diff options
| author | Thomas White <taw@physics.org> | 2011-03-22 14:59:05 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:20 +0100 |
| commit | 656abb22b20cf9a4a47f6062e80ffa9553d38c0f (patch) | |
| tree | c5079ff1f9af0bed2ed86ff0b0594daa9e63ceff /src/post-refinement.c | |
| parent | 407a74d5f4ad651170707ae762a63c6cbec47205 (diff) | |
partialator: Save reflection list
Diffstat (limited to 'src/post-refinement.c')
| -rw-r--r-- | src/post-refinement.c | 13 |
1 files changed, 8 insertions, 5 deletions
diff --git a/src/post-refinement.c b/src/post-refinement.c index 0bd26f76..d5f9d3f8 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -248,8 +248,8 @@ static void apply_shift(struct image *image, int k, double shift) } -/* Perform one cycle of post refinement on 'image' against 'i_full' */ -static double pr_iterate(struct image *image, const double *i_full, +/* Perform one cycle of post refinement on 'image' against 'full' */ +static double pr_iterate(struct image *image, const RefList *full, const char *sym) { gsl_matrix *M; @@ -277,6 +277,7 @@ static double pr_iterate(struct image *image, const double *i_full, double I_partial; int k; double p; + Reflection *match; get_indices(refl, &hind, &kind, &lind); @@ -286,7 +287,9 @@ static double pr_iterate(struct image *image, const double *i_full, I_partial = get_intensity(refl); get_asymm(hind, kind, lind, &ha, &ka, &la, sym); - I_full = lookup_intensity(i_full, ha, ka, la); + match = find_refl(full, ha, ka, la); + assert(match != NULL); + I_full = get_intensity(match); p = get_partiality(refl); delta_I = I_partial - (p * I_full / image->osf); @@ -338,14 +341,14 @@ static double pr_iterate(struct image *image, const double *i_full, } -void pr_refine(struct image *image, const double *i_full, const char *sym) +void pr_refine(struct image *image, const RefList *full, const char *sym) { double max_shift; int i; i = 0; do { - max_shift = pr_iterate(image, i_full, sym); + max_shift = pr_iterate(image, full, sym); STATUS("Iteration %2i: max shift = %5.2f\n", i, max_shift); i++; } while ( (max_shift > 0.01) && (i < MAX_CYCLES) ); |