/* * fromfile.c * * Perform indexing from solution file * * Authors: * 2020 Pascal Hogan-Lamarre * * This file is part of CrystFEL. * * CrystFEL is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 3 of the License, or * (at your option) any later version. * * CrystFEL is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with CrystFEL. If not, see . * */ #include #include #include #include #include #include #include #include "image.h" #include "uthash.h" /** \file fromfile.h */ /* There are 9 vector components, * 2 detector shifts, 1 profile radius, * 1 resolution limit */ #define NPARAMS_PER_LINE 11 /* The keys read from file * are the filename, event */ #define NKEYS_PER_LINE 2 struct fromfile_keys { char filename[100]; char event[100]; int crystal_number; }; struct fromfile_entries { struct fromfile_keys key; float solution[NPARAMS_PER_LINE]; UT_hash_handle hh; }; struct fromfile_private { UnitCell *cellTemplate; struct fromfile_entries *sol_hash; }; void print_struct(struct fromfile_entries *sol_hash) { struct fromfile_entries *s; s = calloc(1, sizeof(struct fromfile_entries)); if ( s == NULL ) return; for( s=sol_hash; s != NULL; s=s->hh.next ) { printf("File %s, event %s, and crystal_number %d \n", s->key.filename, s->key.event, s->key.crystal_number); } } void full_print_struct(struct fromfile_entries *sol_hash) { struct fromfile_entries *s; s = calloc(1, sizeof(struct fromfile_entries)); if ( s == NULL ) return; for( s=sol_hash; s != NULL; s=s->hh.next ) { printf("File %s, event %s, and crystal_number %d \n", s->key.filename, s->key.event, s->key.crystal_number); printf("Solution parameters:\n"); for( int i = 0; i < NPARAMS_PER_LINE; i++ ){ printf("%e", s->solution[i]); } printf("\n"); } } int ncrystals_in_sol(char *path) { FILE *fh; int count = 0; /* Line counter (result) */ char c; /* To store a character read from file */ fh = fopen(path, "r"); if ( fh == NULL ) { ERROR("%s not found by ncrystals_in_sol\n", path); return 0; } for ( c = getc(fh); c != EOF; c = getc(fh) ) { if ( c == '\n' ) { count = count + 1; } } /* For the last line, which has no \n at the end*/ count = count + 1; fclose(fh); return count; } char *read_unknown_string(FILE *fh) { /* Source: "https://stackoverflow.com/questions/16870485/ * how-can-i-read-an-input-string-of-unknown-length" */ char *str = NULL; int ch; size_t len = 0; size_t size = 1; str = realloc(NULL, sizeof(char)*size); //size is start size if ( !str ) { ERROR("Can't reallocate string size"); } while( ( ch = fgetc(fh) ) != ' ' && ch != EOF ){ if (ch != '\n'){ str[len++]=ch; } if(len==size){ size+=64; str = realloc(str, sizeof(char)*(size)); if ( !str ) { ERROR("Can't reallocate string size"); } } } return realloc(str, sizeof(char)*len); } void *fromfile_prepare(char *solution_filename, UnitCell *cell) { FILE *fh; int nlines; int nparams_in_solution; int nentries; char *filename; char *event; int crystal_number; int current_line; int position_in_current_line; struct fromfile_entries *sol_hash = NULL; struct fromfile_entries *item = NULL; float params[NPARAMS_PER_LINE]; /* Assembling solution file name from input file name*/ char *path_to_sol; size_t path_len; char *core_name = strtok(solution_filename, "."); char *extension = ".sol"; path_len = sizeof(core_name) + sizeof(extension) + sizeof("../"); path_to_sol = realloc(NULL, sizeof(char)*path_len); strcpy(path_to_sol, "../"); strcat(path_to_sol, core_name); strcat(path_to_sol, extension); fh = fopen(path_to_sol, "r"); if ( fh == NULL ) { ERROR("%s not found by fromfile_prepare\n", path_to_sol); return 0; } else { STATUS("Found solution file %s\n", path_to_sol); } nlines = ncrystals_in_sol(path_to_sol); /* Total crystal parameters in solution file */ nparams_in_solution = nlines*NPARAMS_PER_LINE; /* Total entries in solution file */ nentries = nlines*(NPARAMS_PER_LINE+NKEYS_PER_LINE); STATUS("Parsing solution file containing %d lines...