diff options
| author | Thomas White <taw@physics.org> | 2011-06-17 17:32:35 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:29 +0100 |
| commit | 92a80a18aef4b1e6c1d2416ae881bb5ede663055 (patch) | |
| tree | 9573f5359080ce36da1495a5008230142d0eb72b /src | |
| parent | be3838b21cba88589a95ae3bd63c5b643b2e6002 (diff) | |
Refine against reference reflections as well
Diffstat (limited to 'src')
| -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); |