From 35702bb6c290c271bf097130cdd698b99731186c Mon Sep 17 00:00:00 2001 From: Thomas White Date: Fri, 14 Nov 2014 15:51:09 +0100 Subject: pattern_sim, partial_sim: List all simulation parameters at start --- src/partial_sim.c | 27 ++++++++++++++++++++++++++- 1 file changed, 26 insertions(+), 1 deletion(-) (limited to 'src/partial_sim.c') diff --git a/src/partial_sim.c b/src/partial_sim.c index d2229f39..1252cd86 100644 --- a/src/partial_sim.c +++ b/src/partial_sim.c @@ -721,7 +721,6 @@ int main(int argc, char *argv[]) input_file); return 1; } - free(input_file); if ( check_list_symmetry(full, sym) ) { ERROR("The input reflection list does not appear to" " have symmetry %s\n", symmetry_name(sym)); @@ -769,6 +768,31 @@ int main(int argc, char *argv[]) image.spectrum_size = 0; image.event = NULL; + STATUS("Simulation parameters:\n"); + STATUS(" Photon energy: %.2f eV (wavelength %.5f A)\n", + photon_energy, image.lambda*1e10); + STATUS(" Beam divergence: %.5f mrad\n", image.div*1e3); + STATUS(" Beam bandwidth: %.5f %%\n", image.bw*100.0); + STATUS("Reciprocal space profile radius: %e m^-1\n", profile_radius); + if ( image_prefix != NULL ) { + STATUS(" Background: %.2f detector units\n", + background); + } else { + STATUS(" Background: none (no image " + "output\n"); + } + STATUS(" Partiality model: scsphere (hardcoded)\n"); + STATUS(" Noise standard deviation: %.2f detector units\n", + noise_stddev); + if ( random_intensities ) { + STATUS(" Full intensities: randomly generated: " + "abs(Gaussian(sigma=%.2f))\n", full_stddev); + } else { + STATUS(" Full intensities: from %s\n", + input_file); + } + STATUS(" Max error in cell components: %.2f %%\n", cnoise); + if ( random_intensities ) { full = reflist_new(); } @@ -902,6 +926,7 @@ int main(int argc, char *argv[]) reflist_free(full); free(save_file); free(geomfile); + free(input_file); return 0; } -- cgit v1.2.3