diff options
Diffstat (limited to 'src/indexamajig.c')
| -rw-r--r-- | src/indexamajig.c | 19 |
1 files changed, 6 insertions, 13 deletions
diff --git a/src/indexamajig.c b/src/indexamajig.c index d3cbfcb6..b793f4e4 100644 --- a/src/indexamajig.c +++ b/src/indexamajig.c @@ -218,9 +218,14 @@ int main(int argc, char *argv[]) n_hits++; + /* Measure intensities if requested */ + if ( config_nearbragg ) { + output_intensities(&image, image.indexed_cell); + } + /* Simulation or intensity measurements both require * Ewald sphere vectors */ - if ( config_nearbragg || config_simulate ) { + if ( config_simulate ) { /* Simulate a diffraction pattern */ image.twotheta = NULL; @@ -232,18 +237,6 @@ int main(int argc, char *argv[]) image.orientation.y = 0.0; image.orientation.z = 0.0; - } - - /* Measure intensities if requested */ - if ( config_nearbragg ) { - output_intensities(&image, image.indexed_cell); - } - - /* Simulate pattern if requested */ - if ( config_simulate ) { - - image.data = NULL; - image.molecule->cell = image.indexed_cell; if ( config_gpu ) { |