Commit 29d2a374 authored by Thomas White's avatar Thomas White
Browse files

Trap invalid symmetries, and handle unspecified symmetry

parent bb52ba8c
......@@ -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;
}
......@@ -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();
}
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