diff options
-rw-r--r-- | src/indexamajig.c | 14 |
1 files changed, 7 insertions, 7 deletions
diff --git a/src/indexamajig.c b/src/indexamajig.c index 3142b748..53c947d1 100644 --- a/src/indexamajig.c +++ b/src/indexamajig.c @@ -169,6 +169,13 @@ int main(int argc, char *argv[]) if ( config_nearbragg || config_simulate ) { + /* Simulate a diffraction pattern */ + image.sfacs = NULL; + image.data = NULL; + image.qvecs = NULL; + image.twotheta = NULL; + image.hdr = NULL; + /* View head-on (unit cell is tilted) */ image.orientation.w = 1.0; image.orientation.x = 0.0; @@ -185,13 +192,6 @@ int main(int argc, char *argv[]) if ( config_simulate ) { - /* Simulate a diffraction pattern */ - image.sfacs = NULL; - image.data = NULL; - image.twotheta = NULL; - image.hdr = NULL; - image.molecule = NULL; - get_diffraction(&image, 8, 8, 8); if ( image.molecule == NULL ) { ERROR("Couldn't open molecule.pdb\n"); |