diff options
Diffstat (limited to 'src/pattern_sim.c')
| -rw-r--r-- | src/pattern_sim.c | 26 |
1 files changed, 13 insertions, 13 deletions
diff --git a/src/pattern_sim.c b/src/pattern_sim.c index 7098869d..b6414aa1 100644 --- a/src/pattern_sim.c +++ b/src/pattern_sim.c @@ -481,7 +481,7 @@ int main(int argc, char *argv[]) int config_gpu = 0; int config_random = 0; char *powder_fn = NULL; - char *filename = NULL; + char *cell_filename = NULL; char *grad_str = NULL; char *outfile = NULL; char *geometry = NULL; @@ -599,7 +599,7 @@ int main(int argc, char *argv[]) break; case 'p' : - filename = strdup(optarg); + cell_filename = strdup(optarg); break; case 'o' : @@ -761,8 +761,8 @@ int main(int argc, char *argv[]) return 1; } - if ( filename == NULL ) { - filename = strdup("molecule.pdb"); + if ( cell_filename == NULL ) { + cell_filename = strdup("molecule.pdb"); } if ( outfile == NULL ) { @@ -844,7 +844,7 @@ int main(int argc, char *argv[]) free(spectrum_str); /* Load unit cell */ - input_cell = load_cell_from_file(filename); + input_cell = load_cell_from_file(cell_filename); if ( input_cell == NULL ) { exit(1); } @@ -988,7 +988,7 @@ int main(int argc, char *argv[]) do { int na, nb, nc; - double a, b, c, d; + double a, b, c, dis; UnitCell *cell; int err = 0; int pi; @@ -1094,7 +1094,7 @@ int main(int argc, char *argv[]) } - cell_get_parameters(cell, &a, &b, &c, &d, &d, &d); + cell_get_parameters(cell, &a, &b, &c, &dis, &dis, &dis); 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); @@ -1148,22 +1148,22 @@ int main(int argc, char *argv[]) if ( !config_noimages ) { - char filename[1024]; + char h5filename[1024]; if ( n_images != 1 ) { - snprintf(filename, 1023, "%s-%i.h5", + snprintf(h5filename, 1023, "%s-%i.h5", outfile, number); } else { - strncpy(filename, outfile, 1023); + strncpy(h5filename, outfile, 1023); } number++; /* Write the output file */ - image_write(image, dtempl, filename); + image_write(image, dtempl, h5filename); /* Add some pattern_sim-specific metadata */ - add_metadata(filename, orientation, cell); + add_metadata(h5filename, orientation, cell); } @@ -1190,7 +1190,7 @@ skip: cell_free(input_cell); free(intensities); free(outfile); - free(filename); + free(cell_filename); free(sym_str); free_symoplist(sym); |