diff options
| -rw-r--r-- | src/process_hkl.c | 5 | ||||
| -rw-r--r-- | src/symmetry.c | 5 |
2 files changed, 8 insertions, 2 deletions
diff --git a/src/process_hkl.c b/src/process_hkl.c index 485e874a..10dd9f79 100644 --- a/src/process_hkl.c +++ b/src/process_hkl.c @@ -338,6 +338,10 @@ int main(int argc, char *argv[]) pdb = strdup("molecule.pdb"); } + if ( sym == NULL ) { + sym = strdup("1"); + } + model = new_list_intensity(); model_counts = new_list_count(); cell = load_cell_from_pdb(pdb); @@ -470,6 +474,7 @@ int main(int argc, char *argv[]) STATUS("%i had no f0 valid value.\n", n_nof0); delete_items(items); + free(sym); return 0; } diff --git a/src/symmetry.c b/src/symmetry.c index b06dfc14..3df45dc0 100644 --- a/src/symmetry.c +++ b/src/symmetry.c @@ -156,8 +156,8 @@ void get_equiv(signed int h, signed int k, signed int l, /* TODO: Add more groups here */ - /* Fallback for unrecognised groups */ - *he = h; *ke = k; *le = l; + ERROR("Unrecognised symmetry '%s'\n", sym); + abort(); } @@ -178,4 +178,5 @@ void get_asymm(signed int h, signed int k, signed int l, /* Should never reach here */ ERROR("No match found in %s for %i %i %i\n", sym, h, k, l); + abort(); } |