diff options
author | Thomas White <taw@physics.org> | 2009-11-24 14:35:44 +0100 |
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committer | Thomas White <taw@physics.org> | 2009-11-24 14:35:44 +0100 |
commit | de7b663ec080453867061400f9c59bd8fce9b6de (patch) | |
tree | ac504efe7cdc398dd001264fd1776b78a45f45c5 /src/main.c | |
parent | a2ba8dccb91ec900e45280d1f596507198007419 (diff) |
Only calculate molecular transform at Bragg positions
Diffstat (limited to 'src/main.c')
-rw-r--r-- | src/main.c | 11 |
1 files changed, 1 insertions, 10 deletions
@@ -41,7 +41,6 @@ static void main_show_help(const char *s) int main(int argc, char *argv[]) { int c, done; - UnitCell *cell; struct image image; char filename[1024]; int number = 1; @@ -59,14 +58,6 @@ int main(int argc, char *argv[]) } - /* Define unit cell */ - cell = cell_new_from_parameters(28.10e-9, - 28.10e-9, - 16.52e-9, - deg2rad(90.0), - deg2rad(90.0), - deg2rad(120.0)); - /* Define image parameters */ image.width = 1024; image.height = 1024; @@ -124,7 +115,7 @@ again: image.twotheta = NULL; image.hdr = NULL; - get_diffraction(&image, cell); + get_diffraction(&image); record_image(&image); snprintf(filename, 1023, "results/sim-%i.h5", number); |