diff options
| author | Thomas White <taw@physics.org> | 2024-06-26 16:22:18 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2024-06-26 16:22:18 +0200 |
| commit | ff41a92ffff5345c3466ab0d240595ac5687ad57 (patch) | |
| tree | 25ade681a732f4c5db3dba9de35b25c8d51cf257 /libcrystfel | |
| parent | 5a8f99bd6fe7a1d453f9b17e6e9973dde1fdedc1 (diff) | |
These need the true geometrical parameters of the reflection, not the
asymmetric unit versions. In the current code flow, there is no
difference. However, if we go back to gradient-based post-refinement,
the old version would have broken in a strange way.
Diffstat (limited to 'libcrystfel')
| -rw-r--r-- | libcrystfel/src/predict-refine.c | 4 |
1 files changed, 2 insertions, 2 deletions
diff --git a/libcrystfel/src/predict-refine.c b/libcrystfel/src/predict-refine.c index b8a3893c..083d86c5 100644 --- a/libcrystfel/src/predict-refine.c +++ b/libcrystfel/src/predict-refine.c @@ -150,7 +150,7 @@ int fs_ss_gradient_physics(int param, Reflection *refl, UnitCell *cell, gsl_vector *dRdp; gsl_vector *v; - get_indices(refl, &h, &k, &l); + get_symmetric_indices(refl, &h, &k, &l); dRdp = gsl_vector_calloc(3); @@ -302,7 +302,7 @@ int fs_ss_gradient(int param, Reflection *refl, UnitCell *cell, double mu; double fs, ss; - get_indices(refl, &h, &k, &l); + get_symmetric_indices(refl, &h, &k, &l); kpred = get_kpred(refl); cell_get_reciprocal(cell, &asx, &asy, &asz, &bsx, &bsy, &bsz, |