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authorThomas White <taw@bitwiz.org.uk>2010-06-05 20:02:22 +0200
committerThomas White <taw@bitwiz.org.uk>2010-06-05 20:02:22 +0200
commit8ead809d4fb09047e7c146d405dbc0e97103ec3c (patch)
treed05b218def2ebffb0460905ca8214ca53735d819 /src/sfac.c
parent509f08dc3216bdb80e04e012e916c019dea31355 (diff)
pattern_sim: Implement phased gradients
Diffstat (limited to 'src/sfac.c')
-rw-r--r--src/sfac.c3
1 files changed, 2 insertions, 1 deletions
diff --git a/src/sfac.c b/src/sfac.c
index aa7b3bf6..a8b94051 100644
--- a/src/sfac.c
+++ b/src/sfac.c
@@ -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);
}