diff options
Diffstat (limited to 'src/get_hkl.c')
| -rw-r--r-- | src/get_hkl.c | 10 |
1 files changed, 7 insertions, 3 deletions
diff --git a/src/get_hkl.c b/src/get_hkl.c index 735ae52a..e6fe4cee 100644 --- a/src/get_hkl.c +++ b/src/get_hkl.c @@ -106,6 +106,7 @@ int main(int argc, char *argv[]) { int c; double *ideal_ref; + double *phases; struct molecule *mol; char *template = NULL; int config_noisify = 0; @@ -177,10 +178,12 @@ int main(int argc, char *argv[]) mol = load_molecule(filename); cts = new_list_count(); + phases = new_list_intensity(); /* "intensity" type used for phases */ if ( input == NULL ) { - ideal_ref = get_reflections(mol, eV_to_J(1790.0), 1/(0.05e-9), cts); + ideal_ref = get_reflections(mol, eV_to_J(1790.0), 1/(0.05e-9), + cts, phases); } else { - ideal_ref = read_reflections(input, cts); + ideal_ref = read_reflections(input, cts, phases); free(input); } @@ -243,7 +246,8 @@ int main(int argc, char *argv[]) } - write_reflections(output, counts, ideal_ref, config_za, mol->cell, 1); + write_reflections(output, counts, ideal_ref, phases, + config_za, mol->cell, 1); return 0; } |