diff options
| -rw-r--r-- | libcrystfel/src/index.c | 33 |
1 files changed, 28 insertions, 5 deletions
diff --git a/libcrystfel/src/index.c b/libcrystfel/src/index.c index 89a98920..028ba5e9 100644 --- a/libcrystfel/src/index.c +++ b/libcrystfel/src/index.c @@ -334,11 +334,34 @@ static int try_indexer(struct image *image, IndexingMethod indm, crystal_set_mosaicity(cr, 0.0); /* Prediction refinement if requested */ - if ( (indm & INDEXING_REFINE) - && (refine_prediction(image, cr) != 0) ) - { - crystal_set_user_flag(cr, 1); - n_bad++; + if ( indm & INDEXING_REFINE ) { + + UnitCell *out; + + if ( refine_prediction(image, cr) ) { + crystal_set_user_flag(cr, 1); + n_bad++; + } + + if ( (indm & INDEXING_CHECK_CELL_COMBINATIONS) + || (indm & INDEXING_CHECK_CELL_AXES) ) + { + + /* Check that the cell parameters are still + * within the tolerance */ + out = match_cell(crystal_get_cell(cr), + ipriv->target_cell, 0, + ipriv->tolerance, 0); + + if ( out == NULL ) { + crystal_set_user_flag(cr, 1); + n_bad++; + } + + cell_free(out); + + } + } } |