From 8ead809d4fb09047e7c146d405dbc0e97103ec3c Mon Sep 17 00:00:00 2001 From: Thomas White Date: Sat, 5 Jun 2010 20:02:22 +0200 Subject: pattern_sim: Implement phased gradients --- src/sfac.c | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) (limited to 'src/sfac.c') 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); } -- cgit v1.2.3