Shape) == DEFS.SHAPE_BOX))) { transmit_he3 = exp (-7.417 * Vars.He3_pressure * fabs (t1 - t0) * 2 * PI * K2V); /* will monitor the absorbed part */ p = p * (1 - transmit_he3); } if (Vars.Flag_capture) { multiplier_capture = V2K * sqrt (vx * vx + vy * vy + vz * vz); if (multiplier_capture != 0) multiplier_capture = 2 * PI / multiplier_capture; /* lambda. lambda(2200 m/2) = 1.7985 Angs */ p = p * multiplier_capture / 1.7985; } pp = Monitor_nD_Trace (&DEFS, &Vars, _particle); if (pp == 0.0) { ABSORB; } else if (pp == 1) { SCATTER; } /*set weight to undetected part if capture and/or he3_pressure*/ if (Vars.He3_pressure > 0) { /* after monitor, only remains 1-p_detect */ p = p * transmit_he3 / (1.0 - transmit_he3); } if (Vars.Flag_capture) { p = p / multiplier_capture * 1.7985; } if (Vars.Flag_parallel) /* back to neutron state before detection */ Flag_Restore = 1; } /* end if intersection */ else { if (Vars.Flag_Absorb && !Vars.Flag_parallel) { // restore neutron ray before absorbing for correct mcdisplay RESTORE_NEUTRON (INDEX_CURRENT_COMP, x, y, z, vx, vy, vz, t, sx, sy, sz, p); ABSORB; } else Flag_Restore = 1; /* no intersection, back to previous state */ } if (Flag_Restore) { RESTORE_NEUTRON (INDEX_CURRENT_COMP, x, y, z, vx, vy, vz, t, sx, sy, sz, p); } #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + vx + vy + vz + x + y + z)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(vx) + fabs(vy) + fabs(vz) + fabs(x) + fabs(y) + fabs(z))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vx) || isinf(vx)) printf("NAN or INF found in vx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vy) || isinf(vy)) printf("NAN or INF found in vy, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vz) || isinf(vz)) printf("NAN or INF found in vz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif #undef user1 #undef user2 #undef user3 #undef xwidth #undef yheight #undef zdepth #undef xmin #undef xmax #undef ymin #undef ymax #undef zmin #undef zmax #undef bins #undef min #undef max #undef restore_neutron #undef radius #undef options #undef filename #undef geometry #undef nowritefile #undef nexus_bins #undef username1 #undef username2 #undef username3 #undef DEFS #undef Vars #undef detector #undef offdata return; } /* class_Monitor_nD_trace */ #pragma acc routine void class_PSDlin_monitor_trace(_class_PSDlin_monitor *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define nbins (_comp->_parameters.nbins) #define filename (_comp->_parameters.filename) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) #define nowritefile (_comp->_parameters.nowritefile) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define restore_neutron (_comp->_parameters.restore_neutron) #define vertical (_comp->_parameters.vertical) #define PSDlin_N (_comp->_parameters.PSDlin_N) #define PSDlin_p (_comp->_parameters.PSDlin_p) #define PSDlin_p2 (_comp->_parameters.PSDlin_p2) SIG_MESSAGE("[_PSDlin_transmission_scattered_trace] component PSDlin_transmission_scattered=PSDlin_monitor() TRACE [PSDlin_monitor:0]"); int i; PROP_Z0; if (x > xmin && x < xmax && y > ymin && y < ymax) { /* Bin number */ if (!vertical) { i = floor (nbins * (x - xmin) / (xmax - xmin)); } else { i = floor (nbins * (y - ymin) / (ymax - ymin)); } if ((i >= nbins) || (i < 0)) { printf ("ERROR: (%s) wrong positioning in linear PSD. i= %i \n", NAME_CURRENT_COMP, i); exit (1); } double p2 = p * p; #pragma acc atomic PSDlin_N[i] = PSDlin_N[i] + 1; #pragma acc atomic PSDlin_p[i] = PSDlin_p[i] + p; #pragma acc atomic PSDlin_p2[i] = PSDlin_p2[i] + p2; SCATTER; } if (restore_neutron) { RESTORE_NEUTRON (INDEX_CURRENT_COMP, x, y, z, vx, vy, vz, t, sx, sy, sz, p); } #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + vx + vy + vz + x + y + z)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(vx) + fabs(vy) + fabs(vz) + fabs(x) + fabs(y) + fabs(z))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vx) || isinf(vx)) printf("NAN or INF found in vx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vy) || isinf(vy)) printf("NAN or INF found in vy, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(vz) || isinf(vz)) printf("NAN or INF found in vz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif #undef nbins #undef filename #undef xmin #undef xmax #undef ymin #undef ymax #undef nowritefile #undef xwidth #undef yheight #undef restore_neutron #undef vertical #undef PSDlin_N #undef PSDlin_p #undef PSDlin_p2 return; } /* class_PSDlin_monitor_trace */ #define scattered_flag_instr (_particle->scattered_flag_instr) /* ***************************************************************************** * instrument 'Laue_camera' TRACE ***************************************************************************** */ #ifndef FUNNEL #pragma acc routine int raytrace(_class_particle* _particle) { /* single event propagation, called by mccode_main for Laue_camera:TRACE */ /* init variables and counters for TRACE */ #undef ABSORB0 #undef ABSORB #define ABSORB0 do { DEBUG_ABSORB(); MAGNET_OFF; ABSORBED++;} while(0) #define ABSORB ABSORB0 DEBUG_ENTER(); DEBUG_STATE(); _particle->flag_nocoordschange=0; /* Init */ _class_particle _particle_save=*_particle; /* the main iteration loop for one incoming event */ while (!ABSORBED) { /* iterate event until absorbed */ /* send particle event to component instance, one after the other */ /* begin component init=Union_init() [1] */ if (!ABSORBED && _particle->_index == 1) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle->_index++; } /* end component init [1] */ /* begin component YBaCuO_incoherent=Incoherent_process() [2] */ if (!ABSORBED && _particle->_index == 2) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle->_index++; } /* end component YBaCuO_incoherent [2] */ /* begin component single_crystal_orientation_110_vertical=Arm() [3] */ if (!ABSORBED && _particle->_index == 3) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle->_index++; } /* end component single_crystal_orientation_110_vertical [3] */ /* begin component single_crystal_orientation_001_along_x=Arm() [4] */ if (!ABSORBED && _particle->_index == 4) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle->_index++; } /* end component single_crystal_orientation_001_along_x [4] */ /* begin component YBaCuO_single_crystal=Single_crystal_process() [5] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_YBaCuO_single_crystal_var._rotation_is_identity) { if(!_YBaCuO_single_crystal_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _YBaCuO_single_crystal_var._position_relative),&x, &y, &z); } } else { mccoordschange(_YBaCuO_single_crystal_var._position_relative, _YBaCuO_single_crystal_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 5) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_YBaCuO_single_crystal_var._name); DEBUG_STATE(); class_Single_crystal_process_trace(&_YBaCuO_single_crystal_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component YBaCuO_single_crystal [5] */ /* begin component YBaCuO=Union_make_material() [6] */ if (!ABSORBED && _particle->_index == 6) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle->_index++; } /* end component YBaCuO [6] */ /* begin component Origin=Progress_bar() [7] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_Origin_var._rotation_is_identity) { if(!_Origin_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _Origin_var._position_relative),&x, &y, &z); } } else { mccoordschange(_Origin_var._position_relative, _Origin_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 7) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_Origin_var._name); DEBUG_STATE(); class_Progress_bar_trace(&_Origin_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component Origin [7] */ /* begin component source=Source_simple() [8] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_source_var._rotation_is_identity) { if(!_source_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _source_var._position_relative),&x, &y, &z); } } else { mccoordschange(_source_var._position_relative, _source_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 8) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_source_var._name); DEBUG_STATE(); class_Source_simple_trace(&_source_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component source [8] */ /* begin component slit=Slit() [9] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_slit_var._rotation_is_identity) { if(!_slit_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _slit_var._position_relative),&x, &y, &z); } } else { mccoordschange(_slit_var._position_relative, _slit_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 9) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_slit_var._name); DEBUG_STATE(); class_Slit_trace(&_slit_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component slit [9] */ /* begin component cylinder_sample_union=Union_cylinder() [10] */ if (!ABSORBED && _particle->_index == 10) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle->_index++; } /* end component cylinder_sample_union [10] */ /* begin component test_sample=Union_master() [11] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_test_sample_var._rotation_is_identity) { if(!_test_sample_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _test_sample_var._position_relative),&x, &y, &z); } } else { mccoordschange(_test_sample_var._position_relative, _test_sample_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 11) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_test_sample_var._name); DEBUG_STATE(); class_Union_master_trace(&_test_sample_var, _particle); /* contains EXTEND code */ if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component test_sample [11] */ /* begin component det=PSD_monitor_4PI() [12] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_det_var._rotation_is_identity) { if(!_det_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _det_var._position_relative),&x, &y, &z); } } else { mccoordschange(_det_var._position_relative, _det_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 12) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_det_var._name); DEBUG_STATE(); if ((( scattered_flag_instr == 1 ))) // conditional WHEN execution class_PSD_monitor_4PI_trace(&_det_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component det [12] */ /* begin component Banana_monitor=Monitor_nD() [13] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_Banana_monitor_var._rotation_is_identity) { if(!_Banana_monitor_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _Banana_monitor_var._position_relative),&x, &y, &z); } } else { mccoordschange(_Banana_monitor_var._position_relative, _Banana_monitor_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 13) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_Banana_monitor_var._name); DEBUG_STATE(); class_Monitor_nD_trace(&_Banana_monitor_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component Banana_monitor [13] */ /* begin component PSDlin_transmission_scattered=PSDlin_monitor() [14] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_PSDlin_transmission_scattered_var._rotation_is_identity) { if(!_PSDlin_transmission_scattered_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _PSDlin_transmission_scattered_var._position_relative),&x, &y, &z); } } else { mccoordschange(_PSDlin_transmission_scattered_var._position_relative, _PSDlin_transmission_scattered_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 14) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_PSDlin_transmission_scattered_var._name); DEBUG_STATE(); if ((( scattered_flag_instr == 1 ))) // conditional WHEN execution class_PSDlin_monitor_trace(&_PSDlin_transmission_scattered_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component PSDlin_transmission_scattered [14] */ /* begin component PSDlin_transmission_transmitted=PSDlin_monitor() [15] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_PSDlin_transmission_transmitted_var._rotation_is_identity) { if(!