diff options
Diffstat (limited to 'src/gui_project.c')
| -rw-r--r-- | src/gui_project.c | 118 |
1 files changed, 118 insertions, 0 deletions
diff --git a/src/gui_project.c b/src/gui_project.c index c8868486..c10d9a99 100644 --- a/src/gui_project.c +++ b/src/gui_project.c @@ -128,6 +128,24 @@ int match_filename(const char *fn, enum match_type_id mt) } +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 void handle_var(const char *key, const char *val, struct crystfelproject *proj) { @@ -199,6 +217,54 @@ static void handle_var(const char *key, const char *val, 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, "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); } @@ -386,6 +452,37 @@ int save_project(struct crystfelproject *proj) 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, "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, "backend %s\n", proj->backend->name); @@ -424,10 +521,12 @@ void default_project(struct crystfelproject *proj) proj->stream = NULL; proj->dtempl = NULL; proj->cur_image = NULL; + proj->indexing_opts = NULL; /* 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; @@ -446,5 +545,24 @@ void default_project(struct crystfelproject *proj) 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; + proj->backend = backend_local; } |