From de7b663ec080453867061400f9c59bd8fce9b6de Mon Sep 17 00:00:00 2001 From: Thomas White Date: Tue, 24 Nov 2009 14:35:44 +0100 Subject: Only calculate molecular transform at Bragg positions --- src/main.c | 11 +---------- 1 file changed, 1 insertion(+), 10 deletions(-) (limited to 'src/main.c') diff --git a/src/main.c b/src/main.c index b7755ce6..f3aeadfc 100644 --- a/src/main.c +++ b/src/main.c @@ -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); -- cgit v1.2.3