diff options
| author | Thomas White <taw@bitwiz.org.uk> | 2010-02-02 15:04:41 +0100 |
|---|---|---|
| committer | Thomas White <taw@bitwiz.org.uk> | 2010-02-02 15:04:41 +0100 |
| commit | 9c3d9caa7b6fd066c53abf5773a05a83b30d3688 (patch) | |
| tree | 6fba37776a649eb2e36dd82ad77b25e18d10246c /src/pattern_sim.c | |
| parent | d19a20b8c457e7e433dcd18e857de34f3f73f834 (diff) | |
Match the unit cell to a model cell after indexing
Diffstat (limited to 'src/pattern_sim.c')
| -rw-r--r-- | src/pattern_sim.c | 4 |
1 files changed, 2 insertions, 2 deletions
diff --git a/src/pattern_sim.c b/src/pattern_sim.c index 9e4abf90..7a27ceb6 100644 --- a/src/pattern_sim.c +++ b/src/pattern_sim.c @@ -218,7 +218,7 @@ int main(int argc, char *argv[]) image.camera_len = 0.05; /* 5 cm (front CCD can move from 5cm-20cm) */ image.resolution = 13333.3; /* 75 micron pixel size */ image.lambda = ph_en_to_lambda(eV_to_J(2.0e3)); /* Wavelength */ - image.molecule = NULL; + image.molecule = load_molecule(); /* Splurge a few useful numbers */ STATUS("Wavelength is %f nm\n", image.lambda/1.0e-9); @@ -263,7 +263,7 @@ int main(int argc, char *argv[]) !config_nobloom); if ( config_nearbragg ) { - output_intensities(&image); + output_intensities(&image, image.molecule->cell); } if ( !config_noimages ) { |