/* * gui_project.c * * GUI project persistence * * Copyright © 2020 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * * Authors: * 2020 Thomas White * * 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 . * */ #ifdef HAVE_CONFIG_H #include #endif #include #include #include #include #include "gui_project.h" #include "gui_backend_local.h" #include "gui_backend_slurm.h" static double parse_float(const char *val) { float v; if (sscanf(val, "%f", &v) != 1) { ERROR("Invalid float value '%s'\n", val); return NAN; } return v; } static int parse_int(const char *val) { int v; if (sscanf(val, "%i", &v) != 1) { ERROR("Invalid int value '%s'\n", val); return 0; } return v; } static const char *str_matchtype(enum match_type_id mt) { switch ( mt ) { case MATCH_EVERYTHING : return "everything"; case MATCH_CHEETAH_LCLS_H5 : return "lcls-cheetah-hdf5"; case MATCH_CHEETAH_CXI : return "cheetah-cxi"; case MATCH_CBF : return "cbf"; case MATCH_CBFGZ : return "cbfgz"; } return NULL; } enum match_type_id decode_matchtype(const char *type_id) { if ( strcmp(type_id, "everything") == 0 ) return MATCH_EVERYTHING; if ( strcmp(type_id, "lcls-cheetah-hdf5") == 0 ) return MATCH_CHEETAH_LCLS_H5; if ( strcmp(type_id, "cheetah-cxi") == 0 ) return MATCH_CHEETAH_CXI; if ( strcmp(type_id, "cbf") == 0 ) return MATCH_CBF; if ( strcmp(type_id, "cbfgz") == 0 ) return MATCH_CBFGZ; ERROR("Unknown match type id '%s'\n", type_id); return MATCH_EVERYTHING; } int match_filename(const char *fn, enum match_type_id mt) { const char *ext = NULL; const char *ext2 = NULL; if ( mt == MATCH_EVERYTHING ) return 1; ext = filename_extension(fn, &ext2); if ( ext == NULL ) return 0; if ( mt == MATCH_CHEETAH_LCLS_H5 ) { return ((strcmp(ext, ".h5")==0) && (strncmp(fn, "LCLS", 4)==0)); } if ( mt == MATCH_CHEETAH_CXI ) return strcmp(ext, ".cxi")==0; if ( mt == MATCH_CBF ) return strcmp(ext, ".cbf")==0; if ( mt == MATCH_CBFGZ ) { if ( ext2 != NULL ) { return strcmp(ext2, ".cbf.gz")==0; } } return 0; } static void parse_tols(const char *text, float *tols) { int r; r = sscanf(text, "%f,%f,%f,%f,%f,%f", &tols[0], &tols[1], &tols[2], &tols[3], &tols[4], &tols[5]); if ( r != 6 ) { STATUS("Invalid tolerances '%s'\n", text); } else { int i; for ( i=0; i<3; i++ ) tols[i] /= 100.0; for ( i=3; i<6; i++ ) tols[i] = deg2rad(tols[i]); } } static int find_backend(const char *name, struct crystfelproject *proj) { int i; for ( i=0; in_backends; i++ ) { if ( strcmp(proj->backends[i].name, name) == 0 ) { return i; } } ERROR("Couldn't find backend '%s'\n", name); return 0; } static void handle_var(const char *key, const char *val, struct crystfelproject *proj) { if ( strcmp(key, "peak_search_params.method") == 0 ) { proj->peak_search_params.method = parse_peaksearch(val); if ( proj->peak_search_params.method == PEAK_ERROR ) { ERROR("Unrecognised peak search method '%s'\n", val); } } if ( strcmp(key, "peak_search_params.threshold") == 0 ) { proj->peak_search_params.threshold = parse_float(val); } if ( strcmp(key, "peak_search_params.min_sq_gradient") == 0 ) { proj->peak_search_params.min_sq_gradient = parse_float(val); } if ( strcmp(key, "peak_search_params.min_snr") == 0 ) { proj->peak_search_params.min_snr = parse_float(val); } if ( strcmp(key, "peak_search_params.local_bg_radius") == 0 ) { proj->peak_search_params.local_bg_radius = parse_int(val); } if ( strcmp(key, "peak_search_params.min_res") == 0 ) { proj->peak_search_params.min_res = parse_int(val); } if ( strcmp(key, "peak_search_params.min_sig") == 0 ) { proj->peak_search_params.min_sig = parse_float(val); } if ( strcmp(key, "peak_search_params.max_res") == 0 ) { proj->peak_search_params.max_res = parse_int(val); } if ( strcmp(key, "peak_search_params.min_pix_count") == 