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authorThomas White <taw@physics.org>2014-09-09 10:38:56 +0200
committerThomas White <taw@physics.org>2014-09-09 10:42:47 +0200
commit3f8ab3da1cbca9ab821dfa8608bfb7389b99739f (patch)
treeaacdd4d5005e323f30aaba9f75843d981139a35b /src/diffraction.c
parent2f789e6e769f3521e8925c082cf81eddb30f33fe (diff)
pattern_sim: Fix handling of centric reflections
Diffstat (limited to 'src/diffraction.c')
-rw-r--r--src/diffraction.c8
1 files changed, 3 insertions, 5 deletions
diff --git a/src/diffraction.c b/src/diffraction.c
index 6383a8b4..8a50e115 100644
--- a/src/diffraction.c
+++ b/src/diffraction.c
@@ -146,25 +146,23 @@ static double sym_lookup_phase(const double *phases,
signed int h, signed int k, signed int l)
{
int i;
- double ret = 0.0;
for ( i=0; i<num_equivs(sym, NULL); i++ ) {
signed int he;
signed int ke;
signed int le;
- double f, val;
+ double f;
get_equiv(sym, NULL, i, h, k, l, &he, &ke, &le);
f = (double)lookup_arr_flag(flags, he, ke, le);
- val = lookup_arr_phase(phases, he, ke, le);
- ret += f*val;
+ if ( f ) return lookup_arr_phase(phases, he, ke, le);
}
- return ret;
+ return 0.0;
}