_PSDlin_transmission_transmitted_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _PSDlin_transmission_transmitted_var._position_relative),&x, &y, &z); } } else { mccoordschange(_PSDlin_transmission_transmitted_var._position_relative, _PSDlin_transmission_transmitted_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 15) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_PSDlin_transmission_transmitted_var._name); DEBUG_STATE(); if ((( scattered_flag_instr == 0 ))) // conditional WHEN execution class_PSDlin_monitor_trace(&_PSDlin_transmission_transmitted_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component PSDlin_transmission_transmitted [15] */ /* begin component stop=Union_stop() [16] */ if (!ABSORBED && _particle->_index == 16) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle->_index++; } /* end component stop [16] */ if (_particle->_index > 16) ABSORBED++; /* absorbed when passed all components */ } /* while !ABSORBED */ DEBUG_LEAVE() particle_restore(_particle, &_particle_save); DEBUG_STATE() return(_particle->_index); } /* raytrace */ /* loop to generate events and call raytrace() propagate them */ void raytrace_all(unsigned long long ncount, unsigned long seed) { /* CPU-loop */ unsigned long long loops; loops = ceil((double)ncount/gpu_innerloop); /* if on GPU, printf has been globally nullified, re-enable here */ #ifdef OPENACC #undef strlen #undef strcmp #undef exit #undef printf #undef sprintf #undef fprintf #endif #ifdef OPENACC if (ncount>gpu_innerloop) { printf("Defining %llu CPU loops around GPU kernel and adjusting ncount\n",loops); mcset_ncount(loops*gpu_innerloop); } else { #endif loops=1; gpu_innerloop = ncount; #ifdef OPENACC } #endif for (unsigned long long cloop=0; cloop1) fprintf(stdout, "%d..", (int)cloop); fflush(stdout); #endif /* if on GPU, re-nullify printf */ #ifdef OPENACC #undef strlen #undef strcmp #undef exit #undef printf #undef sprintf #undef fprintf #endif #pragma acc parallel loop num_gangs(numgangs) vector_length(vecsize) for (unsigned long pidx=0 ; pidx < gpu_innerloop ; pidx++) { _class_particle particleN = mcgenstate(); // initial particle _class_particle* _particle = &particleN; particleN._uid = pidx; #ifdef USE_MPI particleN._uid += mpi_node_rank * ncount; #endif srandom(_hash((pidx+1)*(seed+1))); raytrace(_particle); } /* inner for */ seed = seed+gpu_innerloop; } /* CPU for */ /* if on GPU, printf has been globally nullified, re-enable here */ #ifdef OPENACC #undef strlen #undef strcmp #undef exit #undef printf #undef sprintf #undef fprintf #endif MPI_MASTER( printf("*** TRACE end *** \n"); ); } /* raytrace_all */ #endif //no-FUNNEL #ifdef FUNNEL // Alternative raytrace algorithm which iterates all particles through // one component at the time, can remove absorbs from the next loop and // switch between cpu/gpu. void raytrace_all_funnel(unsigned long long ncount, unsigned long seed) { // set up outer (CPU) loop / particle batches unsigned long long loops; /* if on GPU, printf has been globally nullified, re-enable here */ #ifdef OPENACC #undef strlen #undef strcmp #undef exit #undef printf #undef sprintf #undef fprintf #endif #ifdef OPENACC loops = ceil((double)ncount/gpu_innerloop); if (ncount>gpu_innerloop) { printf("Defining %llu CPU loops around kernel and adjusting ncount\n",loops); mcset_ncount(loops*gpu_innerloop); } else { #endif loops=1; gpu_innerloop = ncount; #ifdef OPENACC } #endif // create particles struct and pointer arrays (same memory used by all batches) _class_particle* particles = malloc(gpu_innerloop*sizeof(_class_particle)); _class_particle* pbuffer = malloc(gpu_innerloop*sizeof(_class_particle)); long livebatchsize = gpu_innerloop; #undef ABSORB0 #undef ABSORB #define ABSORB0 do { DEBUG_ABSORB(); MAGNET_OFF; ABSORBED++; } while(0) #define ABSORB ABSORB0 // outer loop / particle batches for (unsigned long long cloop=0; cloop1) fprintf(stdout, "%d..", (int)cloop); fflush(stdout); // init particles #pragma acc parallel loop present(particles[0:livebatchsize]) for (unsigned long pidx=0 ; pidx < livebatchsize ; pidx++) { // generate particle state, set loop index and seed particles[pidx] = mcgenstate(); _class_particle* _particle = particles + pidx; _particle->_uid = pidx; #ifdef USE_MPI _particle->_uid += mpi_node_rank * ncount; #endif srandom(_hash((pidx+1)*(seed+1))); // _particle->state usage built into srandom macro } // iterate components #pragma acc parallel loop present(particles[0:livebatchsize]) for (unsigned long pidx=0 ; pidx < livebatchsize ; pidx++) { _class_particle* _particle = &particles[pidx]; _class_particle _particle_save; // init if (!ABSORBED && _particle->_index == 1) { _particle->_index++; } // YBaCuO_incoherent if (!ABSORBED && _particle->_index == 2) { _particle->_index++; } // single_crystal_orientation_110_vertical if (!ABSORBED && _particle->_index == 3) { _particle->_index++; } // single_crystal_orientation_001_along_x if (!ABSORBED && _particle->_index == 4) { _particle->_index++; } // YBaCuO_single_crystal if (!ABSORBED && _particle->_index == 5) { #ifndef MULTICORE if (_YBaCuO_single_crystal_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _YBaCuO_single_crystal_var._position_relative),&x, &y, &z); else #endif mccoordschange(_YBaCuO_single_crystal_var._position_relative, _YBaCuO_single_crystal_var._rotation_relative, _particle); _particle_save = *_particle; class_Single_crystal_process_trace(&_YBaCuO_single_crystal_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // YBaCuO if (!ABSORBED && _particle->_index == 6) { _particle->_index++; } // Origin if (!ABSORBED && _particle->_index == 7) { #ifndef MULTICORE if (_Origin_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _Origin_var._position_relative),&x, &y, &z); else #endif mccoordschange(_Origin_var._position_relative, _Origin_var._rotation_relative, _particle); _particle_save = *_particle; class_Progress_bar_trace(&_Origin_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // source if (!ABSORBED && _particle->_index == 8) { #ifndef MULTICORE if (_source_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _source_var._position_relative),&x, &y, &z); else #endif mccoordschange(_source_var._position_relative, _source_var._rotation_relative, _particle); _particle_save = *_particle; class_Source_simple_trace(&_source_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // slit if (!ABSORBED && _particle->_index == 9) { #ifndef MULTICORE if (_slit_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _slit_var._position_relative),&x, &y, &z); else #endif mccoordschange(_slit_var._position_relative, _slit_var._rotation_relative, _particle); _particle_save = *_particle; class_Slit_trace(&_slit_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // cylinder_sample_union if (!ABSORBED && _particle->_index == 10) { _particle->_index++; } #define JUMP_FUNNEL } #ifdef MULTICORE #pragma acc parallel loop device_type(host) #endif for (unsigned long pidx=0 ; pidx < livebatchsize ; pidx++) { _class_particle* _particle = &particles[pidx]; _class_particle _particle_save; // test_sample if (!ABSORBED && _particle->_index == 11) { #ifndef MULTICORE if (_test_sample_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _test_sample_var._position_relative),&x, &y, &z); else #endif mccoordschange(_test_sample_var._position_relative, _test_sample_var._rotation_relative, _particle); _particle_save = *_particle; class_Union_master_trace(&_test_sample_var, _particle); /* contains EXTEND code */ if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } } #pragma acc parallel loop present(particles[0:livebatchsize]) for (unsigned long pidx=0 ; pidx < livebatchsize ; pidx++) { _class_particle* _particle = &particles[pidx]; _class_particle _particle_save; // det if (!ABSORBED && _particle->_index == 12) { #ifndef MULTICORE if (_det_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _det_var._position_relative),&x, &y, &z); else #endif mccoordschange(_det_var._position_relative, _det_var._rotation_relative, _particle); _particle_save = *_particle; if ((( scattered_flag_instr == 1 ))) // conditional WHEN class_PSD_monitor_4PI_trace(&_det_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // Banana_monitor if (!ABSORBED && _particle->_index == 13) { #ifndef MULTICORE if (_Banana_monitor_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _Banana_monitor_var._position_relative),&x, &y, &z); else #endif mccoordschange(_Banana_monitor_var._position_relative, _Banana_monitor_var._rotation_relative, _particle); _particle_save = *_particle; class_Monitor_nD_trace(&_Banana_monitor_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // PSDlin_transmission_scattered if (!ABSORBED && _particle->_index == 14) { #ifndef MULTICORE if (_PSDlin_transmission_scattered_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _PSDlin_transmission_scattered_var._position_relative),&x, &y, &z); else #endif mccoordschange(_PSDlin_transmission_scattered_var._position_relative, _PSDlin_transmission_scattered_var._rotation_relative, _particle); _particle_save = *_particle; if ((( scattered_flag_instr == 1 ))) // conditional WHEN class_PSDlin_monitor_trace(&_PSDlin_transmission_scattered_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // PSDlin_transmission_transmitted if (!ABSORBED && _particle->_index == 15) { #ifndef MULTICORE if (_PSDlin_transmission_transmitted_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _PSDlin_transmission_transmitted_var._position_relative),&x, &y, &z); else #endif mccoordschange(_PSDlin_transmission_transmitted_var._position_relative, _PSDlin_transmission_transmitted_var._rotation_relative, _particle); _particle_save = *_particle; if ((( scattered_flag_instr == 0 ))) // conditional WHEN class_PSDlin_monitor_trace(&_PSDlin_transmission_transmitted_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // stop if (!ABSORBED && _particle->_index == 16) { _particle->_index++; } } // jump to next viable seed seed = seed + gpu_innerloop; } // outer loop / particle batches free(particles); free(pbuffer); printf("\n"); } /* raytrace_all_funnel */ #endif // FUNNEL #undef scattered_flag_instr #undef x #undef y #undef z #undef vx #undef vy #undef vz #undef t #undef sx #undef sy #undef sz #undef p #undef mcgravitation #undef mcMagnet #undef allow_backprop #undef _mctmp_a #undef _mctmp_b #undef _mctmp_c #ifdef OPENACC #undef strlen #undef strcmp #undef exit #undef printf #undef sprintf #undef fprintf #endif #undef SCATTERED #undef RESTORE #undef RESTORE_NEUTRON #undef STORE_NEUTRON #undef ABSORBED #undef ABSORB #undef ABSORB0 /* ***************************************************************************** * instrument 'Laue_camera' and components SAVE ***************************************************************************** */ _class_Progress_bar *class_Progress_bar_save(_class_Progress_bar *_comp ) { #define profile (_comp->_parameters.profile) #define percent (_comp->_parameters.percent) #define flag_save (_comp->_parameters.flag_save) #define minutes (_comp->_parameters.minutes) #define IntermediateCnts (_comp->_parameters.IntermediateCnts) #define StartTime (_comp->_parameters.StartTime) #define EndTime (_comp->_parameters.EndTime) #define CurrentTime (_comp->_parameters.CurrentTime) #define infostring (_comp->_parameters.infostring) SIG_MESSAGE("[_Origin_save] component Origin=Progress_bar() SAVE [Progress_bar:0]"); MPI_MASTER (fprintf (stdout, "\nSave [%s]\n", instrument_name);); if (profile && strlen (profile) && strcmp (profile, "NULL") && strcmp (profile, "0")) { char filename[256]; if (!strlen (profile) || !strcmp (profile, "NULL") || !strcmp (profile, "0")) strcpy (filename, instrument_name); else strcpy (filename, profile); DETECTOR_OUT_1D ("Intensity profiler", "Component index [1]", "Intensity", "prof", 1, mcNUMCOMP, mcNUMCOMP - 1, &(instrument->counter_N[1]), &(instrument->counter_P[1]), &(instrument->counter_P2[1]), filename); } #undef profile #undef percent #undef flag_save #undef minutes #undef IntermediateCnts #undef StartTime #undef EndTime #undef CurrentTime #undef infostring return(_comp); } /* class_Progress_bar_save */ _class_PSD_monitor_4PI *class_PSD_monitor_4PI_save(_class_PSD_monitor_4PI *_comp ) { #define nx (_comp->_parameters.nx) #define ny (_comp->_parameters.ny) #define filename (_comp->_parameters.filename) #define nowritefile (_comp->_parameters.nowritefile) #define radius (_comp->_parameters.radius) #define restore_neutron (_comp->_parameters.restore_neutron) #define PSD_N (_comp->_parameters.PSD_N) #define PSD_p (_comp->_parameters.PSD_p) #define PSD_p2 (_comp->_parameters.PSD_p2) SIG_MESSAGE("[_det_save] component det=PSD_monitor_4PI() SAVE [PSD_monitor_4PI:0]"); if (!nowritefile) { DETECTOR_OUT_2D ("4PI PSD monitor", "Longitude [deg]", "Latitude [deg]", -180, 180, -90, 90, nx, ny, &PSD_N[0][0], &PSD_p[0][0], &PSD_p2[0][0], filename); } #undef nx #undef ny #undef filename #undef nowritefile #undef radius #undef restore_neutron #undef PSD_N #undef PSD_p #undef PSD_p2 return(_comp); } /* class_PSD_monitor_4PI_save */ _class_Monitor_nD *class_Monitor_nD_save(_class_Monitor_nD *_comp ) { #define user1 (_comp->_parameters.user1) #define user2 (_comp->_parameters.user2) #define user3 (_comp->_parameters.user3) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define zdepth (_comp->_parameters.zdepth) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) #define zmin (_comp->_parameters.zmin) #define zmax (_comp->_parameters.zmax) #define bins (_comp->_parameters.bins) #define min (_comp->_parameters.min) #define max (_comp->_parameters.max) #define restore_neutron (_comp->_parameters.restore_neutron) #define radius (_comp->_parameters.radius) #define options (_comp->_parameters.options) #define filename (_comp->_parameters.filename) #define geometry (_comp->_parameters.geometry) #define nowritefile (_comp->_parameters.nowritefile) #define nexus_bins (_comp->_parameters.nexus_bins) #define username1 (_comp->_parameters.username1) #define username2 (_comp->_parameters.username2) #define username3 (_comp->_parameters.username3) #define DEFS (_comp->_parameters.DEFS) #define Vars (_comp->_parameters.Vars) #define detector (_comp->_parameters.detector) #define offdata (_comp->_parameters.offdata) SIG_MESSAGE("[_Banana_monitor_save] component Banana_monitor=Monitor_nD() SAVE [Monitor_nD:0]"); if (!nowritefile) { /* save results, but do not free pointers */ detector = Monitor_nD_Save (&DEFS, &Vars); } #undef user1 #undef user2 #undef user3 #undef xwidth #undef yheight #undef zdepth #undef xmin #undef xmax #undef ymin #undef ymax #undef zmin #undef zmax #undef bins #undef min #undef max #undef restore_neutron #undef radius #undef options #undef filename #undef geometry #undef nowritefile #undef nexus_bins #undef username1 #undef username2 #undef username3 #undef DEFS #undef Vars #undef detector #undef offdata return(_comp); } /* class_Monitor_nD_save */ _class_PSDlin_monitor *class_PSDlin_monitor_save(_class_PSDlin_monitor *_comp ) { #define nbins (_comp->_parameters.nbins) #define filename (_comp->_parameters.filename) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) #define nowritefile (_comp->_parameters.nowritefile) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define restore_neutron (_comp->_parameters.restore_neutron) #define vertical (_comp->_parameters.vertical) #define PSDlin_N (_comp->_parameters.PSDlin_N) #define PSDlin_p (_comp->_parameters.PSDlin_p) #define PSDlin_p2 (_comp->_parameters.PSDlin_p2) SIG_MESSAGE("[_PSDlin_transmission_scattered_save] component PSDlin_transmission_scattered=PSDlin_monitor() SAVE [PSDlin_monitor:0]"); if (!nowritefile) { if (!vertical) { DETECTOR_OUT_1D ("Linear PSD monitor", "x-Position [m]", "Intensity", "x", xmin, xmax, nbins, &PSDlin_N[0], &PSDlin_p[0], &PSDlin_p2[0], filename); } else { DETECTOR_OUT_1D ("Linear PSD monitor", "y-Position [m]", "Intensity", "y", ymin, ymax, nbins, &PSDlin_N[0], &PSDlin_p[0], &PSDlin_p2[0], filename); } } #undef nbins #undef filename #undef xmin #undef xmax #undef ymin #undef ymax #undef nowritefile #undef xwidth #undef yheight #undef restore_neutron #undef vertical #undef PSDlin_N #undef PSDlin_p #undef PSDlin_p2 return(_comp); } /* class_PSDlin_monitor_save */ int save(FILE *handle) { /* called by mccode_main for Laue_camera:SAVE */ if (!handle) siminfo_init(NULL); /* call iteratively all components SAVE */ class_Progress_bar_save(&_Origin_var); class_PSD_monitor_4PI_save(&_det_var); class_Monitor_nD_save(&_Banana_monitor_var); class_PSDlin_monitor_save(&_PSDlin_transmission_scattered_var); class_PSDlin_monitor_save(&_PSDlin_transmission_transmitted_var); if (!handle) siminfo_close(); return(0); } /* save */ /* ***************************************************************************** * instrument 'Laue_camera' and components FINALLY ***************************************************************************** */ _class_Incoherent_process *class_Incoherent_process_finally(_class_Incoherent_process *_comp ) { #define sigma (_comp->_parameters.sigma) #define f_QE (_comp->_parameters.f_QE) #define gamma (_comp->_parameters.gamma) #define packing_factor (_comp->_parameters.packing_factor) #define unit_cell_volume (_comp->_parameters.unit_cell_volume) #define interact_fraction (_comp->_parameters.interact_fraction) #define init (_comp->_parameters.init) #define global_process_element (_comp->_parameters.global_process_element) #define This_process (_comp->_parameters.This_process) #define Incoherent_storage (_comp->_parameters.Incoherent_storage) #define effective_my_scattering (_comp->_parameters.effective_my_scattering) SIG_MESSAGE("[_YBaCuO_incoherent_finally] component YBaCuO_incoherent=Incoherent_process() FINALLY [Incoherent_process:0]"); // Since the process and it's storage is a static allocation, there is nothing to deallocate #undef sigma #undef f_QE #undef gamma #undef packing_factor #undef unit_cell_volume #undef interact_fraction #undef init #undef global_process_element #undef This_process #undef Incoherent_storage #undef effective_my_scattering return(_comp); } /* class_Incoherent_process_finally */ _class_Union_make_material *class_Union_make_material_finally(_class_Union_make_material *_comp ) { #define process_string (_comp->_parameters.process_string) #define my_absorption (_comp->_parameters.my_absorption) #define absorber (_comp->_parameters.absorber) #define refraction_density (_comp->_parameters.refraction_density) #define refraction_sigma_coh (_comp->_parameters.refraction_sigma_coh) #define refraction_weight (_comp->_parameters.refraction_weight) #define refraction_SLD (_comp->_parameters.refraction_SLD) #define init (_comp->_parameters.init) #define global_material_element (_comp->_parameters.global_material_element) #define this_material (_comp->_parameters.this_material) #define loop_index (_comp->_parameters.loop_index) #define found_process (_comp->_parameters.found_process) #define specified_processes (_comp->_parameters.specified_processes) #define local_string (_comp->_parameters.local_string) #define accepted_processes (_comp->_parameters.accepted_processes) SIG_MESSAGE("[_YBaCuO_finally] component YBaCuO=Union_make_material() FINALLY [Union_make_material:0]"); // The elements of the scattering array used static allocation and is thus deallocated automatically if (this_material.number_of_processes > 0) free (this_material.p_scattering_array); if (accepted_processes.num_elements > 0) free (accepted_processes.elements); struct pointer_to_global_geometry_list* global_geometry_list = COMP_GETPAR3 (Union_init, init, global_geometry_list); struct pointer_to_global_master_list* global_master_list = COMP_GETPAR3 (Union_init, init, global_master_list); // Checking if any Union volumes are defined after the master component #ifdef MASTER_DETECTOR #ifdef ANY_GEOMETRY_DETECTOR_DECLARE #ifndef MASTER_DETECTOR_WARNING for (loop_index = 0; loop_index < global_geometry_list->num_elements; loop_index++) { if (global_geometry_list->elements[loop_index].component_index > global_master_list->elements[global_master_list->num_elements - 1].component_index) { printf ("WARNING: No Union_master component defined after Union volume named %s, this components did not affect the simulation in any way.\n", global_geometry_list->elements[loop_index].name); } } // Decided to have this as a warning without exiting the simulation // In order to only show this warning once, the MASTER_DETECTOR_WARNING is defined #define MASTER_DETECTOR_WARNING dummy #endif #endif #endif // Checking if the user remembered to put in a Union_master #ifndef MASTER_DETECTOR #ifdef ANY_GEOMETRY_DETECTOR_DECLARE #ifndef MASTER_DETECTOR_WARNING printf ("\nWARNING: No Union_master component used, these components did not affect the simulation in any way:\n"); for (loop_index = 0; loop_index < global_geometry_list->num_elements; loop_index++) printf (" %s\n", global_geometry_list->elements[loop_index].name); printf ("\n"); // Decided to have this as a warning without exiting the simulation // In order to only show this warning once, the MASTER_DETECTOR_WARNING is defined #define MASTER_DETECTOR_WARNING dummy #endif #endif #endif #undef process_string #undef my_absorption #undef absorber #undef refraction_density #undef refraction_sigma_coh #undef refraction_weight #undef refraction_SLD #undef init #undef global_material_element #undef this_material #undef loop_index #undef found_process #undef specified_processes #undef local_string #undef accepted_processes return(_comp); } /* class_Union_make_material_finally */ _class_Progress_bar *class_Progress_bar_finally(_class_Progress_bar *_comp ) { #define profile (_comp->_parameters.profile) #define percent (_comp->_parameters.percent) #define flag_save (_comp->_parameters.flag_save) #define minutes (_comp->_parameters.minutes) #define IntermediateCnts (_comp->_parameters.IntermediateCnts) #define StartTime (_comp->_parameters.StartTime) #define EndTime (_comp->_parameters.EndTime) #define CurrentTime (_comp->_parameters.CurrentTime) #define infostring (_comp->_parameters.infostring) SIG_MESSAGE("[_Origin_finally] component Origin=Progress_bar() FINALLY [Progress_bar:0]"); time_t NowTime; time (&NowTime); fprintf (stdout, "\nFinally [%s: %s]. Time: ", instrument_name, dirname ? dirname : "."); if (difftime (NowTime, StartTime) < 60.0) fprintf (stdout, "%g [s] ", difftime (NowTime, StartTime)); else if (difftime (NowTime, StartTime) > 3600.0) fprintf (stdout, "%g [h] ", difftime (NowTime, StartTime) / 3600.0); else fprintf (stdout, "%g [min] ", difftime (NowTime, StartTime) / 60.0); fprintf (stdout, "\n"); #undef profile #undef percent #undef flag_save #undef minutes #undef IntermediateCnts #undef StartTime #undef EndTime #undef CurrentTime #undef infostring return(_comp); } /* class_Progress_bar_finally */ _class_Union_master *class_Union_master_finally(_class_Union_master *_comp ) { #define enable_refraction (_comp->_parameters.enable_refraction) #define enable_reflection (_comp->_parameters.enable_reflection) #define verbal (_comp->_parameters.verbal) #define list_verbal (_comp->_parameters.list_verbal) #define finally_verbal (_comp->_parameters.finally_verbal) #define allow_inside_start (_comp->_parameters.allow_inside_start) #define enable_tagging (_comp->_parameters.enable_tagging) #define history_limit (_comp->_parameters.history_limit) #define enable_conditionals (_comp->_parameters.enable_conditionals) #define inherit_number_of_scattering_events (_comp->_parameters.inherit_number_of_scattering_events) #define weight_ratio_limit (_comp->_parameters.weight_ratio_limit) #define init (_comp->_parameters.init) #define global_positions_to_transform_list_master (_comp->_parameters.global_positions_to_transform_list_master) #define global_rotations_to_transform_list_master (_comp->_parameters.global_rotations_to_transform_list_master) #define global_process_list_master (_comp->_parameters.global_process_list_master) #define global_material_list_master (_comp->_parameters.global_material_list_master) #define global_surface_list_master (_comp->_parameters.global_surface_list_master) #define global_geometry_list_master (_comp->_parameters.global_geometry_list_master) #define global_all_volume_logger_list_master (_comp->_parameters.global_all_volume_logger_list_master) #define global_specific_volumes_logger_list_master (_comp->_parameters.global_specific_volumes_logger_list_master) #define global_all_volume_abs_logger_list_master (_comp->_parameters.global_all_volume_abs_logger_list_master) #define global_specific_volumes_abs_logger_list_master (_comp->_parameters.global_specific_volumes_abs_logger_list_master) #define global_tagging_conditional_list_master (_comp->_parameters.global_tagging_conditional_list_master) #define global_master_list_master (_comp->_parameters.global_master_list_master) #define starting_volume_warning (_comp->_parameters.starting_volume_warning) #define global_master_element (_comp->_parameters.global_master_element) #define this_global_master_index (_comp->_parameters.this_global_master_index) #define previous_master_index (_comp->_parameters.previous_master_index) #define geometry_list_index (_comp->_parameters.geometry_list_index) #define intersection_time_table (_comp->_parameters.intersection_time_table) #define Volumes (_comp->_parameters.Volumes) #define Geometries (_comp->_parameters.Geometries) #define Volume_copies (_comp->_parameters.Volume_copies) #define starting_lists (_comp->_parameters.starting_lists) #define Volume_copies_allocated (_comp->_parameters.Volume_copies_allocated) #define r (_comp->_parameters.r) #define r_start (_comp->_parameters.r_start) #define v (_comp->_parameters.v) #define error_msg (_comp->_parameters.error_msg) #define component_error_msg (_comp->_parameters.component_error_msg) #define string_output (_comp->_parameters.string_output) #define number_of_volumes (_comp->_parameters.number_of_volumes) #define volume_index (_comp->_parameters.volume_index) #define