diff options
author | Thomas White <taw@bitwiz.org.uk> | 2010-06-05 20:02:22 +0200 |
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committer | Thomas White <taw@bitwiz.org.uk> | 2010-06-05 20:02:22 +0200 |
commit | 8ead809d4fb09047e7c146d405dbc0e97103ec3c (patch) | |
tree | d05b218def2ebffb0460905ca8214ca53735d819 /src/sfac.c | |
parent | 509f08dc3216bdb80e04e012e916c019dea31355 (diff) |
pattern_sim: Implement phased gradients
Diffstat (limited to 'src/sfac.c')
-rw-r--r-- | src/sfac.c | 3 |
1 files changed, 2 insertions, 1 deletions
@@ -491,7 +491,7 @@ void free_molecule(struct molecule *mol) double *get_reflections(struct molecule *mol, double en, double res, - unsigned int *counts) + unsigned int *counts, double *phases) { double *reflections; double asx, asy, asz; @@ -555,6 +555,7 @@ double *get_reflections(struct molecule *mol, double en, double res, } set_intensity(reflections, h, k, l, pow(cabs(F), 2.0)); + if ( phases != NULL ) set_phase(phases, h, k, l, carg(F)); set_count(counts, h, k, l, 1); } |