diff options
| author | Thomas White <taw@physics.org> | 2015-06-25 16:33:44 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2015-06-25 16:36:33 +0200 |
| commit | 33a0ef4d46dff8281743359697178085fa551049 (patch) | |
| tree | 830ef8024d1fc49d9e5c61a3ed16ef5181304be3 /libcrystfel/src/mosflm.c | |
| parent | 3bd690ded0b78ae41f6e3cd34196b0e3287e10f3 (diff) | |
Set MOSFLM default flags to include cell parameters, and add some checks
Diffstat (limited to 'libcrystfel/src/mosflm.c')
| -rw-r--r-- | libcrystfel/src/mosflm.c | 14 |
1 files changed, 13 insertions, 1 deletions
diff --git a/libcrystfel/src/mosflm.c b/libcrystfel/src/mosflm.c index c384fec2..4eac7874 100644 --- a/libcrystfel/src/mosflm.c +++ b/libcrystfel/src/mosflm.c @@ -852,11 +852,13 @@ IndexingPrivate *mosflm_prepare(IndexingMethod *indm, UnitCell *cell, /* Check if cell parameters are needed/provided */ if ( *indm & INDEXING_CHECK_CELL_COMBINATIONS ) need_cell = 1; if ( *indm & INDEXING_CHECK_CELL_AXES ) need_cell = 1; + if ( *indm & INDEXING_USE_CELL_PARAMETERS ) need_cell = 1; if ( need_cell && !cell_has_parameters(cell) ) { ERROR("Altering your MOSFLM flags because cell parameters were" " not provided.\n"); *indm &= ~INDEXING_CHECK_CELL_COMBINATIONS; *indm &= ~INDEXING_CHECK_CELL_AXES; + *indm &= ~INDEXING_USE_CELL_PARAMETERS; } /* Check if lattice type information is needed/provided */ @@ -869,7 +871,7 @@ IndexingPrivate *mosflm_prepare(IndexingMethod *indm, UnitCell *cell, /* Flags that MOSFLM knows about */ *indm &= INDEXING_METHOD_MASK | INDEXING_CHECK_CELL_COMBINATIONS | INDEXING_CHECK_CELL_AXES | INDEXING_CHECK_PEAKS - | INDEXING_USE_LATTICE_TYPE| INDEXING_USE_CELL_PARAMETERS;; + | INDEXING_USE_LATTICE_TYPE| INDEXING_USE_CELL_PARAMETERS; if ( (*indm & INDEXING_USE_LATTICE_TYPE) && !((*indm & INDEXING_CHECK_CELL_COMBINATIONS) @@ -884,7 +886,17 @@ IndexingPrivate *mosflm_prepare(IndexingMethod *indm, UnitCell *cell, "If this is a problem, consider using " "mosflm-axes-latt or mosflm-comb-latt instead of " "mosflm-raw-latt.\n", indexer_str(*indm)); + /* It'll be OK if INDEXING_CHECK_CELL_PARAMETERS and + * MOSFLM 7.2.0 or later, but that's getting a bit too + * complicated to explain to the user. */ + } + if ( (*indm & INDEXING_USE_CELL_PARAMETERS) + && !((*indm & INDEXING_CHECK_CELL_COMBINATIONS) + || (*indm & INDEXING_CHECK_CELL_AXES)) ) + { + ERROR("WARNING: Using 'mosflm-raw' but providing cell " + "parameters as prior information to mosflm.\n"); } mp = malloc(sizeof(struct mosflm_private)); |