diff options
Diffstat (limited to 'src/partialator.c')
| -rw-r--r-- | src/partialator.c | 19 |
1 files changed, 13 insertions, 6 deletions
diff --git a/src/partialator.c b/src/partialator.c index 64546a7b..e3eccafb 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -171,7 +171,7 @@ int main(int argc, char *argv[]) char *cref; int n_usable_patterns = 0; char *reference_file = NULL; - RefList *reference; + double *reference = NULL; /* Long options */ const struct option longopts[] = { @@ -230,7 +230,7 @@ int main(int argc, char *argv[]) break; case 1 : - reference = strdup(optarg); + reference_file = strdup(optarg); break; case 0 : @@ -278,9 +278,15 @@ int main(int argc, char *argv[]) } if ( reference_file != NULL ) { - reference = read_reflections(reference_file); + RefList *list; + RefList *symmed; + list = read_reflections(reference_file); free(reference_file); - if ( reference == NULL ) return 1; + if ( list == NULL ) return 1; + symmed = asymmetric_indices(list, sym); + reflist_free(list); + reference = intensities_from_list(symmed); + reflist_free(symmed); } n_total_patterns = count_patterns(fh); @@ -360,7 +366,7 @@ int main(int argc, char *argv[]) /* Make initial estimates */ STATUS("Performing initial scaling.\n"); full = scale_intensities(images, n_usable_patterns, sym, - scalable, cref); + scalable, cref, reference); for ( i=0; i<num_items(scalable); i++ ) { Reflection *f; @@ -425,7 +431,7 @@ int main(int argc, char *argv[]) /* Re-estimate all the full intensities */ reflist_free(full); full = scale_intensities(images, n_usable_patterns, - sym, scalable, cref); + sym, scalable, cref, reference); fclose(fhg); fclose(fhp); @@ -451,6 +457,7 @@ int main(int argc, char *argv[]) free_detector_geometry(det); free(beam); free(cref); + free(reference); for ( i=0; i<n_usable_patterns; i++ ) { cell_free(images[i].indexed_cell); free(images[i].filename); |