diff options
| author | Thomas White <taw@physics.org> | 2010-02-19 14:49:36 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2010-02-19 14:49:36 +0100 |
| commit | e3d41026e188d6225c16a86accab05a6897977f6 (patch) | |
| tree | af1bb2e733318dc4251bab03527e2db90086e2b5 /src/pattern_sim.c | |
| parent | fc02994d90af08bc4d0656dfb3b12566177a6ff1 (diff) | |
Push particle size display up to top level
Diffstat (limited to 'src/pattern_sim.c')
| -rw-r--r-- | src/pattern_sim.c | 11 |
1 files changed, 8 insertions, 3 deletions
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 { |