0 ) { proj->peak_search_params.min_pix_count = parse_int(val); } if ( strcmp(key, "peak_search_params.max_pix_count") == 0 ) { proj->peak_search_params.max_pix_count = parse_int(val); } if ( strcmp(key, "peak_search_params.min_peak_over_neighbour") == 0 ) { proj->peak_search_params.min_peak_over_neighbour = parse_float(val); } if ( strcmp(key, "peak_search_params.pk_inn") == 0 ) { proj->peak_search_params.pk_inn = parse_float(val); } if ( strcmp(key, "peak_search_params.pk_mid") == 0 ) { proj->peak_search_params.pk_mid = parse_float(val); } if ( strcmp(key, "peak_search_params.pk_out") == 0 ) { proj->peak_search_params.pk_out = parse_float(val); } if ( strcmp(key, "peak_search_params.half_pixel_shift") == 0 ) { proj->peak_search_params.half_pixel_shift = parse_int(val); } if ( strcmp(key, "peak_search_params.revalidate") == 0 ) { proj->peak_search_params.revalidate = parse_int(val); } if ( strcmp(key, "indexing.cell_file") == 0 ) { proj->indexing_params.cell_file = strdup(val); } if ( strcmp(key, "indexing.methods") == 0 ) { proj->indexing_params.indexing_methods = strdup(val); } if ( strcmp(key, "indexing.multi_lattice") == 0 ) { proj->indexing_params.multi = parse_int(val); } if ( strcmp(key, "indexing.no_refine") == 0 ) { proj->indexing_params.no_refine = parse_int(val); } if ( strcmp(key, "indexing.no_retry") == 0 ) { proj->indexing_params.no_retry = parse_int(val); } if ( strcmp(key, "indexing.no_peak_check") == 0 ) { proj->indexing_params.no_peak_check = parse_int(val); } if ( strcmp(key, "indexing.no_cell_check") == 0 ) { proj->indexing_params.no_cell_check = parse_int(val); } if ( strcmp(key, "indexing.cell_tolerance") == 0 ) { parse_tols(val, proj->indexing_params.tols); } if ( strcmp(key, "indexing.min_peaks") == 0 ) { proj->indexing_params.min_peaks = parse_int(val); } if ( strcmp(key, "indexing.new_job_title") == 0 ) { free(proj->indexing_new_job_title); proj->indexing_new_job_title = strdup(val); } if ( strcmp(key, "indexing.backend") == 0 ) { proj->indexing_backend_selected = find_backend(val, proj); } if ( strcmp(key, "integration.method") == 0 ) { proj->indexing_params.integration_method = strdup(val); } if ( strcmp(key, "integration.overpredict") == 0 ) { proj->indexing_params.overpredict = parse_int(val); } if ( strcmp(key, "integration.push_res") == 0 ) { proj->indexing_params.push_res = parse_float(val); } if ( strcmp(key, "show_peaks") == 0 ) { proj->show_peaks = parse_int(val); } if ( strcmp(key, "show_refls") == 0 ) { proj->show_refls = parse_int(val); } if ( strcmp(key, "geom") == 0 ) { proj->geom_filename = strdup(val); } if ( strcmp(key, "data_folder") == 0 ) { proj->data_top_folder = strdup(val); } if ( strcmp(key, "stream") == 0 ) { proj->stream_filename = strdup(val); } if ( strcmp(key, "search_pattern") == 0 ) { proj->data_search_pattern = decode_matchtype(val); } /* Backend indexing option? */ if ( strncmp(key, "indexing.", 9) == 0 ) { int i; for ( i=0; in_backends; i++ ) { struct crystfel_backend *be; be = &proj->backends[i]; be->read_indexing_opt(be->indexing_opts_priv, key, val); } } } void clear_project_files(struct crystfelproject *proj) { int i; if ( proj->filenames != NULL ) { for ( i=0; in_frames; i++ ) { free(proj->filenames[i]); free(proj->events[i]); } free(proj->filenames); free(proj->events); } proj->n_frames = 0; proj->max_frames = 0; proj->filenames = NULL; proj->events = NULL; proj->stream = NULL; } void add_file_to_project(struct crystfelproject *proj, const char *filename, const char *event) { if ( proj->n_frames == proj->max_frames ) { int n_max = proj->max_frames + 1024; char **n_filenames; char **n_events; n_filenames = realloc(proj->filenames, n_max*sizeof(char *)); n_events = realloc(proj->events, n_max*sizeof(char *)); if ( (n_filenames == NULL) || (n_events == NULL) ) { ERROR("Failed to allocate new filename\n"); return; } proj->max_frames = n_max; proj->filenames = n_filenames; proj->events = n_events; } proj->filenames[proj->n_frames] = strdup(filename); proj->events[proj->n_frames] = safe_strdup(event); proj->n_frames++; } int load_project(struct crystfelproject *proj) { FILE *fh; char line[1024]; char *rval; int image_list_mode = 0; fh = fopen("crystfel.project", "r"); if ( fh == NULL ) return 1; default_project(proj); do { char *sp; rval = fgets(line, 1023, fh); if ( rval == NULL ) break; chomp(line); if ( line[0] == '\0' ) continue; if ( image_list_mode ) { char *ev = NULL; size_t n = strlen(line)-1; for ( ; n>0; n-- ) { if ( line[n] == ' ' ) { line[n] = '\0'; ev = &line[n+1]; break; } } add_file_to_project(proj, line, ev); continue; } if ( strcmp(line, "-----") == 0 ) { image_list_mode = 1; continue; } sp = strchr(line, ' '); if ( sp == NULL ) { ERROR("Unrecognised line in crystfel.project " "file: '%s'\n", line); continue; } sp[0] = '\0'; handle_var(line, sp+1, proj); } while ( rval != NULL ); fclose(fh); return 0; } int save_project(struct crystfelproject *proj) { int i; FILE *fh; fh = fopen("crystfel.project", "w"); if ( fh == NULL ) { STATUS("Couldn't save project.\n"); return 1; } fprintf(fh, "geom %s\n", proj->geom_filename); fprintf(fh, "data_folder %s\n", proj->data_top_folder); fprintf(fh, "search_pattern %s\n", str_matchtype(proj->data_search_pattern)); fprintf(fh, "stream %s\n", proj->stream_filename); fprintf(fh, "peak_search_params.method %s\n", str_peaksearch(proj->peak_search_params.method)); fprintf(fh, "peak_search_params.threshold %f\n", proj->peak_search_params.threshold); fprintf(fh, "peak_search_params.min_sq_gradient %f\n", proj->peak_search_params.min_sq_gradient); fprintf(fh, "peak_search_params.min_snr %f\n", proj->peak_search_params.min_snr); fprintf(fh, "peak_search_params.min_pix_count %i\n", proj->peak_search_params.min_pix_count); fprintf(fh, "peak_search_params.max_pix_count %i\n", proj->peak_search_params.max_pix_count); fprintf(fh, "peak_search_params.local_bg_radius %i\n", proj->peak_search_params.local_bg_radius); fprintf(fh, "peak_search_params.min_res %i\n", proj->peak_search_params.min_res); fprintf(fh, "peak_search_params.max_res %i\n", proj->peak_search_params.max_res); fprintf(fh, "peak_search_params.min_snr_biggest_pix %f\n", proj->peak_search_params.min_snr_biggest_pix); fprintf(fh, "peak_search_params.min_snr_peak_pix %f\n", proj->peak_search_params.min_snr_peak_pix); fprintf(fh, "peak_search_params.min_peak_over_neighbour %f\n", proj->peak_search_params.min_peak_over_neighbour); fprintf(fh, "peak_search_params.pk_inn %f\n", proj->peak_search_params.pk_inn); fprintf(fh, "peak_search_params.pk_mid %f\n", proj->peak_search_params.pk_mid); fprintf(fh, "peak_search_params.pk_out %f\n", proj->peak_search_params.pk_out); fprintf(fh, "peak_search_params.half_pixel_shift %i\n", proj->peak_search_params.half_pixel_shift); fprintf(fh, "peak_search_params.revalidate %i\n", proj->peak_search_params.revalidate); fprintf(fh, "indexing.cell_file %s\n", proj->indexing_params.cell_file); fprintf(fh, "indexing.methods %s\n", proj->indexing_params.indexing_methods); fprintf(fh, "indexing.multi_lattice %i\n", proj->indexing_params.multi); fprintf(fh, "indexing.no_refine %i\n", proj->indexing_params.no_refine); fprintf(fh, "indexing.no_retry %i\n", proj->indexing_params.no_retry); fprintf(fh, "indexing.no_peak_check %i\n", proj->indexing_params.no_peak_check); fprintf(fh, "indexing.no_cell_check %i\n", proj->indexing_params.no_cell_check); fprintf(fh, "indexing.cell_tolerance %f,%f,%f,%f,%f,%f\n", proj->indexing_params.tols[0]*100.0, proj->indexing_params.tols[1]*100.0, proj->indexing_params.tols[2]*100.0, rad2deg(proj->indexing_params.tols[3]), rad2deg(proj->indexing_params.tols[4]), rad2deg(proj->indexing_params.tols[5])); fprintf(fh, "indexing.min_peaks %i\n", proj->indexing_params.min_peaks); fprintf(fh, "indexing.new_job_title %s\n", proj->indexing_new_job_title); fprintf(fh, "indexing.backend %s\n", proj->backends[proj->indexing_backend_selected].name); for ( i=0; in_backends; i++ ) { struct crystfel_backend *be; be = &proj->backends[i]; be->write_indexing_opts(be->indexing_opts_priv, fh); } fprintf(fh, "integration.method %s\n", proj->indexing_params.integration_method); fprintf(fh, "integration.overpredict %i\n", proj->indexing_params.overpredict); fprintf(fh, "integration.push_res %f\n", proj->indexing_params.push_res); fprintf(fh, "show_peaks %i\n", proj->show_peaks); fprintf(fh, "show_refls %i\n", proj->show_refls); fprintf(fh, "-----\n"); if ( proj->stream == NULL ) { for ( i=0; in_frames; i++ ) { if ( proj->events[i] != NULL ) { fprintf(fh, "%s %s\n", proj->filenames[i], proj->events[i]); } else { fprintf(fh, "%s\n", proj->filenames[i]); } } } fclose(fh); proj->unsaved = 0; return 0; } void default_project(struct crystfelproject *proj) { proj->unsaved = 0; proj->geom_filename = NULL; proj->n_frames = 0; proj->max_frames = 0; proj->filenames = NULL; proj->events = NULL; proj->peak_params = NULL; proj->data_top_folder = NULL; proj->data_search_pattern = 0; proj->stream_filename = NULL; proj->stream = NULL; proj->dtempl = NULL; proj->cur_image = NULL; proj->indexing_opts = NULL; proj->n_running_tasks = 0; proj->indexing_new_job_title = NULL; /* FIXME: Crappy error handling */ proj->n_backends = 0; proj->backends = malloc(2*sizeof(struct crystfel_backend)); if ( proj->backends == NULL ) { ERROR("Couldn't allocate space for backends\n"); } if ( make_local_backend(&proj->backends[proj->n_backends++]) ) { ERROR("Local backend setup failed\n"); } #ifdef HAVE_SLURM if ( make_slurm_backend(&proj->backends[proj->n_backends++]) ) { ERROR("SLURM backend setup failed\n"); } #endif /* Default parameter values */ proj->show_peaks = 0; proj->show_refls = 0; proj->peak_search_params.method = PEAK_ZAEF; proj->peak_search_params.threshold = 800.0; proj->peak_search_params.min_sq_gradient = 100000; proj->peak_search_params.min_snr = 5.0; proj->peak_search_params.min_pix_count = 2; proj->peak_search_params.max_pix_count = 200; proj->peak_search_params.local_bg_radius = 3; proj->peak_search_params.min_res = 0; proj->peak_search_params.max_res = 1200; proj->peak_search_params.min_snr_biggest_pix = 7.0; proj->peak_search_params.min_snr_peak_pix = 6.0; proj->peak_search_params.min_sig = 11.0; proj->peak_search_params.min_peak_over_neighbour = -INFINITY; proj->peak_search_params.pk_inn = 3.0; proj->peak_search_params.pk_mid = 4.0; proj->peak_search_params.pk_out = 5.0; proj->peak_search_params.half_pixel_shift = 1; proj->peak_search_params.revalidate = 1; proj->indexing_params.cell_file = NULL; proj->indexing_params.indexing_methods = NULL; proj->indexing_params.multi = 1; proj->indexing_params.no_refine = 0; proj->indexing_params.no_retry = 0; proj->indexing_params.no_peak_check = 0; proj->indexing_params.no_cell_check = 0; proj->indexing_params.tols[0] = 5.0; proj->indexing_params.tols[1] = 5.0; proj->indexing_params.tols[2] = 5.0; proj->indexing_params.tols[3] = deg2rad(1.5); proj->indexing_params.tols[4] = deg2rad(1.5); proj->indexing_params.tols[5] = deg2rad(1.5); proj->indexing_params.min_peaks = 0; proj->indexing_params.integration_method = strdup("rings"); proj->indexing_params.overpredict = 0; proj->indexing_params.push_res = INFINITY; }