From a877032729392486329ca532dac309dd09c8ae89 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Fri, 26 Feb 2010 19:00:49 +0100 Subject: Fix and tidy up indexamajig --simulate --- src/indexamajig.c | 19 ++++++------------- 1 file changed, 6 insertions(+), 13 deletions(-) (limited to 'src/indexamajig.c') 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 ) { -- cgit v1.2.3