From e3d41026e188d6225c16a86accab05a6897977f6 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Fri, 19 Feb 2010 14:49:36 +0100 Subject: Push particle size display up to top level --- src/pattern_sim.c | 11 ++++++++--- 1 file changed, 8 insertions(+), 3 deletions(-) (limited to 'src/pattern_sim.c') diff --git a/src/pattern_sim.c b/src/pattern_sim.c index a64c754b..c722d2f9 100644 --- a/src/pattern_sim.c +++ b/src/pattern_sim.c @@ -256,10 +256,11 @@ int main(int argc, char *argv[]) do { int na, nb, nc; + double a, b, c, d; - na = 8;//*random()/RAND_MAX + 4; - nb = 8;//*random()/RAND_MAX + 4; - nc = 16;//*random()/RAND_MAX + 30; + na = 8*random()/RAND_MAX + 4; + nb = 8*random()/RAND_MAX + 4; + nc = 16*random()/RAND_MAX + 30; /* Read quaternion from stdin */ if ( config_randomquat ) { @@ -283,6 +284,10 @@ int main(int argc, char *argv[]) image.twotheta = NULL; image.hdr = NULL; + cell_get_parameters(image.molecule->cell, &a, &b, &c, &d, &d, &d); + STATUS("Particle size = %i x %i x %i (=%5.2f x %5.2f x %5.2f nm)\n", + na, nb, nc, na*a/1.0e-9, nb*b/1.0e-9, nc*c/1.0e-9); + if ( config_gpu ) { get_diffraction_gpu(&image, na, nb, nc, config_nosfac); } else { -- cgit v1.2.3