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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/get_hkl.c
parent509f08dc3216bdb80e04e012e916c019dea31355 (diff)
pattern_sim: Implement phased gradients
Diffstat (limited to 'src/get_hkl.c')
-rw-r--r--src/get_hkl.c10
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;
}