03b787d330e04d5edc84d250ab1dfc8701568c5e,deepchem/feat/tests/test_contact_fingerprints.py,TestContactFeaturizers,test_contact_fingerprint_shape,#TestContactFeaturizers#,17

Before Change

  def test_contact_fingerprint_shape(self):
    size = 8
    featurizer = dc.feat.ContactCircularFingerprint(size=size)
    features, failures = featurizer.featurize_complexes(self.complex_files)
    assert features.shape == (1, 2 * size)

  def test_contact_voxels_shape(self):
    box_width = 48

After Change

    self.ligand_file = os.path.join(current_dir, "3ws9_ligand.sdf")
    self.complex_files = [(self.protein_file, self.ligand_file)]

  def test_contact_fingerprint_shape(self):
    size = 8
    featurizer = dc.feat.ContactCircularFingerprint(size=size)
    features, failures = featurizer.featurize([self.ligand_file],
                                              [self.protein_file])
    assert features.shape == (1, 2 * size)

  def test_contact_voxels_shape(self):
    box_width = 48

Instances