diff options
| -rw-r--r-- | src/partialator.c | 18 |
1 files changed, 10 insertions, 8 deletions
diff --git a/src/partialator.c b/src/partialator.c index 2fcfbd46..ac505901 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -175,6 +175,7 @@ int main(int argc, char *argv[]) int n_usable_patterns = 0; char *reference_file = NULL; double *reference = NULL; + RefList *reference_list = NULL; /* Long options */ const struct option longopts[] = { @@ -283,14 +284,14 @@ int main(int argc, char *argv[]) if ( reference_file != NULL ) { RefList *list; - RefList *symmed; + list = read_reflections(reference_file); free(reference_file); if ( list == NULL ) return 1; - symmed = asymmetric_indices(list, sym); + reference_list = asymmetric_indices(list, sym); reflist_free(list); - reference = intensities_from_list(symmed); - reflist_free(symmed); + reference = intensities_from_list(reference_list); + } n_total_patterns = count_patterns(fh); @@ -429,11 +430,11 @@ int main(int argc, char *argv[]) /* Nothing will be written later */ } + if ( reference == NULL ) reference_list = full; + /* Refine the geometry of all patterns to get the best fit */ - /* FIXME: Refine against reference intensity if present */ - /* FIXME: Speedup by using array instead of RefList for 'full'? */ - refine_all(images, n_total_patterns, det, sym, scalable, full, - nthreads, fhg, fhp); + refine_all(images, n_usable_patterns, det, sym, scalable, + reference_list, nthreads, fhg, fhp); /* Re-estimate all the full intensities */ reflist_free(full); @@ -465,6 +466,7 @@ int main(int argc, char *argv[]) free(beam); free(cref); free(reference); + reflist_free(reference_list); for ( i=0; i<n_usable_patterns; i++ ) { cell_free(images[i].indexed_cell); free(images[i].filename); |