From f1cb293e305fed8e1790ca24d46a6a1e219b1ed7 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Fri, 1 Mar 2013 14:51:06 +0100 Subject: Warn about MOSFLM unit cell settings --- libcrystfel/src/mosflm.c | 12 ++++++++++++ 1 file changed, 12 insertions(+) diff --git a/libcrystfel/src/mosflm.c b/libcrystfel/src/mosflm.c index 187d0c9b..c92ef343 100644 --- a/libcrystfel/src/mosflm.c +++ b/libcrystfel/src/mosflm.c @@ -829,6 +829,18 @@ IndexingPrivate *mosflm_prepare(IndexingMethod *indm, UnitCell *cell, | INDEXING_CHECK_CELL_AXES | INDEXING_CHECK_PEAKS | INDEXING_USE_LATTICE_TYPE; + if ( *indm & INDEXING_USE_LATTICE_TYPE ) { + if ( !((*indm & INDEXING_CHECK_CELL_COMBINATIONS) + || (*indm & INDEXING_CHECK_CELL_AXES)) ) { + ERROR("WARNING: The unit cell from %s might have had " + "its axes permuted from the unit cell you gave.\n" + "If this is a problem, consider using " + "mosflm-axes-latt or mosflm-comb-latt instead of " + "mosflm-raw-latt.\n", indexer_str(*indm)); + } + + } + mp = malloc(sizeof(struct mosflm_private)); if ( mp == NULL ) return NULL; -- cgit v1.2.3