diff options
Diffstat (limited to 'libcrystfel/src/index.c')
| -rw-r--r-- | libcrystfel/src/index.c | 42 |
1 files changed, 34 insertions, 8 deletions
diff --git a/libcrystfel/src/index.c b/libcrystfel/src/index.c index 2b84a621..6a74a958 100644 --- a/libcrystfel/src/index.c +++ b/libcrystfel/src/index.c @@ -55,6 +55,7 @@ #include "geometry.h" #include "cell-utils.h" #include "felix.h" +#include "predict-refine.h" static int debug_index(struct image *image) @@ -234,36 +235,61 @@ void map_all_peaks(struct image *image) static int try_indexer(struct image *image, IndexingMethod indm, IndexingPrivate *ipriv) { + int i, r, n_bad; + switch ( indm & INDEXING_METHOD_MASK ) { case INDEXING_NONE : return 0; case INDEXING_DIRAX : - return run_dirax(image, ipriv); + r = run_dirax(image, ipriv); + break; case INDEXING_ASDF : - return run_asdf(image, ipriv); + r = run_asdf(image, ipriv); + break; case INDEXING_MOSFLM : - return run_mosflm(image, ipriv); + r = run_mosflm(image, ipriv); + break; case INDEXING_XDS : - return run_xds(image, ipriv); + r = run_xds(image, ipriv); + break; case INDEXING_DEBUG : - return debug_index(image); + r = debug_index(image); + break; case INDEXING_FELIX : - return felix_index(image, ipriv); + r = felix_index(image, ipriv); + break; default : ERROR("Unrecognised indexing method: %i\n", indm); - break; + return 0; } - return 0; + /* Attempt prediction refinement */ + n_bad = 0; + for ( i=0; i<r; i++ ) { + Crystal *cr = image->crystals[image->n_crystals-i-1]; + crystal_set_image(cr, image); + crystal_set_user_flag(cr, 0); + crystal_set_profile_radius(cr, 0.02e9); + crystal_set_mosaicity(cr, 0.0); + if ( refine_prediction(image, cr) != 0 ) { + crystal_set_user_flag(cr, 1); + n_bad++; + } + } + + remove_flagged_crystals(image); + + if ( n_bad == r ) return 0; + return r; } |