\n", nlines); /* Reads indexing solutions */ int j = 0; /* follows the solution parameter [0,NPARAMS_PER_LINE] */ for(int i = 0; i < nentries; i++) { crystal_number = 0; current_line = i/(NPARAMS_PER_LINE+NKEYS_PER_LINE); position_in_current_line = (i)%(NPARAMS_PER_LINE+NKEYS_PER_LINE); if ( position_in_current_line == 0 ) { filename = read_unknown_string(fh); if ( !filename ){ if ( current_line == nlines-1 ) break; printf("Failed to read a filename\n"); return 0; } } if ( position_in_current_line == 1 ) { event = read_unknown_string(fh); if ( !event ){ printf("Failed to read a event\n"); return 0; } } if ( position_in_current_line > 1 ) { if ( fscanf(fh, "%e", ¶ms[j]) != 1 ) { printf("Failed to read a parameter\n"); return 0; } j+=1; } if ( j == (NPARAMS_PER_LINE) ) { /* Prepare to add to the hash table */ item = (struct fromfile_entries *)malloc(sizeof *item); memset(item, 0, sizeof *item); strcpy(item->key.filename, filename); strcpy(item->key.event, event); item->key.crystal_number = crystal_number; for ( int k = 0; k < NPARAMS_PER_LINE; k++){ item->solution[k] = params[k]; } /* Verify the uniqueness of the key */ struct fromfile_entries *uniqueness_test; HASH_FIND(hh, sol_hash, &item->key, sizeof(struct fromfile_keys), uniqueness_test); if ( uniqueness_test == NULL ) { HASH_ADD(hh, sol_hash, key, sizeof(struct fromfile_keys), item); } else { /* Look for the next available set of keys */ do { uniqueness_test = NULL; crystal_number += 1; item->key.crystal_number = crystal_number; HASH_FIND(hh, sol_hash, &item->key, sizeof(struct fromfile_keys), uniqueness_test); } while ( uniqueness_test != NULL ); HASH_ADD(hh, sol_hash, key, sizeof(struct fromfile_keys), item); } j=0; } } fclose(fh); STATUS("Solution parsing done. Have %d parameters and %d total entries.\n", nparams_in_solution, nentries); struct fromfile_private *dp; dp = (struct fromfile_private *) malloc( sizeof(struct fromfile_private)); if ( dp == NULL ){ return NULL; } dp->cellTemplate = cell; dp->sol_hash = sol_hash; STATUS("Solution lookup table initialized!\n"); return (void *)dp; } int fromfile_index(struct image *image, void *mpriv, int crystal_number) { Crystal *cr; UnitCell *cell; float asx, asy, asz, bsx, bsy, bsz, csx, csy, csz; float xshift, yshift; struct fromfile_entries *item, *p, *pprime; int ncryst = 0; float *sol; struct fromfile_private *dp = mpriv; /* Look up the hash table */ item = calloc(1, sizeof(struct fromfile_entries)); strcpy(item->key.filename, image->filename); strcpy(item->key.event, image->ev); item->key.crystal_number = crystal_number; /* key already in the hash? */ HASH_FIND(hh, dp->sol_hash, &item->key, sizeof(struct fromfile_keys), p); if ( p == NULL ) return 0; sol = &(p->solution)[0]; asx = sol[0] * 1e9; asy = sol[1] * 1e9; asz = sol[2] * 1e9; bsx = sol[3] * 1e9; bsy = sol[4] * 1e9; bsz = sol[5] * 1e9; csx = sol[6] * 1e9; csy = sol[7] * 1e9; csz = sol[8] * 1e9; xshift = sol[9] * 1e-3; yshift = sol[10] * 1e-3; cell = cell_new(); cell_set_reciprocal(cell, asx, asy, asz, bsx, bsy, bsz, csx, csy, csz); cell_set_lattice_type(cell, cell_get_lattice_type(dp->cellTemplate)); cell_set_centering(cell, cell_get_centering(dp->cellTemplate)); cell_set_unique_axis(cell, cell_get_unique_axis(dp->cellTemplate)); cr = crystal_new(); ncryst += 1; crystal_set_cell(cr, cell); crystal_set_det_shift(cr, xshift , yshift); image_add_crystal(image, cr); /* Look for additional crystals */ item->key.crystal_number = crystal_number+1; HASH_FIND(hh, dp->sol_hash, &item->key, sizeof(struct fromfile_keys), pprime); /* If a similar tag exist, * recursive call increasing the crystal_number by 1 */ if ( pprime != NULL ) { ncryst += fromfile_index(image, mpriv, crystal_number+1); } return ncryst; } void fromfile_cleanup(void *mpriv) { struct fromfile_private *dp = mpriv; /* FIXME: Implementation */ free(dp); }