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authorYaroslav Gevorkov <yaroslav.gevorkov@desy.de>2019-05-07 19:26:57 +0200
committerThomas White <taw@physics.org>2019-05-08 10:27:02 +0200
commitc908df3b78051f3c4a08d4114d61b5505ae51afc (patch)
tree2898060c0a024696f2bd71f62643c054f5f7217b /libcrystfel
parentbf602577aa55c0adcbf6b79021d40d2456119bed (diff)
Add new xgandalf options
Diffstat (limited to 'libcrystfel')
-rw-r--r--libcrystfel/src/xgandalf.c15
-rw-r--r--libcrystfel/src/xgandalf.h1
2 files changed, 8 insertions, 8 deletions
diff --git a/libcrystfel/src/xgandalf.c b/libcrystfel/src/xgandalf.c
index 1900d784..98ef44d0 100644
--- a/libcrystfel/src/xgandalf.c
+++ b/libcrystfel/src/xgandalf.c
@@ -203,10 +203,6 @@ void *xgandalf_prepare(IndexingMethod *indm, UnitCell *cell,
FAKE_REFLECTION_RADIUS);
xgandalf_private_data->indexer = IndexerPlain_new(experimentSettings);
- IndexerPlain_setSamplingPitch(xgandalf_private_data->indexer,
- samplingPitch);
- IndexerPlain_setGradientDescentIterationsCount(xgandalf_private_data->indexer,
- gradientDescentIterationsCount);
if (xgandalf_opts->no_deviation_from_provided_cell) {
IndexerPlain_setRefineWithExactLattice(xgandalf_private_data->indexer, 1);
@@ -231,14 +227,17 @@ void *xgandalf_prepare(IndexingMethod *indm, UnitCell *cell,
FAKE_REFLECTION_RADIUS);
xgandalf_private_data->indexer = IndexerPlain_new(experimentSettings);
- IndexerPlain_setSamplingPitch(xgandalf_private_data->indexer,
- samplingPitch);
- IndexerPlain_setGradientDescentIterationsCount(xgandalf_private_data->indexer,
- gradientDescentIterationsCount);
ExperimentSettings_delete(experimentSettings);
}
+ IndexerPlain_setSamplingPitch(xgandalf_private_data->indexer,
+ samplingPitch);
+ IndexerPlain_setGradientDescentIterationsCount(xgandalf_private_data->indexer,
+ gradientDescentIterationsCount);
+ IndexerPlain_setMaxPeaksToUseForIndexing(xgandalf_private_data->indexer,
+ xgandalf_opts->maxPeaksForIndexing);
+
/* Flags that XGANDALF knows about */
*indm &= INDEXING_METHOD_MASK | INDEXING_USE_CELL_PARAMETERS;
diff --git a/libcrystfel/src/xgandalf.h b/libcrystfel/src/xgandalf.h
index 09dbf7d4..23c5c1b0 100644
--- a/libcrystfel/src/xgandalf.h
+++ b/libcrystfel/src/xgandalf.h
@@ -47,6 +47,7 @@ struct xgandalf_options {
unsigned int no_deviation_from_provided_cell;
float minLatticeVectorLength_A;
float maxLatticeVectorLength_A;
+ int maxPeaksForIndexing;
};
#include "index.h"