process_index (_comp->_parameters.process_index) #define iterator (_comp->_parameters.iterator) #define solutions (_comp->_parameters.solutions) #define max_number_of_processes (_comp->_parameters.max_number_of_processes) #define limit (_comp->_parameters.limit) #define solution (_comp->_parameters.solution) #define min_solution (_comp->_parameters.min_solution) #define ignore_closest (_comp->_parameters.ignore_closest) #define ignore_surface_index (_comp->_parameters.ignore_surface_index) #define min_volume (_comp->_parameters.min_volume) #define time_found (_comp->_parameters.time_found) #define intersection_time (_comp->_parameters.intersection_time) #define min_intersection_time (_comp->_parameters.min_intersection_time) #define process (_comp->_parameters.process) #define process_start (_comp->_parameters.process_start) #define my_trace (_comp->_parameters.my_trace) #define p_my_trace (_comp->_parameters.p_my_trace) #define my_trace_fraction_control (_comp->_parameters.my_trace_fraction_control) #define k (_comp->_parameters.k) #define k_new (_comp->_parameters.k_new) #define k_old (_comp->_parameters.k_old) #define k_rotated (_comp->_parameters.k_rotated) #define v_length (_comp->_parameters.v_length) #define my_sum (_comp->_parameters.my_sum) #define my_sum_plus_abs (_comp->_parameters.my_sum_plus_abs) #define culmative_probability (_comp->_parameters.culmative_probability) #define mc_prop (_comp->_parameters.mc_prop) #define time_to_scattering (_comp->_parameters.time_to_scattering) #define length_to_scattering (_comp->_parameters.length_to_scattering) #define length_to_boundary (_comp->_parameters.length_to_boundary) #define time_to_boundery (_comp->_parameters.time_to_boundery) #define selected_process (_comp->_parameters.selected_process) #define scattering_event (_comp->_parameters.scattering_event) #define time_propagated_without_scattering (_comp->_parameters.time_propagated_without_scattering) #define a_next_volume_found (_comp->_parameters.a_next_volume_found) #define next_volume (_comp->_parameters.next_volume) #define next_volume_priority (_comp->_parameters.next_volume_priority) #define done (_comp->_parameters.done) #define current_volume (_comp->_parameters.current_volume) #define previous_volume (_comp->_parameters.previous_volume) #define ray_sucseeded (_comp->_parameters.ray_sucseeded) #define number_of_solutions (_comp->_parameters.number_of_solutions) #define number_of_solutions_static (_comp->_parameters.number_of_solutions_static) #define check (_comp->_parameters.check) #define start (_comp->_parameters.start) #define intersection_with_children (_comp->_parameters.intersection_with_children) #define geometry_output (_comp->_parameters.geometry_output) #define tree_next_volume (_comp->_parameters.tree_next_volume) #define pre_allocated1 (_comp->_parameters.pre_allocated1) #define pre_allocated2 (_comp->_parameters.pre_allocated2) #define pre_allocated3 (_comp->_parameters.pre_allocated3) #define ray_position (_comp->_parameters.ray_position) #define ray_velocity (_comp->_parameters.ray_velocity) #define ray_velocity_rotated (_comp->_parameters.ray_velocity_rotated) #define ray_velocity_final (_comp->_parameters.ray_velocity_final) #define wavevector (_comp->_parameters.wavevector) #define wavevector_rotated (_comp->_parameters.wavevector_rotated) #define volume_0_found (_comp->_parameters.volume_0_found) #define scattered_flag (_comp->_parameters.scattered_flag) #define scattered_flag_VP (_comp->_parameters.scattered_flag_VP) #define master_transposed_rotation_matrix (_comp->_parameters.master_transposed_rotation_matrix) #define temp_rotation_matrix (_comp->_parameters.temp_rotation_matrix) #define temp_transpose_rotation_matrix (_comp->_parameters.temp_transpose_rotation_matrix) #define non_rotated_position (_comp->_parameters.non_rotated_position) #define rotated_position (_comp->_parameters.rotated_position) #define non_isotropic_found (_comp->_parameters.non_isotropic_found) #define master_tagging_node_list (_comp->_parameters.master_tagging_node_list) #define current_tagging_node (_comp->_parameters.current_tagging_node) #define tagging_leaf_counter (_comp->_parameters.tagging_leaf_counter) #define stop_tagging_ray (_comp->_parameters.stop_tagging_ray) #define stop_creating_nodes (_comp->_parameters.stop_creating_nodes) #define number_of_scattering_events (_comp->_parameters.number_of_scattering_events) #define real_transmission_probability (_comp->_parameters.real_transmission_probability) #define mc_transmission_probability (_comp->_parameters.mc_transmission_probability) #define number_of_process_interacts_set (_comp->_parameters.number_of_process_interacts_set) #define index_of_lacking_process (_comp->_parameters.index_of_lacking_process) #define total_process_interact (_comp->_parameters.total_process_interact) #define geometry_component_index_list (_comp->_parameters.geometry_component_index_list) #define mask_volume_index_list (_comp->_parameters.mask_volume_index_list) #define number_of_masks (_comp->_parameters.number_of_masks) #define number_of_masked_volumes (_comp->_parameters.number_of_masked_volumes) #define mask_status_list (_comp->_parameters.mask_status_list) #define current_mask_intersect_list_status (_comp->_parameters.current_mask_intersect_list_status) #define mask_index_main (_comp->_parameters.mask_index_main) #define mask_iterator (_comp->_parameters.mask_iterator) #define mask_start (_comp->_parameters.mask_start) #define mask_check (_comp->_parameters.mask_check) #define need_to_run_within_which_volume (_comp->_parameters.need_to_run_within_which_volume) #define number_of_processes_array (_comp->_parameters.number_of_processes_array) #define p_old (_comp->_parameters.p_old) #define log_index (_comp->_parameters.log_index) #define conditional_status (_comp->_parameters.conditional_status) #define this_logger (_comp->_parameters.this_logger) #define this_abs_logger (_comp->_parameters.this_abs_logger) #define tagging_conditional_list (_comp->_parameters.tagging_conditional_list) #define logger_conditional_extend_array (_comp->_parameters.logger_conditional_extend_array) #define abs_logger_conditional_extend_array (_comp->_parameters.abs_logger_conditional_extend_array) #define max_conditional_extend_index (_comp->_parameters.max_conditional_extend_index) #define tagging_conditional_extend (_comp->_parameters.tagging_conditional_extend) #define free_tagging_conditioanl_list (_comp->_parameters.free_tagging_conditioanl_list) #define safety_distance (_comp->_parameters.safety_distance) #define safety_distance2 (_comp->_parameters.safety_distance2) #define temporary_focus_data (_comp->_parameters.temporary_focus_data) #define this_focus_data (_comp->_parameters.this_focus_data) #define focus_data_index (_comp->_parameters.focus_data_index) #define r_old (_comp->_parameters.r_old) #define initial_weight (_comp->_parameters.initial_weight) #define abs_weight_factor (_comp->_parameters.abs_weight_factor) #define time_old (_comp->_parameters.time_old) #define absorption_index (_comp->_parameters.absorption_index) #define abs_weight_factor_set (_comp->_parameters.abs_weight_factor_set) #define my_abs (_comp->_parameters.my_abs) #define absorption_event_data (_comp->_parameters.absorption_event_data) #define abs_position (_comp->_parameters.abs_position) #define transformed_abs_position (_comp->_parameters.transformed_abs_position) #define t_abs_propagation (_comp->_parameters.t_abs_propagation) #define abs_distance (_comp->_parameters.abs_distance) #define abs_max_length (_comp->_parameters.abs_max_length) #define longest_surface_stack (_comp->_parameters.longest_surface_stack) #define interface_stack (_comp->_parameters.interface_stack) SIG_MESSAGE("[_test_sample_finally] component test_sample=Union_master() FINALLY [Union_master:0]"); // write out histories from tagging system if enabled if (enable_tagging) { if (finally_verbal) printf ("Writing tagging tree to disk \n"); if (finally_verbal) printf ("Number of leafs = %d \n", tagging_leaf_counter); // While writing the tagging tree to disk, all the leafs are deallocated write_tagging_tree (&master_tagging_node_list, Volumes, tagging_leaf_counter, number_of_volumes); } if (master_tagging_node_list.num_elements > 0) free (master_tagging_node_list.elements); if (finally_verbal) printf ("Freeing variables which are always allocated \n"); // free allocated arrays specific to this master union component free (scattered_flag); free (my_trace); free (my_trace_fraction_control); free (pre_allocated1); free (pre_allocated2); free (pre_allocated3); free (number_of_processes_array); free (Geometries); if (finally_verbal) printf ("Freeing intersection_time_table \n"); for (iterator = 1; iterator < intersection_time_table.num_volumes; iterator++) { free (intersection_time_table.intersection_times[iterator]); free (intersection_time_table.normal_vector_x[iterator]); free (intersection_time_table.normal_vector_y[iterator]); free (intersection_time_table.normal_vector_z[iterator]); free (intersection_time_table.surface_index[iterator]); } free (intersection_time_table.n_elements); free (intersection_time_table.calculated); free (intersection_time_table.intersection_times); free (intersection_time_table.normal_vector_x); free (intersection_time_table.normal_vector_y); free (intersection_time_table.normal_vector_z); free (intersection_time_table.surface_index); if (free_tagging_conditioanl_list == 1) free (tagging_conditional_list); if (finally_verbal) printf ("Freeing lists for individual volumes \n"); for (volume_index = 0; volume_index < number_of_volumes; volume_index++) { if (finally_verbal) printf (" Freeing geometry\n"); if (Volumes[volume_index]->geometry.intersect_check_list.num_elements > 0) free (Volumes[volume_index]->geometry.intersect_check_list.elements); if (Volumes[volume_index]->geometry.destinations_list.num_elements > 0) free (Volumes[volume_index]->geometry.destinations_list.elements); if (Volumes[volume_index]->geometry.reduced_destinations_list.num_elements > 0) free (Volumes[volume_index]->geometry.reduced_destinations_list.elements); if (Volumes[volume_index]->geometry.children.num_elements > 0) free (Volumes[volume_index]->geometry.children.elements); if (Volumes[volume_index]->geometry.direct_children.num_elements > 0) free (Volumes[volume_index]->geometry.direct_children.elements); if (Volumes[volume_index]->geometry.masked_by_list.num_elements > 0) free (Volumes[volume_index]->geometry.masked_by_list.elements); if (Volumes[volume_index]->geometry.masked_by_mask_index_list.num_elements > 0) free (Volumes[volume_index]->geometry.masked_by_mask_index_list.elements); if (Volumes[volume_index]->geometry.mask_list.num_elements > 0) free (Volumes[volume_index]->geometry.mask_list.elements); if (Volumes[volume_index]->geometry.mask_intersect_list.num_elements > 0) free (Volumes[volume_index]->geometry.mask_intersect_list.elements); if (Volumes[volume_index]->geometry.next_volume_list.num_elements > 0) free (Volumes[volume_index]->geometry.next_volume_list.elements); if (finally_verbal) printf (" Freeing physics\n"); if (volume_index > 0) { // Volume 0 does not have physical properties allocated free (scattered_flag_VP[volume_index]); if (Volumes[volume_index]->geometry.process_rot_allocated == 1) { free (Volumes[volume_index]->geometry.process_rot_matrix_array); free (Volumes[volume_index]->geometry.transpose_process_rot_matrix_array); Volumes[volume_index]->geometry.process_rot_allocated = 0; } if (on_int_list (Volume_copies_allocated, volume_index)) { // This is a local copy of a volume, deallocate that local copy (all the allocated memory attachted to it was just deallocated, so this should not leave // any leaks) free (Volumes[volume_index]); } else { // Only free p_physics for vacuum volumes for the original at the end (there is a p_physics allocated for each vacuum volume) if (Volumes[volume_index]->p_physics->is_vacuum == 1) free (Volumes[volume_index]->p_physics); } } if (finally_verbal) printf (" Freeing loggers\n"); if (Volumes[volume_index]->loggers.num_elements > 0) { for (iterator = 0; iterator < Volumes[volume_index]->loggers.num_elements; iterator++) { free (Volumes[volume_index]->loggers.p_logger_volume[iterator].p_logger_process); } free (Volumes[volume_index]->loggers.p_logger_volume); } if (finally_verbal) printf (" Freeing abs_loggers\n"); if (Volumes[volume_index]->abs_loggers.num_elements > 0) { free (Volumes[volume_index]->abs_loggers.p_abs_logger); } if (finally_verbal) printf (" Freeing Volumes[index]\n"); // free(Volumes[volume_index]); // Not able to free // if (finally_verbal) printf(" Managed to