diff options
| -rw-r--r-- | libcrystfel/src/fom.c | 31 | ||||
| -rw-r--r-- | libcrystfel/src/fom.h | 1 | ||||
| -rw-r--r-- | src/gui_fom.c | 41 |
3 files changed, 49 insertions, 24 deletions
diff --git a/libcrystfel/src/fom.c b/libcrystfel/src/fom.c index ae5b530f..af1ba8fe 100644 --- a/libcrystfel/src/fom.c +++ b/libcrystfel/src/fom.c @@ -855,6 +855,37 @@ int fom_is_anomalous(enum fom_type fom) } +int fom_is_comparison(enum fom_type fom) +{ + switch ( fom ) { + + case FOM_CCANO: + case FOM_RANO: + case FOM_CRDANO: + case FOM_RANORSPLIT: + case FOM_R1I: + case FOM_R1F: + case FOM_R2: + case FOM_RSPLIT: + case FOM_CC: + case FOM_CCSTAR: + case FOM_D1SIG: + case FOM_D2SIG: + return 1; + + case FOM_NUM_MEASUREMENTS: + case FOM_REDUNDANCY: + case FOM_SNR: + case FOM_MEAN_INTENSITY: + case FOM_COMPLETENESS: + return 0; + } + + ERROR("This point never reached\n"); + abort(); +} + + static int is_single_list(enum fom_type fom) { switch ( fom ) { diff --git a/libcrystfel/src/fom.h b/libcrystfel/src/fom.h index 8839b65e..08bc655b 100644 --- a/libcrystfel/src/fom.h +++ b/libcrystfel/src/fom.h @@ -134,6 +134,7 @@ extern int fom_overall_num_possible(struct fom_context *fctx); extern int fom_shell_num_possible(struct fom_context *fctx, int i); extern int fom_is_anomalous(enum fom_type f); +extern int fom_is_comparison(enum fom_type f); extern const char *fom_name(enum fom_type f); diff --git a/src/gui_fom.c b/src/gui_fom.c index 1947f19f..b6231866 100644 --- a/src/gui_fom.c +++ b/src/gui_fom.c @@ -48,18 +48,6 @@ #define MAX_DATASETS (64) -struct fom_dataset -{ - SymOpList *sym; - RefList *all_refls; - RefList *half1; - RefList *half2; - RefList *all_refls_anom; - RefList *half1_anom; - RefList *half2_anom; -}; - - struct fom_window { struct crystfelproject *proj; @@ -73,7 +61,6 @@ struct fom_window int n_datasets; GtkWidget *dataset_checkboxes[MAX_DATASETS]; char *dataset_names[MAX_DATASETS]; - struct fom_dataset datasets[MAX_DATASETS]; int n_foms; GtkWidget *fom_checkboxes[16]; @@ -179,6 +166,9 @@ static void fom_response_sig(GtkWidget *dialog, gint resp, struct gui_merge_result *result; RefList *raw_refl; char *sym_str; + SymOpList *sym; + RefList *all_refls = NULL; + RefList *all_refls_anom = NULL; if ( !menu_selected(f->dataset_checkboxes[ds]) ) continue; @@ -198,20 +188,19 @@ static void fom_response_sig(GtkWidget *dialog, gint resp, reflist_free(raw_refl); continue; } - f->datasets[ds].sym = get_pointgroup(sym_str); + sym = get_pointgroup(sym_str); free(sym_str); fom_select_reflections(raw_refl, - &f->datasets[ds].all_refls, - cell, - f->datasets[ds].sym, + &all_refls, + cell, sym, 1e10/f->proj->fom_res_min, 1e10/f->proj->fom_res_max, f->proj->fom_min_snr, 0, 0, f->proj->fom_min_meas); - if ( f->datasets[ds].all_refls == NULL ) { + if ( all_refls == NULL ) { ERROR("Failed to load dataset '%s'\n", f->dataset_names[ds]); reflist_free(raw_refl); @@ -220,20 +209,20 @@ static void fom_response_sig(GtkWidget *dialog, gint resp, STATUS("%s: accepted %i reflections out of %i\n", result->hkl, - num_reflections(f->datasets[ds].all_refls), + num_reflections(all_refls), num_reflections(raw_refl)); if ( need_ano ) { fom_select_reflections(raw_refl, - &f->datasets[ds].all_refls_anom, + &all_refls_anom, cell, - f->datasets[ds].sym, + sym, 1e10/f->proj->fom_res_min, 1e10/f->proj->fom_res_max, f->proj->fom_min_snr, 0, 0, f->proj->fom_min_meas); - if ( f->datasets[ds].all_refls_anom == NULL ) { + if ( all_refls_anom == NULL ) { ERROR("Failed to load dataset '%s'\n", f->dataset_names[ds]); reflist_free(raw_refl); @@ -251,10 +240,10 @@ static void fom_response_sig(GtkWidget *dialog, gint resp, if ( !fom_selected(f, fom) ) continue; - fctx = fom_calculate(f->datasets[ds].all_refls, + fctx = fom_calculate(all_refls, NULL, cell, shells, f->fom_types[fom], 1, - f->datasets[ds].sym); + sym); if ( fctx == NULL ) { ERROR("Failed to calculate FoM %i for dataset %s\n", f->fom_types[fom], f->dataset_names[ds]); @@ -263,6 +252,10 @@ static void fom_response_sig(GtkWidget *dialog, gint resp, show_fom(f->fom_types[fom], fctx, shells); } + reflist_free(all_refls); + reflist_free(all_refls_anom); + free_symoplist(sym); + } } |