aboutsummaryrefslogtreecommitdiff
path: root/libcrystfel/src/xgandalf.c
diff options
context:
space:
mode:
Diffstat (limited to 'libcrystfel/src/xgandalf.c')
-rw-r--r--libcrystfel/src/xgandalf.c12
1 files changed, 6 insertions, 6 deletions
diff --git a/libcrystfel/src/xgandalf.c b/libcrystfel/src/xgandalf.c
index 5f31df33..51819956 100644
--- a/libcrystfel/src/xgandalf.c
+++ b/libcrystfel/src/xgandalf.c
@@ -46,7 +46,7 @@ struct xgandalf_private_data {
IndexingMethod indm;
UnitCell *cellTemplate;
Lattice_t sampleRealLattice_A; //same as cellTemplate
- UnitCellTransformation *uncenteringTransformation;
+ IntegerMatrix *centeringTransformation;
LatticeTransform_t latticeReductionTransform;
};
@@ -114,7 +114,7 @@ int run_xgandalf(struct image *image, void *ipriv)
if(xgandalf_private_data->cellTemplate != NULL){
restoreCell(uc, &xgandalf_private_data->latticeReductionTransform);
- UnitCell *new_cell_trans = cell_transform_inverse(uc, xgandalf_private_data->uncenteringTransformation);
+ UnitCell *new_cell_trans = cell_transform_intmat(uc, xgandalf_private_data->centeringTransformation);
cell_free(uc);
uc = new_cell_trans;
@@ -147,7 +147,7 @@ void *xgandalf_prepare(IndexingMethod *indm, UnitCell *cell,
allocReciprocalPeaks(&(xgandalf_private_data->reciprocalPeaks_1_per_A));
xgandalf_private_data->indm = *indm;
xgandalf_private_data->cellTemplate = NULL;
- xgandalf_private_data->uncenteringTransformation = NULL;
+ xgandalf_private_data->centeringTransformation = NULL;
float tolerance = xgandalf_opts->tolerance;
samplingPitch_t samplingPitch = xgandalf_opts->sampling_pitch;
@@ -157,7 +157,7 @@ void *xgandalf_prepare(IndexingMethod *indm, UnitCell *cell,
xgandalf_private_data->cellTemplate = cell;
- UnitCell* primitiveCell = uncenter_cell(cell, &xgandalf_private_data->uncenteringTransformation);
+ UnitCell* primitiveCell = uncenter_cell(cell, &xgandalf_private_data->centeringTransformation, NULL);
UnitCell *uc = cell_new_from_cell(primitiveCell);
reduceCell(primitiveCell, &xgandalf_private_data->latticeReductionTransform);
@@ -250,8 +250,8 @@ void xgandalf_cleanup(void *pp)
freeReciprocalPeaks(xgandalf_private_data->reciprocalPeaks_1_per_A);
IndexerPlain_delete(xgandalf_private_data->indexer);
- if(xgandalf_private_data->uncenteringTransformation != NULL){
- tfn_free(xgandalf_private_data->uncenteringTransformation);
+ if(xgandalf_private_data->centeringTransformation != NULL){
+ intmat_free(xgandalf_private_data->centeringTransformation);
}
free(xgandalf_private_data);
}