free Volumes[index]\n"); } free (scattered_flag_VP); if (finally_verbal) printf ("Freeing starting lists \n"); if (starting_lists.allowed_starting_volume_logic_list.num_elements > 0) free (starting_lists.allowed_starting_volume_logic_list.elements); if (starting_lists.reduced_start_list.num_elements > 0) free (starting_lists.reduced_start_list.elements); if (starting_lists.start_logic_list.num_elements > 0) free (starting_lists.start_logic_list.elements); if (finally_verbal) printf ("Freeing mask lists \n"); if (mask_status_list.num_elements > 0) free (mask_status_list.elements); if (current_mask_intersect_list_status.num_elements > 0) free (current_mask_intersect_list_status.elements); if (mask_volume_index_list.num_elements > 0) free (mask_volume_index_list.elements); if (finally_verbal) printf ("Freeing component index list \n"); if (geometry_component_index_list.num_elements > 0) free (geometry_component_index_list.elements); if (finally_verbal) printf ("Freeing Volumes \n"); free (Volumes); if (interface_stack.number_of_surfaces > 0) free (interface_stack.p_surface_array); // Free global allocated arrays if this is the last master union component in the instrument file if (global_master_list_master->elements[global_master_list_master->num_elements - 1].component_index == INDEX_CURRENT_COMP) { if (finally_verbal) printf ("Freeing global arrays because this is the last Union master component\n"); // Freeing lists allocated in Union_initialization if (finally_verbal) printf ("Freeing global process list \n"); if (global_process_list_master->num_elements > 0) free (global_process_list_master->elements); if (finally_verbal) printf ("Freeing global material list \n"); if (global_material_list_master->num_elements > 0) free (global_material_list_master->elements); if (finally_verbal) printf ("Freeing global surface list \n"); if (global_surface_list_master->num_elements > 0) free (global_surface_list_master->elements); if (finally_verbal) printf ("Freeing global geometry list \n"); if (global_geometry_list_master->num_elements > 0) free (global_geometry_list_master->elements); if (finally_verbal) printf ("Freeing global master list \n"); if (global_master_list_master->num_elements > 0) free (global_master_list_master->elements); if (finally_verbal) printf ("Freeing global logger lists \n"); for (iterator = 0; iterator < global_all_volume_logger_list_master->num_elements; iterator++) { if (global_all_volume_logger_list_master->elements[iterator].logger->conditional_list.num_elements > 0) { free (global_all_volume_logger_list_master->elements[iterator].logger->conditional_list.conditional_functions); free (global_all_volume_logger_list_master->elements[iterator].logger->conditional_list.p_data_unions); } } if (global_all_volume_logger_list_master->num_elements > 0) free (global_all_volume_logger_list_master->elements); for (iterator = 0; iterator < global_specific_volumes_logger_list_master->num_elements; iterator++) { if (global_specific_volumes_logger_list_master->elements[iterator].logger->conditional_list.num_elements > 0) { free (global_specific_volumes_logger_list_master->elements[iterator].logger->conditional_list.conditional_functions); free (global_specific_volumes_logger_list_master->elements[iterator].logger->conditional_list.p_data_unions); } } if (global_specific_volumes_logger_list_master->num_elements > 0) free (global_specific_volumes_logger_list_master->elements); if (finally_verbal) printf ("Freeing global abs logger lists \n"); for (iterator = 0; iterator < global_all_volume_abs_logger_list_master->num_elements; iterator++) { if (global_all_volume_abs_logger_list_master->elements[iterator].abs_logger->conditional_list.num_elements > 0) { free (global_all_volume_abs_logger_list_master->elements[iterator].abs_logger->conditional_list.conditional_functions); free (global_all_volume_abs_logger_list_master->elements[iterator].abs_logger->conditional_list.p_data_unions); } } if (global_all_volume_abs_logger_list_master->num_elements > 0) free (global_all_volume_abs_logger_list_master->elements); for (iterator = 0; iterator < global_specific_volumes_abs_logger_list_master->num_elements; iterator++) { if (global_specific_volumes_abs_logger_list_master->elements[iterator].abs_logger->conditional_list.num_elements > 0) { free (global_specific_volumes_abs_logger_list_master->elements[iterator].abs_logger->conditional_list.conditional_functions); free (global_specific_volumes_abs_logger_list_master->elements[iterator].abs_logger->conditional_list.p_data_unions); } } if (global_specific_volumes_abs_logger_list_master->num_elements > 0) free (global_specific_volumes_abs_logger_list_master->elements); if (finally_verbal) printf ("Freeing global tagging conditional lists \n"); for (iterator = 0; iterator < global_tagging_conditional_list_master->num_elements; iterator++) { if (global_tagging_conditional_list_master->elements[iterator].conditional_list.num_elements > 0) { free (global_tagging_conditional_list_master->elements[iterator].conditional_list.conditional_functions); free (global_tagging_conditional_list_master->elements[iterator].conditional_list.p_data_unions); } } if (global_tagging_conditional_list_master->num_elements > 0) free (global_tagging_conditional_list_master->elements); } #undef enable_refraction #undef enable_reflection #undef verbal #undef list_verbal #undef finally_verbal #undef allow_inside_start #undef enable_tagging #undef history_limit #undef enable_conditionals #undef inherit_number_of_scattering_events #undef weight_ratio_limit #undef init #undef global_positions_to_transform_list_master #undef global_rotations_to_transform_list_master #undef global_process_list_master #undef global_material_list_master #undef global_surface_list_master #undef global_geometry_list_master #undef global_all_volume_logger_list_master #undef global_specific_volumes_logger_list_master #undef global_all_volume_abs_logger_list_master #undef global_specific_volumes_abs_logger_list_master #undef global_tagging_conditional_list_master #undef global_master_list_master #undef starting_volume_warning #undef global_master_element #undef this_global_master_index #undef previous_master_index #undef geometry_list_index #undef intersection_time_table #undef Volumes #undef Geometries #undef Volume_copies #undef starting_lists #undef Volume_copies_allocated #undef r #undef r_start #undef v #undef error_msg #undef component_error_msg #undef string_output #undef number_of_volumes #undef volume_index #undef process_index #undef iterator #undef solutions #undef max_number_of_processes #undef limit #undef solution #undef min_solution #undef ignore_closest #undef ignore_surface_index #undef min_volume #undef time_found #undef intersection_time #undef min_intersection_time #undef process #undef process_start #undef my_trace #undef p_my_trace #undef my_trace_fraction_control #undef k #undef k_new #undef k_old #undef k_rotated #undef v_length #undef my_sum #undef my_sum_plus_abs #undef culmative_probability #undef mc_prop #undef time_to_scattering #undef length_to_scattering #undef length_to_boundary #undef time_to_boundery #undef selected_process #undef scattering_event #undef time_propagated_without_scattering #undef a_next_volume_found #undef next_volume #undef next_volume_priority #undef done #undef current_volume #undef previous_volume #undef ray_sucseeded #undef number_of_solutions #undef number_of_solutions_static #undef check #undef start #undef intersection_with_children #undef geometry_output #undef tree_next_volume #undef pre_allocated1 #undef pre_allocated2 #undef pre_allocated3 #undef ray_position #undef ray_velocity #undef ray_velocity_rotated #undef ray_velocity_final #undef wavevector #undef wavevector_rotated #undef volume_0_found #undef scattered_flag #undef scattered_flag_VP #undef master_transposed_rotation_matrix #undef temp_rotation_matrix #undef temp_transpose_rotation_matrix #undef non_rotated_position #undef rotated_position #undef non_isotropic_found #undef master_tagging_node_list #undef current_tagging_node #undef tagging_leaf_counter #undef stop_tagging_ray #undef stop_creating_nodes #undef number_of_scattering_events #undef real_transmission_probability #undef mc_transmission_probability #undef number_of_process_interacts_set #undef index_of_lacking_process #undef total_process_interact #undef geometry_component_index_list #undef mask_volume_index_list #undef number_of_masks #undef number_of_masked_volumes #undef mask_status_list #undef current_mask_intersect_list_status #undef mask_index_main #undef mask_iterator #undef mask_start #undef mask_check #undef need_to_run_within_which_volume #undef number_of_processes_array #undef p_old #undef log_index #undef conditional_status #undef this_logger #undef this_abs_logger #undef tagging_conditional_list #undef logger_conditional_extend_array #undef abs_logger_conditional_extend_array #undef max_conditional_extend_index #undef tagging_conditional_extend #undef free_tagging_conditioanl_list #undef safety_distance #undef safety_distance2 #undef temporary_focus_data #undef this_focus_data #undef focus_data_index #undef r_old #undef initial_weight #undef abs_weight_factor #undef time_old #undef absorption_index #undef abs_weight_factor_set #undef my_abs #undef absorption_event_data #undef abs_position #undef transformed_abs_position #undef t_abs_propagation #undef abs_distance #undef abs_max_length #undef longest_surface_stack #undef interface_stack return(_comp); } /* class_Union_master_finally */ _class_PSD_monitor_4PI *class_PSD_monitor_4PI_finally(_class_PSD_monitor_4PI *_comp ) { #define nx (_comp->_parameters.nx) #define ny (_comp->_parameters.ny) #define filename (_comp->_parameters.filename) #define nowritefile (_comp->_parameters.nowritefile) #define radius (_comp->_parameters.radius) #define restore_neutron (_comp->_parameters.restore_neutron) #define PSD_N (_comp->_parameters.PSD_N) #define PSD_p (_comp->_parameters.PSD_p) #define PSD_p2 (_comp->_parameters.PSD_p2) SIG_MESSAGE("[_det_finally] component det=PSD_monitor_4PI() FINALLY [PSD_monitor_4PI:0]"); destroy_darr2d (PSD_N); destroy_darr2d (PSD_p); destroy_darr2d (PSD_p2); #undef nx #undef ny #undef filename #undef nowritefile #undef radius #undef restore_neutron #undef PSD_N #undef PSD_p #undef PSD_p2 return(_comp); } /* class_PSD_monitor_4PI_finally */ _class_Monitor_nD *class_Monitor_nD_finally(_class_Monitor_nD *_comp ) { #define user1 (_comp->_parameters.user1) #define user2 (_comp->_parameters.user2) #define user3 (_comp->_parameters.user3) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define zdepth (_comp->_parameters.zdepth) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) #define zmin (_comp->_parameters.zmin) #define zmax (_comp->_parameters.zmax) #define bins (_comp->_parameters.bins) #define min (_comp->_parameters.min) #define max (_comp->_parameters.max) #define restore_neutron (_comp->_parameters.restore_neutron) #define radius (_comp->_parameters.radius) #define options (_comp->_parameters.options) #define filename (_comp->_parameters.filename) #define geometry (_comp->_parameters.geometry) #define nowritefile (_comp->_parameters.nowritefile) #define nexus_bins (_comp->_parameters.nexus_bins) #define username1 (_comp->_parameters.username1) #define username2 (_comp->_parameters.username2) #define username3 (_comp->_parameters.username3) #define DEFS (_comp->_parameters.DEFS) #define Vars (_comp->_parameters.Vars) #define detector (_comp->_parameters.detector) #define offdata (_comp->_parameters.offdata) SIG_MESSAGE("[_Banana_monitor_finally] component Banana_monitor=Monitor_nD() FINALLY [Monitor_nD:0]"); /* free pointers */ Monitor_nD_Finally (&DEFS, &Vars); #undef user1 #undef user2 #undef user3 #undef xwidth #undef yheight #undef zdepth #undef xmin #undef xmax #undef ymin #undef ymax #undef zmin #undef zmax #undef bins #undef min #undef max #undef restore_neutron #undef radius #undef options #undef filename #undef geometry #undef nowritefile #undef nexus_bins #undef username1 #undef username2 #undef username3 #undef DEFS #undef Vars #undef detector #undef offdata return(_comp); } /* class_Monitor_nD_finally */ _class_PSDlin_monitor *class_PSDlin_monitor_finally(_class_PSDlin_monitor *_comp ) { #define nbins (_comp->_parameters.nbins) #define filename (_comp->_parameters.filename) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) #define nowritefile (_comp->_parameters.nowritefile) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define restore_neutron (_comp->_parameters.restore_neutron) #define vertical (_comp->_parameters.vertical) #define PSDlin_N (_comp->_parameters.PSDlin_N) #define PSDlin_p (_comp->_parameters.PSDlin_p) #define PSDlin_p2 (_comp->_parameters.PSDlin_p2) SIG_MESSAGE("[_PSDlin_transmission_scattered_finally] component PSDlin_transmission_scattered=PSDlin_monitor() FINALLY [PSDlin_monitor:0]"); destroy_darr1d (PSDlin_N); destroy_darr1d (PSDlin_p); destroy_darr1d (PSDlin_p2); #undef nbins #undef filename #undef xmin #undef xmax #undef ymin #undef ymax #undef nowritefile #undef xwidth #undef yheight #undef restore_neutron #undef vertical #undef PSDlin_N #undef PSDlin_p #undef PSDlin_p2 return(_comp); } /* class_PSDlin_monitor_finally */ int finally(void) { /* called by mccode_main for Laue_camera:FINALLY */ #pragma acc update host(_init_var) #pragma acc update host(_YBaCuO_incoherent_var) #pragma acc update host(_single_crystal_orientation_110_vertical_var) #pragma acc update host(_single_crystal_orientation_001_along_x_var) #pragma acc update host(_YBaCuO_single_crystal_var) #pragma acc update host(_YBaCuO_var) #pragma acc update host(_Origin_var) #pragma acc update host(_source_var) #pragma acc update host(_slit_var) #pragma acc update host(_cylinder_sample_union_var) #pragma acc update host(_test_sample_var) #pragma acc update host(_det_var) #pragma acc update host(_Banana_monitor_var) #pragma acc update host(_PSDlin_transmission_scattered_var) #pragma acc update host(_PSDlin_transmission_transmitted_var) #pragma acc update host(_stop_var) #pragma acc update host(_instrument_var) siminfo_init(NULL); save(siminfo_file); /* save data when simulation ends */ /* call iteratively all components FINALLY */ class_Incoherent_process_finally(&_YBaCuO_incoherent_var); class_Union_make_material_finally(&_YBaCuO_var); class_Progress_bar_finally(&_Origin_var); class_Union_master_finally(&_test_sample_var); class_PSD_monitor_4PI_finally(&_det_var); class_Monitor_nD_finally(&_Banana_monitor_var); class_PSDlin_monitor_finally(&_PSDlin_transmission_scattered_var); class_PSDlin_monitor_finally(&_PSDlin_transmission_transmitted_var); siminfo_close(); return(0); } /* finally */ /* ***************************************************************************** * instrument 'Laue_camera' and components DISPLAY ***************************************************************************** */ #define magnify mcdis_magnify #define line mcdis_line #define dashed_line mcdis_dashed_line #define multiline mcdis_multiline #define rectangle mcdis_rectangle #define box mcdis_box #define circle mcdis_circle #define cylinder mcdis_cylinder #define sphere mcdis_sphere #define cone mcdis_cone #define polygon mcdis_polygon #define polyhedron mcdis_polyhedron _class_Arm *class_Arm_display(_class_Arm *_comp ) { SIG_MESSAGE("[_single_crystal_orientation_110_vertical_display] component single_crystal_orientation_110_vertical=Arm() DISPLAY [Arm:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); /* A bit ugly; hard-coded dimensions. */ line (0, 0, 0, 0.2, 0, 0); line (0, 0, 0, 0, 0.2, 0); line (0, 0, 0, 0, 0, 0.2); cone (0.2, 0, 0, 0.01, 0.02, 1, 0, 0); cone (0, 0.2, 0, 0.01, 0.02, 0, 1, 0); cone (0, 0, 0.2, 0.01, 0.02, 0, 0, 1); return(_comp); } /* class_Arm_display */ _class_Progress_bar *class_Progress_bar_display(_class_Progress_bar *_comp ) { #define profile (_comp->_parameters.profile) #define percent (_comp->_parameters.percent) #define flag_save (_comp->_parameters.flag_save) #define minutes (_comp->_parameters.minutes) #define IntermediateCnts (_comp->_parameters.IntermediateCnts) #define StartTime (_comp->_parameters.StartTime) #define EndTime (_comp->_parameters.EndTime) #define CurrentTime (_comp->_parameters.CurrentTime) #define infostring (_comp->_parameters.infostring) SIG_MESSAGE("[_Origin_display] component Origin=Progress_bar() DISPLAY [Progress_bar:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); #undef profile #undef percent #undef flag_save #undef minutes #undef IntermediateCnts #undef StartTime #undef EndTime #undef CurrentTime #undef infostring return(_comp); } /* class_Progress_bar_display */ _class_Source_simple *class_Source_simple_display(_class_Source_simple *_comp ) { #define radius (_comp->_parameters.radius) #define yheight (_comp->_parameters.yheight) #define xwidth (_comp->_parameters.xwidth) #define dist (_comp->_parameters.dist) #define focus_xw (_comp->_parameters.focus_xw) #define focus_yh (_comp->_parameters.focus_yh) #define E0 (_comp->_parameters.E0) #define dE (_comp->_parameters.dE) #define lambda0 (_comp->_parameters.lambda0) #define dlambda (_comp->_parameters.dlambda) #define flux (_comp->_parameters.flux) #define gauss (_comp->_parameters.gauss) #define target_index (_comp->_parameters.target_index) #define pmul (_comp->_parameters.pmul) #define srcArea (_comp->_parameters.srcArea) #define square (_comp->_parameters.square) #define tx (_comp->_parameters.tx) #define ty (_comp->_parameters.ty) #define tz (_comp->_parameters.tz) SIG_MESSAGE("[_source_display] component source=Source_simple() DISPLAY [Source_simple:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); if (square == 1) { rectangle("xy",0,0,0,xwidth,yheight); } else { circle("xy",0,0,0,radius); } if (dist) { dashed_line(0,0,0, -focus_xw/2+tx,-focus_yh/2+ty,tz, 4); dashed_line(0,0,0, focus_xw/2+tx,-focus_yh/2+ty,tz, 4); dashed_line(0,0,0, focus_xw/2+tx, focus_yh/2+ty,tz, 4); dashed_line(0,0,0, -focus_xw/2+tx, focus_yh/2+ty,tz, 4); } #undef radius #undef yheight #undef xwidth #undef dist #undef focus_xw #undef focus_yh #undef E0 #undef dE #undef lambda0 #undef dlambda #undef flux #undef gauss #undef target_index #undef pmul #undef srcArea #undef square #undef tx #undef ty #undef tz return(_comp); } /* class_Source_simple_display */ _class_Slit *class_Slit_display(_class_Slit *_comp ) { #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) #define radius (_comp->_parameters.radius) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define isradial (_comp->_parameters.isradial) SIG_MESSAGE("[_slit_display] component slit=Slit() DISPLAY [Slit:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); if (is_unset (radius)) { double xw, yh; xw = (xmax - xmin) / 2.0; yh = (ymax - ymin) / 2.0; multiline (3, xmin - xw, (double)ymax, 0.0, (double)xmin, (double)ymax, 0.0, (double)xmin, ymax + yh, 0.0); multiline (3, xmax + xw, (double)ymax, 0.0, (double)xmax, (double)ymax, 0.0, (double)xmax, ymax + yh, 0.0); multiline (3, xmin - xw, (double)ymin, 0.0, (double)xmin, (double)ymin, 0.0, (double)xmin, ymin - yh, 0.0); multiline (3, xmax + xw, (double)ymin, 0.0, (double)xmax, (double)ymin, 0.0, (double)xmax, ymin - yh, 0.0); } else { circle ("xy", 0, 0, 0, radius); } #undef xmin #undef xmax #undef ymin #undef ymax #undef radius #undef xwidth #undef yheight #undef isradial return(_comp); } /* class_Slit_display */ _class_Union_master *class_Union_master_display(_class_Union_master *_comp ) { #define enable_refraction (_comp->_parameters.enable_refraction) #define enable_reflection (_comp->_parameters.enable_reflection) #define verbal (_comp->_parameters.verbal) #define list_verbal (_comp->_parameters.list_verbal) #define finally_verbal (_comp->_parameters.finally_verbal) #define allow_inside_start (_comp->_parameters.allow_inside_start) #define enable_tagging (_comp->_parameters.enable_tagging) #define history_limit (_comp->_parameters.history_limit) #define enable_conditionals (_comp->_parameters.enable_conditionals) #define inherit_number_of_scattering_events (_comp->_parameters.inherit_number_of_scattering_events) #define weight_ratio_limit (_comp->_parameters.weight_ratio_limit) #define init (_comp->_parameters.init) #define global_positions_to_transform_list_master (_comp->_parameters.global_positions_to_transform_list_master) #define global_rotations_to_transform_list_master (_comp->_parameters.global_rotations_to_transform_list_master) #define global_process_list_master (_comp->_parameters.global_process_list_master) #define global_material_list_master (_comp->_parameters.global_material_list_master) #define global_surface_list_master (_comp->_parameters.global_surface_list_master) #define global_geometry_list_master (_comp->_parameters.global_geometry_list_master) #define global_all_volume_logger_list_master (_comp->_parameters.global_all_volume_logger_list_master) #define global_specific_volumes_logger_list_master (_comp->_parameters.global_specific_volumes_logger_list_master) #define global_all_volume_abs_logger_list_master (_comp->_parameters.global_all_volume_abs_logger_list_master) #define global_specific_volumes_abs_logger_list_master (_comp->_parameters.global_specific_volumes_abs_logger_list_master) #define global_tagging_conditional_list_master (_comp->_parameters.global_tagging_conditional_list_master) #define global_master_list_master (_comp->_parameters.global_master_list_master) #define starting_volume_warning (_comp->_parameters.starting_volume_warning) #define global_master_element (_comp->_parameters.global_master_element) #define this_global_master_index (_comp->_parameters.this_global_master_index) #define previous_master_index (_comp->_parameters.previous_master_index) #define geometry_list_index (_comp->_parameters.geometry_list_index) #define intersection_time_table (_comp->_parameters.intersection_time_table) #define Volumes (_comp->_parameters.Volumes) #define Geometries (_comp->_parameters.Geometries) #define Volume_copies (_comp->_parameters.Volume_copies) #define starting_lists (_comp->_parameters.starting_lists) #define Volume_copies_allocated (_comp->_parameters.Volume_copies_allocated) #define r (_comp->_parameters.r) #define r_start (_comp->_parameters.r_start) #define v (_comp->_parameters.v) #define error_msg (_comp->_parameters.error_msg) #define component_error_msg (_comp->_parameters.component_error_msg) #define string_output (_comp->_parameters.string_output) #define number_of_volumes (_comp->_parameters.number_of_volumes) #define volume_index (_comp->_parameters.volume_index) #define process_index (_comp->_parameters.process_index) #define iterator (_comp->_parameters.iterator) #define solutions (_comp->_parameters.solutions) #define max_number_of_processes (_comp->_parameters.max_number_of_processes) #define limit (_comp->_parameters.limit) #define solution (_comp->_parameters.solution) #define min_solution (_comp->_parameters.min_solution) #define ignore_closest (_comp->_parameters.ignore_closest) #define ignore_surface_index (_comp->_parameters.ignore_surface_index) #define min_volume (_comp->_parameters.min_volume) #define time_found (_comp->_parameters.time_found) #define intersection_time (_comp->_parameters.intersection_time) #define min_intersection_time (_comp->_parameters.min_intersection_time) #define process (_comp->_parameters.process) #define process_start (_comp->_parameters.process_start) #define my_trace (_comp->_parameters.my_trace) #define p_my_trace (_comp->_parameters.p_my_trace) #define my_trace_fraction_control (_comp->_parameters.my_trace_fraction_control) #define k (_comp->_parameters.k) #define k_new (_comp->_parameters.k_new) #define k_old (_comp->_parameters.k_old) #define k_rotated (_comp->_parameters.k_rotated) #define v_length (_comp->_parameters.v_length) #define my_sum (_comp->_parameters.my_sum) #define my_sum_plus_abs (_comp->_parameters.my_sum_plus_abs) #define culmative_probability (_comp->_parameters.culmative_probability) #define mc_prop (_comp->_parameters.mc_prop) #define time_to_scattering (_comp->_parameters.time_to_scattering) #define length_to_scattering (_comp->_parameters.length_to_scattering) #define length_to_boundary (_comp->_parameters.length_to_boundary) #define time_to_boundery (_comp->_parameters.time_to_boundery) #define selected_process (_comp->_parameters.selected_process) #define scattering_event (_comp->_parameters.scattering_event) #define time_propagated_without_scattering (_comp->_parameters.time_propagated_without_scattering) #define a_next_volume_found (_comp->_parameters.a_next_volume_found) #define next_volume (_comp->_parameters.next_volume) #define next_volume_priority (_comp->_parameters.next_volume_priority) #define done (_comp->_parameters.done) #define current_volume (_comp->_parameters.current_volume) #define previous_volume (_comp->_parameters.previous_volume) #define ray_sucseeded (_comp->_parameters.ray_sucseeded) #define number_of_solutions (_comp->_parameters.number_of_solutions) #define number_of_solutions_static (_comp->_parameters.number_of_solutions_static) #define check (_comp->_parameters.check) #define start (_comp->_parameters.start) #define intersection_with_children (_comp->_parameters.intersection_with_children) #define geometry_output (_comp->_parameters.geometry_output) #define tree_next_volume (_comp->_parameters.tree_next_volume) #define pre_allocated1 (_comp->_parameters.pre_allocated1) #define pre_allocated2 (_comp->_parameters.pre_allocated2) #define pre_allocated3 (_comp->_parameters.pre_allocated3) #define ray_position (_comp->_parameters.ray_position) #define ray_velocity (_comp->_parameters.ray_velocity) #define ray_velocity_rotated (_comp->_parameters.ray_velocity_rotated) #define ray_velocity_final (_comp->_parameters.ray_velocity_final) #define wavevector (_comp->_parameters.wavevector) #define wavevector_rotated (_comp->_parameters.wavevector_rotated) #define volume_0_found (_comp->_parameters.volume_0_found) #define scattered_flag (_comp->_parameters.scattered_flag) #define scattered_flag_VP (_comp->_parameters.scattered_flag_VP) #define master_transposed_rotation_matrix (_comp->_parameters.master_transposed_rotation_matrix) #define temp_rotation_matrix (_comp->_parameters.temp_rotation_matrix) #define temp_transpose_rotation_matrix (_comp->_parameters.temp_transpose_rotation_matrix) #define non_rotated_position (_comp->_parameters.non_rotated_position) #define rotated_position (_comp->_parameters.rotated_position) #define non_isotropic_found (_comp->_parameters.non_isotropic_found) #define master_tagging_node_list (_comp->_parameters.master_tagging_node_list) #define current_tagging_node (_comp->_parameters.current_tagging_node) #define tagging_leaf_counter (_comp->_parameters.tagging_leaf_counter) #define stop_tagging_ray (_comp->_parameters.stop_tagging_ray) #define stop_creating_nodes (_comp->_parameters.stop_creating_nodes) #define number_of_scattering_events (_comp->_parameters.number_of_scattering_events) #define real_transmission_probability (_comp->_parameters.real_transmission_probability) #define mc_transmission_probability (_comp->_parameters.mc_transmission_probability) #define number_of_process_interacts_set (_comp->_parameters.number_of_process_interacts_set) #define index_of_lacking_process (_comp->_parameters.index_of_lacking_process) #define total_process_interact (_comp->_parameters.total_process_interact) #define geometry_component_index_list (_comp->_parameters.geometry_component_index_list) #define mask_volume_index_list (_comp->_parameters.mask_volume_index_list) #define number_of_masks (_comp->_parameters.number_of_masks) #define number_of_masked_volumes (_comp->_parameters.number_of_masked_volumes) #define mask_status_list (_comp->_parameters.mask_status_list) #define current_mask_intersect_list_status (_comp->_parameters.current_mask_intersect_list_status) #define mask_index_main (_comp->_parameters.mask_index_main) #define mask_iterator (_comp->_parameters.mask_iterator) #define mask_start (_comp->_parameters.mask_start) #define mask_check (_comp->_parameters.mask_check) #define need_to_run_within_which_volume (_comp->_parameters.need_to_run_within_which_volume) #define number_of_processes_array (_comp->_parameters.number_of_processes_array) #define p_old (_comp->_parameters.p_old) #define log_index (_comp->_parameters.log_index) #define conditional_status (_comp->_parameters.conditional_status) #define this_logger (_comp->_parameters.this_logger) #define this_abs_logger (_comp->_parameters.this_abs_logger) #define tagging_conditional_list (_comp->_parameters.tagging_conditional_list) #define logger_conditional_extend_array (_comp->_parameters.logger_conditional_extend_array) #define abs_logger_conditional_extend_array (_comp->_parameters.abs_logger_conditional_extend_array) #define max_conditional_extend_index (_comp->_parameters.max_conditional_extend_index) #define tagging_conditional_extend (_comp->_parameters.tagging_conditional_extend) #define free_tagging_conditioanl_list (_comp->_parameters.free_tagging_conditioanl_list) #define safety_distance (_comp->_parameters.safety_distance) #define safety_distance2 (_comp->_parameters.safety_distance2) #define temporary_focus_data (_comp->_parameters.temporary_focus_data) #define this_focus_data (_comp->_parameters.this_focus_data) #define focus_data_index (_comp->_parameters.focus_data_index) #define r_old (_comp->_parameters.r_old) #define initial_weight (_comp->_parameters.initial_weight) #define abs_weight_factor (_comp->_parameters.abs_weight_factor) #define time_old (_comp->_parameters.time_old) #define absorption_index (_comp->_parameters.absorption_index) #define abs_weight_factor_set (_comp->_parameters.abs_weight_factor_set) #define my_abs (_comp->_parameters.my_abs) #define absorption_event_data (_comp->_parameters.absorption_event_data) #define abs_position (_comp->_parameters.abs_position) #define transformed_abs_position (_comp->_parameters.transformed_abs_position) #define t_abs_propagation (_comp->_parameters.t_abs_propagation) #define abs_distance (_comp->_parameters.abs_distance) #define abs_max_length (_comp->_parameters.abs_max_length) #define longest_surface_stack (_comp->_parameters.longest_surface_stack) #define interface_stack (_comp->_parameters.interface_stack) SIG_MESSAGE("[_test_sample_display] component test_sample=Union_master() DISPLAY [Union_master:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); // mcdisplay is handled in the component files for each geometry and called here. The line function is only available in this section, and not through // functions, // so all the lines to be drawn for each volume are collected in a structure that is then drawn here. magnify ("xyz"); struct lines_to_draw lines_to_draw_master; for (volume_index = 1; volume_index < number_of_volumes; volume_index++) { if (Volumes[volume_index]->geometry.visualization_on == 1) { lines_to_draw_master.number_of_lines = 0; Volumes[volume_index]->geometry.mcdisplay_function (&lines_to_draw_master, volume_index, Geometries, number_of_volumes); for (iterator = 0; iterator < lines_to_draw_master.number_of_lines; iterator++) { if (lines_to_draw_master.lines[iterator].number_of_dashes == 1) { line (lines_to_draw_master.lines[iterator].point1.x, lines_to_draw_master.lines[iterator].point1.y, lines_to_draw_master.lines[iterator].point1.z, lines_to_draw_master.lines[iterator].point2.x, lines_to_draw_master.lines[iterator].point2.y, lines_to_draw_master.lines[iterator].point2.z); } else { dashed_line (lines_to_draw_master.lines[iterator].point1.x, lines_to_draw_master.lines[iterator].point1.y, lines_to_draw_master.lines[iterator].point1.z, lines_to_draw_master.lines[iterator].point2.x, lines_to_draw_master.lines[iterator].point2.y, lines_to_draw_master.lines[iterator].point2.z, lines_to_draw_master.lines[iterator].number_of_dashes); } } if (lines_to_draw_master.number_of_lines > 0) free (lines_to_draw_master.lines); } } #undef enable_refraction #undef enable_reflection #undef verbal #undef list_verbal #undef finally_verbal #undef allow_inside_start #undef enable_tagging #undef history_limit #undef enable_conditionals #undef inherit_number_of_scattering_events #undef weight_ratio_limit #undef init #undef global_positions_to_transform_list_master #undef global_rotations_to_transform_list_master #undef global_process_list_master #undef global_material_list_master #undef global_surface_list_master #undef global_geometry_list_master #undef global_all_volume_logger_list_master #undef global_specific_volumes_logger_list_master #undef global_all_volume_abs_logger_list_master #undef global_specific_volumes_abs_logger_list_master #undef global_tagging_conditional_list_master #undef global_master_list_master #undef starting_volume_warning #undef global_master_element #undef this_global_master_index #undef previous_master_index #undef geometry_list_index #undef intersection_time_table #undef Volumes #undef Geometries #undef Volume_copies #undef starting_lists #undef Volume_copies_allocated #undef r #undef r_start #undef v #undef error_msg #undef component_error_msg #undef string_output #undef number_of_volumes #undef volume_index #undef process_index #undef iterator #undef solutions #undef max_number_of_processes #undef limit #undef solution #undef min_solution #undef ignore_closest #undef ignore_surface_index #undef min_volume #undef time_found #undef intersection_time #undef min_intersection_time #undef process #undef process_start #undef my_trace #undef p_my_trace #undef my_trace_fraction_control #undef k #undef k_new #undef k_old #undef k_rotated #undef v_length #undef my_sum #undef my_sum_plus_abs #undef culmative_probability #undef mc_prop #undef time_to_scattering #undef length_to_scattering #undef length_to_boundary #undef time_to_boundery #undef selected_process #undef scattering_event #undef time_propagated_without_scattering #undef a_next_volume_found #undef next_volume #undef next_volume_priority #undef done #undef current_volume #undef previous_volume #undef ray_sucseeded #undef number_of_solutions #undef number_of_solutions_static #undef check #undef start #undef intersection_with_children #undef geometry_output #undef tree_next_volume #undef pre_allocated1 #undef pre_allocated2 #undef pre_allocated3 #undef ray_position #undef ray_velocity #undef ray_velocity_rotated #undef ray_velocity_final #undef wavevector #undef wavevector_rotated #undef volume_0_found #undef scattered_flag #undef scattered_flag_VP #undef master_transposed_rotation_matrix #undef temp_rotation_matrix #undef temp_transpose_rotation_matrix #undef non_rotated_position #undef rotated_position #undef non_isotropic_found #undef master_tagging_node_list #undef current_tagging_node #undef tagging_leaf_counter #undef stop_tagging_ray #undef stop_creating_nodes #undef number_of_scattering_events #undef real_transmission_probability #undef mc_transmission_probability #undef number_of_process_interacts_set #undef index_of_lacking_process #undef total_process_interact #undef geometry_component_index_list #undef mask_volume_index_list #undef number_of_masks #undef number_of_masked_volumes #undef mask_status_list #undef current_mask_intersect_list_status #undef mask_index_main #undef mask_iterator #undef mask_start #undef mask_check #undef need_to_run_within_which_volume #undef number_of_processes_array #undef p_old #undef log_index #undef conditional_status #undef this_logger #undef this_abs_logger #undef tagging_conditional_list #undef logger_conditional_extend_array #undef abs_logger_conditional_extend_array #undef max_conditional_extend_index #undef tagging_conditional_extend #undef free_tagging_conditioanl_list #undef safety_distance #undef safety_distance2 #undef temporary_focus_data #undef this_focus_data #undef focus_data_index #undef r_old #undef initial_weight #undef abs_weight_factor #undef time_old #undef absorption_index #undef abs_weight_factor_set #undef my_abs #undef absorption_event_data #undef abs_position #undef transformed_abs_position #undef t_abs_propagation #undef abs_distance #undef abs_max_length #undef longest_surface_stack #undef interface_stack return(_comp); } /* class_Union_master_display */ _class_PSD_monitor_4PI *class_PSD_monitor_4PI_display(_class_PSD_monitor_4PI *_comp ) { #define nx (_comp->_parameters.nx) #define ny (_comp->_parameters.ny) #define filename (_comp->_parameters.filename) #define nowritefile (_comp->_parameters.nowritefile) #define radius (_comp->_parameters.radius) #define restore_neutron (_comp->_parameters.restore_neutron) #define PSD_N (_comp->_parameters.PSD_N) #define PSD_p (_comp->_parameters.PSD_p) #define PSD_p2 (_comp->_parameters.PSD_p2) SIG_MESSAGE("[_det_display] component det=PSD_monitor_4PI() DISPLAY [PSD_monitor_4PI:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); circle ("xy", 0, 0, 0, radius); circle ("xz", 0, 0, 0, radius); circle ("yz", 0, 0, 0, radius); #undef nx #undef ny #undef filename #undef nowritefile #undef radius #undef restore_neutron #undef PSD_N #undef PSD_p #undef PSD_p2 return(_comp); } /* class_PSD_monitor_4PI_display */ _class_Monitor_nD *class_Monitor_nD_display(_class_Monitor_nD *_comp ) { #define user1 (_comp->_parameters.user1) #define user2 (_comp->_parameters.user2) #define user3 (_comp->_parameters.user3) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define zdepth (_comp->_parameters.zdepth) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) #define zmin (_comp->_parameters.zmin) #define zmax (_comp->_parameters.zmax) #define bins (_comp->_parameters.bins) #define min (_comp->_parameters.min) #define max (_comp->_parameters.max) #define restore_neutron (_comp->_parameters.restore_neutron) #define radius (_comp->_parameters.radius) #define options (_comp->_parameters.options) #define filename (_comp->_parameters.filename) #define geometry (_comp->_parameters.geometry) #define nowritefile (_comp->_parameters.nowritefile) #define nexus_bins (_comp->_parameters.nexus_bins) #define username1 (_comp->_parameters.username1) #define username2 (_comp->_parameters.username2) #define username3 (_comp->_parameters.username3) #define DEFS (_comp->_parameters.DEFS) #define Vars (_comp->_parameters.Vars) #define detector (_comp->_parameters.detector) #define offdata (_comp->_parameters.offdata) SIG_MESSAGE("[_Banana_monitor_display] component Banana_monitor=Monitor_nD() DISPLAY [Monitor_nD:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); if (geometry && strlen (geometry) && strcmp (geometry, "0") && strcmp (geometry, "NULL")) { off_display (offdata); } else { Monitor_nD_McDisplay (&DEFS, &Vars); } #undef user1 #undef user2 #undef user3 #undef xwidth #undef yheight #undef zdepth #undef xmin #undef xmax #undef ymin #undef ymax #undef zmin #undef zmax #undef bins #undef min #undef max #undef restore_neutron #undef radius #undef options #undef filename #undef geometry #undef nowritefile #undef nexus_bins #undef username1 #undef username2 #undef username3 #undef DEFS #undef Vars #undef detector #undef offdata return(_comp); } /* class_Monitor_nD_display */ _class_PSDlin_monitor *class_PSDlin_monitor_display(_class_PSDlin_monitor *_comp ) { #define nbins (_comp->_parameters.nbins) #define filename (_comp->_parameters.filename) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) #define nowritefile (_comp->_parameters.nowritefile) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define restore_neutron (_comp->_parameters.restore_neutron) #define vertical (_comp->_parameters.vertical) #define PSDlin_N (_comp->_parameters.PSDlin_N) #define PSDlin_p (_comp->_parameters.PSDlin_p) #define PSDlin_p2 (_comp->_parameters.PSDlin_p2) SIG_MESSAGE("[_PSDlin_transmission_scattered_display] component PSDlin_transmission_scattered=PSDlin_monitor() DISPLAY [PSDlin_monitor:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); multiline (5, (double)xmin, (double)ymin, 0.0, (double)xmax, (double)ymin, 0.0, (double)xmax, (double)ymax, 0.0, (double)xmin, (double)ymax, 0.0, (double)xmin, (double)ymin, 0.0); #undef nbins #undef filename #undef xmin #undef xmax #undef ymin #undef ymax #undef nowritefile #undef xwidth #undef yheight #undef restore_neutron #undef vertical #undef PSDlin_N #undef PSDlin_p #undef PSDlin_p2 return(_comp); } /* class_PSDlin_monitor_display */ #undef magnify #undef line #undef dashed_line #undef multiline #undef rectangle #undef box #undef circle #undef cylinder #undef sphere int display(void) { /* called by mccode_main for Laue_camera:DISPLAY */ printf("MCDISPLAY: start\n"); /* call iteratively all components DISPLAY */ class_Arm_display(&_single_crystal_orientation_110_vertical_var); class_Arm_display(&_single_crystal_orientation_001_along_x_var); class_Progress_bar_display(&_Origin_var); class_Source_simple_display(&_source_var); class_Slit_display(&_slit_var); class_Union_master_display(&_test_sample_var); class_PSD_monitor_4PI_display(&_det_var); class_Monitor_nD_display(&_Banana_monitor_var); class_PSDlin_monitor_display(&_PSDlin_transmission_scattered_var); class_PSDlin_monitor_display(&_PSDlin_transmission_transmitted_var); printf("MCDISPLAY: end\n"); return(0); } /* display */ void* _getvar_parameters(char* compname) /* enables settings parameters based use of the GETPAR macro */ { #ifdef OPENACC #define strcmp(a,b) str_comp(a,b) #endif if (!strcmp(compname, "init")) return (void *) &(_init_var._parameters); if (!strcmp(compname, "YBaCuO_incoherent")) return (void *) &(_YBaCuO_incoherent_var._parameters); if (!strcmp(compname, "single_crystal_orientation_110_vertical")) return (void *) &(_single_crystal_orientation_110_vertical_var._parameters); if (!strcmp(compname, "single_crystal_orientation_001_along_x")) return (void *) &(_single_crystal_orientation_001_along_x_var._parameters); if (!strcmp(compname, "YBaCuO_single_crystal")) return (void *) &(_YBaCuO_single_crystal_var._parameters); if (!strcmp(compname, "YBaCuO")) return (void *) &(_YBaCuO_var._parameters); if (!strcmp(compname, "Origin")) return (void *) &(_Origin_var._parameters); if (!strcmp(compname, "source")) return (void *) &(_source_var._parameters); if (!strcmp(compname, "slit")) return (void *) &(_slit_var._parameters); if (!strcmp(compname, "cylinder_sample_union")) return (void *) &(_cylinder_sample_union_var._parameters); if (!strcmp(compname, "test_sample")) return (void *) &(_test_sample_var._parameters); if (!strcmp(compname, "det")) return (void *) &(_det_var._parameters); if (!strcmp(compname, "Banana_monitor")) return (void *) &(_Banana_monitor_var._parameters); if (!strcmp(compname, "PSDlin_transmission_scattered")) return (void *) &(_PSDlin_transmission_scattered_var._parameters); if (!strcmp(compname, "PSDlin_transmission_transmitted")) return (void *) &(_PSDlin_transmission_transmitted_var._parameters); if (!strcmp(compname, "stop")) return (void *) &(_stop_var._parameters); return 0; } void* _get_particle_var(char *token, _class_particle *p) /* enables setpars based use of GET_PARTICLE_DVAR macro and similar */ { if (!strcmp(token, "scattered_flag_instr")) return (void *) &(p->scattered_flag_instr); return 0; } int _getcomp_index(char* compname) /* Enables retrieving the component position & rotation when the index is not known. * Component indexing into MACROS, e.g., POS_A_COMP_INDEX, are 1-based! */ { if (!strcmp(compname, "init")) return 1; if (!strcmp(compname, "YBaCuO_incoherent")) return 2; if (!strcmp(compname, "single_crystal_orientation_110_vertical")) return 3; if (!strcmp(compname, "single_crystal_orientation_001_along_x")) return 4; if (!strcmp(compname, "YBaCuO_single_crystal")) return 5; if (!strcmp(compname, "YBaCuO")) return 6; if (!strcmp(compname, "Origin")) return 7; if (!strcmp(compname, "source")) return 8; if (!strcmp(compname, "slit")) return 9; if (!strcmp(compname, "cylinder_sample_union")) return 10; if (!strcmp(compname, "test_sample")) return 11; if (!strcmp(compname, "det")) return 12; if (!strcmp(compname, "Banana_monitor")) return 13; if (!strcmp(compname, "PSDlin_transmission_scattered")) return 14; if (!strcmp(compname, "PSDlin_transmission_transmitted")) return 15; if (!strcmp(compname, "stop")) return 16; return -1; } /* embedding file "metadata-r.c" */ /** --- Contents of metadata-r.c ---------------------------------------------------------------------------------- */ // Created by Gregory Tucker, Data Management Software Centre, European Spallation Source ERIC on 07/07/23. #ifndef MCCODE_NAME #include "metadata-r.h" #endif char * metadata_table_key_component(char* key){ if (strlen(key) == 0) return NULL; char sep[2] = ":\0"; // matches any number of repeated colons // look for the separator in the provided key; strtok is allowed to modify the string, so copy it char * tok = malloc((strlen(key) + 1) * sizeof(char)); if (!tok) { fprintf(stderr,"Error allocating token\n"); exit(-1); } strcpy(tok, key); char * pch = strtok(tok, sep); // this *is* the component name (if provided) -- but we need to move the pointer char * comp = malloc((1 + strlen(pch)) * sizeof(char)); if (!comp) { fprintf(stderr,"Error allocating comp\n"); exit(-1); } strcpy(comp, pch); if (tok) free(tok); return comp; } char * metadata_table_key_literal(char * key){ if (strlen(key) == 0) return NULL; char sep[3] = ":\0"; char * tok = malloc((strlen(key) + 1 ) * sizeof(char)); if (!tok) { fprintf(stderr,"Error allocating token\n"); exit(-1); } strcpy(tok, key); char * pch = strtok(tok, sep); // this *is* the component name (if provided) if (pch) pch = strtok(NULL, sep); // either NULL or the literal name char * name = NULL; if (pch) { name = malloc((1 + strlen(pch)) * sizeof(char)); if (!name) { fprintf(stderr,"Error allocating name\n"); exit(-1); } strcpy(name, pch); } if (tok) free(tok); return name; } int metadata_table_defined(int no, metadata_table_t * tab, char * key){ if (strlen(key) == 0){ /* This is 0 instead of `no` independent of any wildcard-matching logic * because a caller _already_ knows `no` and can verify * that `key` is not "" at call-time. So returning `no` is useless. */ return 0; } char * comp = metadata_table_key_component(key); char * name = metadata_table_key_literal(key); // look through the table for the matching component and literal names int number = 0; for (int i=0; i 1) { MPI_MASTER( printf("Simulation '%s' (%s): running on %i nodes (master is '%s', MPI version %i.%i).\n", instrument_name, instrument_source, mpi_node_count, mpi_node_name, MPI_VERSION, MPI_SUBVERSION); ); /* share the same seed, then adapt random seed for each node */ MPI_Bcast(&mcseed, 1, MPI_LONG, 0, MPI_COMM_WORLD); /* root sends its seed to slaves */ mcseed += mpi_node_rank; /* make sure we use different seeds per noe */ } #endif /* USE_MPI */ #ifdef OPENACC #ifdef USE_MPI int num_devices = acc_get_num_devices(acc_device_nvidia); if(num_devices>0){ int my_device = mpi_node_rank % num_devices; acc_set_device_num( my_device, acc_device_nvidia ); printf("Have found %d GPU devices on rank %d. Will use device %d.\n", num_devices, mpi_node_rank, my_device); }else{ printf("There was an issue probing acc_get_num_devices, fallback to host\n"); acc_set_device_type( acc_device_host ); } #endif #endif /* *** parse options ******************************************************* */ SIG_MESSAGE("[" __FILE__ "] main START"); mcformat = getenv(FLAVOR_UPPER "_FORMAT") ? getenv(FLAVOR_UPPER "_FORMAT") : FLAVOR_UPPER; instrument_exe = argv[0]; /* store the executable path */ /* read simulation parameters and options */ mcparseoptions(argc, argv); /* sets output dir and format */ #ifdef USE_MPI if (mpi_node_count > 1) { /* share the same seed, then adapt random seed for each node */ MPI_Bcast(&mcseed, 1, MPI_LONG, 0, MPI_COMM_WORLD); /* root sends its seed to slaves */ mcseed += mpi_node_rank; /* make sure we use different seeds per node */ } #endif /* *** install sig handler, but only once !! after parameters parsing ******* */ #ifndef NOSIGNALS #ifdef SIGQUIT if (signal( SIGQUIT ,sighandler) == SIG_IGN) signal( SIGQUIT,SIG_IGN); /* quit (ASCII FS) */ #endif #ifdef SIGABRT if (signal( SIGABRT ,sighandler) == SIG_IGN) signal( SIGABRT,SIG_IGN); /* used by abort, replace SIGIOT in the future */ #endif #ifdef SIGTERM if (signal( SIGTERM ,sighandler) == SIG_IGN) signal( SIGTERM,SIG_IGN); /* software termination signal from kill */ #endif #ifdef SIGUSR1 if (signal( SIGUSR1 ,sighandler) == SIG_IGN) signal( SIGUSR1,SIG_IGN); /* display simulation status */ #endif #ifdef SIGUSR2 if (signal( SIGUSR2 ,sighandler) == SIG_IGN) signal( SIGUSR2,SIG_IGN); #endif #ifdef SIGHUP if (signal( SIGHUP ,sighandler) == SIG_IGN) signal( SIGHUP,SIG_IGN); #endif #ifdef SIGILL if (signal( SIGILL ,sighandler) == SIG_IGN) signal( SIGILL,SIG_IGN); /* illegal instruction (not reset when caught) */ #endif #ifdef SIGFPE if (signal( SIGFPE ,sighandler) == SIG_IGN) signal( SIGSEGV,SIG_IGN); /* floating point exception */ #endif #ifdef SIGBUS if (signal( SIGBUS ,sighandler) == SIG_IGN) signal( SIGSEGV,SIG_IGN); /* bus error */ #endif #ifdef SIGSEGV if (signal( SIGSEGV ,sighandler) == SIG_IGN) signal( SIGSEGV,SIG_IGN); /* segmentation violation */ #endif #endif /* !NOSIGNALS */ // init executed by master/host siminfo_init(NULL); /* open SIM */ SIG_MESSAGE("[" __FILE__ "] main INITIALISE"); init(); #ifndef NOSIGNALS #ifdef SIGINT if (signal( SIGINT ,sighandler) == SIG_IGN) signal( SIGINT,SIG_IGN); /* interrupt (rubout) only after INIT */ #endif #endif /* !NOSIGNALS */ /* ================ main particle generation/propagation loop ================ */ #ifdef USE_MPI /* sliced Ncount on each MPI node */ mcncount = mpi_node_count > 1 ? floor(mcncount / mpi_node_count) : mcncount; /* number of rays per node */ #endif // MT specific init, note that per-ray init is empty #if RNG_ALG == 2 mt_srandom(mcseed); #endif // main raytrace work loop #ifndef FUNNEL // legacy version raytrace_all(mcncount, mcseed); #else MPI_MASTER( // "funneled" version in which propagation is more parallelizable printf("\nNOTE: CPU COMPONENT grammar activated:\n 1) \"FUNNEL\" raytrace algorithm enabled.\n 2) Any SPLIT's are dynamically allocated based on available buffer size. \n"); ); raytrace_all_funnel(mcncount, mcseed); #endif #ifdef USE_MPI /* merge run_num from MPI nodes */ if (mpi_node_count > 1) { double mcrun_num_double = (double)mcrun_num; mc_MPI_Sum(&mcrun_num_double, 1); mcrun_num = (unsigned long long)mcrun_num_double; } #endif // save/finally executed by master node/thread/host finally(); #ifdef USE_MPI MPI_Finalize(); #endif /* USE_MPI */ return 0; } /* mccode_main */ /* End of file "mccode_main.c". */ /* end of generated C code ./Laue_camera.c */