Fixing typo and adding chirality test

deepchem/feat/graph_features.py

@@ -400,7 +400,7 @@ def bond_features(bond, use_chirality=False):
   ]
   if use_chirality:
     bond_feats = bond_feats + one_of_k_encoding_unk(
-        str(bond.GetStereo()), GraphConvCoonstants.possible_bond_stereo)
+        str(bond.GetStereo()), GraphConvConstants.possible_bond_stereo)
   return np.array(bond_feats)
 
 

deepchem/feat/tests/test_weave.py

@@ -55,10 +55,8 @@ def test_weave_single_carbon():
   """Test that single carbon atom is featurized properly."""
   mols = ['C']
   featurizer = dc.feat.WeaveFeaturizer()
-  #from rdkit import Chem
   mol_list = featurizer.featurize(mols)
   mol = mol_list[0]
-  #mol = featurizer._featurize(Chem.MolFromSmiles("C"))
 
   # Only one carbon
   assert mol.get_num_atoms() == 1
@@ -70,6 +68,20 @@ def test_weave_single_carbon():
   assert mol.get_pair_features().shape == (1 * 1, 14)
 
 
+def test_chiral_weave():
+  """Test weave features on a molecule with chiral structure."""
+  mols = ["F\C=C\F"]
+  featurizer = dc.feat.WeaveFeaturizer(use_chirality=True)
+  mol_list = featurizer.featurize(mols)
+  mol = mol_list[0]
+
+  # Only 4 atoms
+  assert mol.get_num_atoms() == 4
+
+  # Test feature sizes for chirality
+  assert mol.get_num_features() == 78
+
+
 def test_weave_alkane():
   """Test on simple alkane"""
   mols = ['CCC']