diff options
Diffstat (limited to 'src/get_hkl.c')
| -rw-r--r-- | src/get_hkl.c | 10 |
1 files changed, 8 insertions, 2 deletions
diff --git a/src/get_hkl.c b/src/get_hkl.c index d59af595..5e27f2a1 100644 --- a/src/get_hkl.c +++ b/src/get_hkl.c @@ -109,6 +109,7 @@ int main(int argc, char *argv[]) int config_za = 0; char *output = NULL; unsigned int *counts; + unsigned int *cts; signed int h, k, l; /* Long options */ @@ -153,7 +154,8 @@ int main(int argc, char *argv[]) } mol = load_molecule(); - ideal_ref = get_reflections(mol, eV_to_J(1790.0), 1/(0.6e-9)); + cts = new_list_count(); + ideal_ref = get_reflections(mol, eV_to_J(1790.0), 1/(0.6e-9), cts); counts = new_list_count(); @@ -166,10 +168,14 @@ int main(int argc, char *argv[]) } else { + /* No template? Then only mark reflections which were + * calculated. */ for ( h=-INDMAX; h<=INDMAX; h++ ) { for ( k=-INDMAX; k<=INDMAX; k++ ) { for ( l=-INDMAX; l<=INDMAX; l++ ) { - set_count(counts, h, k, l, 1); + unsigned int c; + c = lookup_count(cts, h, k, l); + set_count(counts, h, k, l, c); } } } |