old_contents: import numpy as np
  import unittest
  
  from deepchem.feat import MordredDescriptors
  
  
  class TestMordredDescriptors(unittest.TestCase):
    """
    Test MordredDescriptors.
    """
  
    def setUp(self):
      """
      Set up tests.
      """
      from rdkit import Chem
      smiles = 'CC(=O)OC1=CC=CC=C1C(=O)O'
      self.mol = Chem.MolFromSmiles(smiles)
  
    def test_mordred_descriptors(self):
      """
      Test simple descriptors.
      """
      featurizer = MordredDescriptors()
      descriptors = featurizer([self.mol])
      assert descriptors.shape == (1, 1613)
      assert np.allclose(descriptors[0][0:3],
                         np.array([9.54906713, 9.03919229, 1.0]))
  
    def test_mordred_descriptors_with_3D_info(self):
      """
      Test simple descriptors with 3D info
      """
      from rdkit import Chem
      from rdkit.Chem import AllChem
      featurizer = MordredDescriptors(ignore_3D=False)
      descriptors = featurizer([self.mol])
      assert descriptors.shape == (1, 1826)
      assert np.allclose(descriptors[0][780:784], np.array([0.0, 0.0, 0.0, 0.0]))
  
      # calculate coordinates
      mol = self.mol
      mol_with_conf = Chem.AddHs(mol)
      AllChem.EmbedMolecule(mol_with_conf, AllChem.ETKDG())
      descriptors = featurizer([mol_with_conf])
      assert descriptors.shape == (1, 1826)
      assert np.allclose(
          descriptors[0][780:784],
          np.array([156.22387956, -247.38470635, -34.95129054, -11.78022411]))
  
new_contents: import numpy as np
  import unittest
  
  from deepchem.feat import MordredDescriptors
  
  
  class TestMordredDescriptors(unittest.TestCase):
    """
    Test MordredDescriptors.
    """
  
    def setUp(self):
      """
      Set up tests.
      """
      from rdkit import Chem
      smiles = 'CC(=O)OC1=CC=CC=C1C(=O)O'
      self.mol = Chem.MolFromSmiles(smiles)
  
    def test_mordred_descriptors(self):
      """
      Test simple descriptors.
      """
      featurizer = MordredDescriptors()
      descriptors = featurizer([self.mol])
      assert descriptors.shape == (1, 1613)
      assert np.allclose(descriptors[0][0:3],
                         np.array([9.54906713, 9.03919229, 1.0]))
  
    def test_mordred_descriptors_with_3D_info(self):
      """
      Test simple descriptors with 3D info
      """
      from rdkit import Chem
      from rdkit.Chem import AllChem
      featurizer = MordredDescriptors(ignore_3D=False)
      descriptors = featurizer([self.mol])
      assert descriptors.shape == (1, 1826)
      assert np.allclose(descriptors[0][780:784], np.array([0.0, 0.0, 0.0, 0.0]))
  
      # calculate coordinates
      mol = self.mol
      mol_with_conf = Chem.AddHs(mol)
      AllChem.EmbedMolecule(mol_with_conf, AllChem.ETKDG())
      descriptors = featurizer([mol_with_conf])
      assert descriptors.shape == (1, 1826)
      # not zero values
      assert not np.allclose(descriptors[0][780:784], np.array([0.0, 0.0, 0.0, 0.0]))
  
subject: fix test error