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authorThomas White <taw@physics.org>2017-09-08 11:41:51 +0200
committerThomas White <taw@physics.org>2017-09-15 14:31:01 +0200
commit60c48f3876b0d3c30bf729ce691dbd3f56665c4c (patch)
tree44868373d7053924a3de614568cdc148e01de61e /libcrystfel/src/dirax.c
parent3f1c6a1fbc241721aafeb9e1e6c0cbdb1eb810b5 (diff)
Simplify indexing options
mosflm-cell-nolatt-multi-refine-bad-retry.... it's all getting a bit too much. This commit removes all the options from the indexing methods except for the prior information flags (cell/nocell and latt/nolatt). All the other options are now given at the top level with new indexamajig options, e.g. --no-multi and --no-retry. They are applied to all the methods, with no option to (say) use retry for one method and not for another. This also makes the "peak alignment test" default to OFF, and multi-lattice indexing ON. I think that the prediction refinement does a good enough job of checking the validity of indexing solutions, allowing us to turn off the alignment check which filters out most multi-lattice solutions.
Diffstat (limited to 'libcrystfel/src/dirax.c')
-rw-r--r--libcrystfel/src/dirax.c31
1 files changed, 2 insertions, 29 deletions
diff --git a/libcrystfel/src/dirax.c b/libcrystfel/src/dirax.c
index b263eea0..29b735ad 100644
--- a/libcrystfel/src/dirax.c
+++ b/libcrystfel/src/dirax.c
@@ -108,39 +108,14 @@ struct dirax_data {
static int check_cell(struct dirax_private *dp, struct image *image,
UnitCell *cell)
{
- UnitCell *out;
Crystal *cr;
- if ( dp->indm & INDEXING_CHECK_CELL_COMBINATIONS ) {
-
- out = match_cell(cell, dp->template, 0, dp->ltl, 1);
- if ( out == NULL ) return 0;
-
- } else if ( dp->indm & INDEXING_CHECK_CELL_AXES ) {
-
- out = match_cell(cell, dp->template, 0, dp->ltl, 0);
- if ( out == NULL ) return 0;
-
- } else {
- out = cell_new_from_cell(cell);
- }
-
cr = crystal_new();
if ( cr == NULL ) {
ERROR("Failed to allocate crystal.\n");
return 0;
}
-
- crystal_set_cell(cr, out);
-
- if ( dp->indm & INDEXING_CHECK_PEAKS ) {
- if ( !peak_sanity_check(image, &cr, 1) ) {
- crystal_free(cr); /* Frees the cell as well */
- cell_free(out);
- return 0;
- }
- }
-
+ crystal_set_cell(cr, cell);
image_add_crystal(image, cr);
return 1;
@@ -655,9 +630,7 @@ void *dirax_prepare(IndexingMethod *indm, UnitCell *cell,
}
/* Flags that DirAx knows about */
- *indm &= INDEXING_METHOD_MASK | INDEXING_CHECK_CELL_COMBINATIONS
- | INDEXING_CHECK_CELL_AXES | INDEXING_CHECK_PEAKS
- | INDEXING_CONTROL_FLAGS;
+ *indm &= INDEXING_METHOD_MASK;
dp = malloc(sizeof(struct dirax_private));
if ( dp == NULL ) return NULL;