diff options
Diffstat (limited to 'src/indexamajig.c')
| -rw-r--r-- | src/indexamajig.c | 17 |
1 files changed, 13 insertions, 4 deletions
diff --git a/src/indexamajig.c b/src/indexamajig.c index f3cb05fc..7c227cb1 100644 --- a/src/indexamajig.c +++ b/src/indexamajig.c @@ -114,6 +114,7 @@ static struct image *get_simage(struct image *template, int alternate) panels[1].res = 13333.3; /* 75 microns/pixel */ image->det.panels = panels; + } else { /* Copy pointer to old geometry */ @@ -123,8 +124,9 @@ static struct image *get_simage(struct image *template, int alternate) image->lambda = ph_en_to_lambda(eV_to_J(1.8e3)); - image->molecule = template->molecule; - image->molecule->cell = template->indexed_cell; + image->molecule = copy_molecule(template->molecule); + free(image->molecule->cell); + image->molecule->cell = cell_new_from_cell(template->indexed_cell); return image; } @@ -241,8 +243,9 @@ int main(int argc, char *argv[]) if ( indm_str == NULL ) { STATUS("You didn't specify an indexing method, so I won't" - " try to index anything. If that isn't what you\n" - " wanted, re-run with --indexing=<method>.\n"); + " try to index anything.\n" + "If that isn't what you wanted, re-run with" + " --indexing=<method>.\n"); indm = INDEXING_NONE; } else if ( strcmp(indm_str, "none") == 0 ) { indm = INDEXING_NONE; @@ -252,6 +255,7 @@ int main(int argc, char *argv[]) ERROR("Unrecognised indexing method '%s'\n", indm_str); return 1; } + free(indm_str); image.molecule = load_molecule(); if ( image.molecule == NULL ) { @@ -342,8 +346,12 @@ int main(int argc, char *argv[]) /* Finished with alternate image */ if ( simage->twotheta != NULL ) free(simage->twotheta); if ( simage->data != NULL ) free(simage->data); + free_molecule(simage->molecule); free(simage); + /* Only free cell if found */ + free(image.indexed_cell); + done: free(image.data); free(image.det.panels); @@ -354,6 +362,7 @@ done: } while ( rval != NULL ); fclose(fh); + free_molecule(image.molecule); STATUS("There were %i images.\n", n_images); STATUS("%i hits were found.\n", n_hits); |