diff options
| author | Thomas White <taw@physics.org> | 2019-09-05 16:35:51 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2019-09-05 16:35:51 +0200 |
| commit | bf05f19bc1f5ebf9da3fc4252557a1584ed20a28 (patch) | |
| tree | a04136ff52780ccc8fb02e2d89c11805a98179a7 /src | |
| parent | dd9e5a75e115cd5b630d8dac2f6af8fc344f5ad6 (diff) | |
process_hkl: Set kpred for all reflections to image value
Since the prediction calculation isn't called by process_hkl (in
contrast to partialator), a value must still be provided.
Diffstat (limited to 'src')
| -rw-r--r-- | src/process_hkl.c | 15 |
1 files changed, 15 insertions, 0 deletions
diff --git a/src/process_hkl.c b/src/process_hkl.c index 4e31e303..3c5ee15f 100644 --- a/src/process_hkl.c +++ b/src/process_hkl.c @@ -255,6 +255,20 @@ static double *check_hist_size(int n, double *hist_vals) } +static void apply_kpred(double k, RefList *list) +{ + Reflection *refl; + RefListIterator *iter; + + for ( refl = first_refl(list, &iter); + refl != NULL; + refl = next_refl(refl, iter) ) + { + set_kpred(refl, k); + } +} + + static int merge_crystal(RefList *model, struct image *image, Crystal *cr, RefList *reference, const SymOpList *sym, double **hist_vals, signed int hist_h, @@ -271,6 +285,7 @@ static int merge_crystal(RefList *model, struct image *image, Crystal *cr, new_refl = crystal_get_reflections(cr); /* First, correct for polarisation */ + apply_kpred(1.0/image->lambda, new_refl); polarisation_correction(new_refl, crystal_get_cell(cr), p); if ( reference != NULL ) { |