added docstring

openforcefield · Feb 8, 2019 · a01dfb3 · a01dfb3
1 parent bf3e0b2
commit a01dfb3
Showing 1 changed file with 7 additions and 3 deletions.
diff --git a/cmiles/_cmiles_oe.py b/cmiles/_cmiles_oe.py
@@ -236,12 +236,16 @@ def get_map_ordered_geometry(molecule, atom_map):
 
     Parameters
     ----------
-    molecule
-    atom_map
+    molecule: OEMol with 1 conformer or OEConf
+    atom_map: dict
+        map_idx:atom_idx
 
     Returns
     -------
-
+    symbols: list of str
+        list of symbols
+    geometry: list of ints
+        xyz geometry. List is length N*3
     """
 
     if not molecule.GetDimension() == 3: