diff options
| -rw-r--r-- | libcrystfel/src/index.h | 2 | ||||
| -rw-r--r-- | libcrystfel/src/xds.c | 9 |
2 files changed, 11 insertions, 0 deletions
diff --git a/libcrystfel/src/index.h b/libcrystfel/src/index.h index 8961c8aa..e71a4c6f 100644 --- a/libcrystfel/src/index.h +++ b/libcrystfel/src/index.h @@ -54,8 +54,10 @@ | INDEXING_USE_CELL_PARAMETERS \ | INDEXING_CHECK_PEAKS) +/* Axis check is needed for XDS, because it likes to permute the axes */ #define INDEXING_DEFAULTS_XDS (INDEXING_XDS | INDEXING_USE_LATTICE_TYPE \ | INDEXING_USE_CELL_PARAMETERS \ + | INDEXING_CHECK_CELL_AXES \ | INDEXING_CHECK_PEAKS) /** diff --git a/libcrystfel/src/xds.c b/libcrystfel/src/xds.c index 83d2cab4..33bbe2da 100644 --- a/libcrystfel/src/xds.c +++ b/libcrystfel/src/xds.c @@ -677,6 +677,15 @@ IndexingPrivate *xds_prepare(IndexingMethod *indm, UnitCell *cell, return NULL; } + if ( ((*indm & INDEXING_USE_CELL_PARAMETERS) + || (*indm & INDEXING_USE_LATTICE_TYPE)) + && !(*indm & INDEXING_CHECK_CELL_AXES) + && !(*indm & INDEXING_CHECK_CELL_COMBINATIONS) ) { + ERROR("The cell from xds-raw-cell or xds-raw-latt may have had" + " its axes permuted from the cell you provided. If this" + " is a problem, consider using xds-axes-cell.\n"); + } + xp = calloc(1, sizeof(*xp)); if ( xp == NULL ) return NULL; |