Fixed #115

CAT/multi_ligand.py

@@ -1,5 +1,6 @@
 """A module for attaching multiple non-unique ligands to a single quantum dot."""
 
+import os
 from typing import (Iterable, Any, overload, Sequence, MutableSequence,
                     Collection, List, Union)
 
@@ -65,6 +66,12 @@ def multi_lig(qd_series, ligands, dummy=None, f=None, **kwargs):  # noqa: E302
                             opt=kwargs['opt'],
                             split=kwargs['split'])
 
+    mol_format = kwargs.get('mol_format')
+    _path = kwargs.get('path')
+    if mol_format is not _path is not None:
+        path = os.path.join(str(_path).rsplit(os.sep, 1)[0], 'ligand')
+        mol_to_file(ligands, path, mol_format=mol_format)
+
     if f is not None:
         raise NotImplementedError("'f != None' is not yet implemented")