Trap invalid symmetries, and handle unspecified symmetry

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;
 }

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();
 }