diff options
| author | Thomas White <taw@physics.org> | 2011-07-18 18:25:22 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:33 +0100 |
| commit | df9457eb78539b1f577a71db27dcf75d8ab4ad85 (patch) | |
| tree | 01ff045e6b4f5df341c276bdfe32d82dfd4567e2 /src/pattern_sim.c | |
| parent | 8e9f89cb00f783b23b3c004976fb08b56819fe64 (diff) | |
Missed this one
Diffstat (limited to 'src/pattern_sim.c')
| -rw-r--r-- | src/pattern_sim.c | 16 |
1 files changed, 10 insertions, 6 deletions
diff --git a/src/pattern_sim.c b/src/pattern_sim.c index e72c023d..0c35cc89 100644 --- a/src/pattern_sim.c +++ b/src/pattern_sim.c @@ -222,7 +222,8 @@ int main(int argc, char *argv[]) int random_size = 0; double min_size = 0.0; double max_size = 0.0; - char *sym = NULL; + char *sym_str = NULL; + SymOpList *sym; /* Long options */ const struct option longopts[] = { @@ -298,7 +299,7 @@ int main(int argc, char *argv[]) break; case 'y' : - sym = strdup(optarg); + sym_str = strdup(optarg); break; case 2 : @@ -358,7 +359,9 @@ int main(int argc, char *argv[]) } } - if ( sym == NULL ) sym = strdup("1"); + if ( sym_str == NULL ) sym_str = strdup("1"); + sym = get_pointgroup(sym_str); + /* sym_str is used below */ if ( config_simdetails ) { show_details(); @@ -427,7 +430,7 @@ int main(int argc, char *argv[]) /* Check that the intensities have the correct symmetry */ if ( check_list_symmetry(reflections, sym) ) { ERROR("The input reflection list does not appear to" - " have symmetry %s\n", sym); + " have symmetry %s\n", symmetry_name(sym)); return 1; } @@ -527,7 +530,7 @@ int main(int argc, char *argv[]) if ( config_gpu ) { if ( gctx == NULL ) { gctx = setup_gpu(config_nosfac, - intensities, flags, sym, + intensities, flags, sym_str, gpu_dev); } get_diffraction_gpu(gctx, &image, na, nb, nc, cell); @@ -604,7 +607,8 @@ skip: free(intensities); free(outfile); free(filename); - free(sym); + free(sym_str); + free_symoplist(sym); return 0; } |