old_contents: """
  Test topological fingerprints.
  """
  import unittest
  
  from rdkit import Chem
  
  from pande_gas.features import fingerprints as fp
  
  
  class TestCircularFingerprint(unittest.TestCase):
      """
      Tests for CircularFingerprint.
      """
      def setUp(self):
          """
          Set up tests.
          """
          smiles = 'CC(=O)OC1=CC=CC=C1C(=O)O'
          self.mol = Chem.MolFromSmiles(smiles)
          self.engine = fp.CircularFingerprint()
  
      def test_circular_fingerprints(self):
          """
          Test CircularFingerprint.
          """
          rval = self.engine([self.mol])
          assert rval.shape == (1, self.engine.size)
  
      def test_sparse_circular_fingerprints(self):
          """
          Test CircularFingerprint with sparse encoding.
          """
          self.engine = fp.CircularFingerprint(sparse=True)
          rval = self.engine([self.mol])
          assert rval.shape == (1,)
          assert isinstance(rval[0], dict)
          assert len(rval[0])
  
new_contents: """
  Test topological fingerprints.
  """
  import unittest
  
  from rdkit import Chem
  
  from pande_gas.features import fingerprints as fp
  
  
  class TestCircularFingerprint(unittest.TestCase):
      """
      Tests for CircularFingerprint.
      """
      def setUp(self):
          """
          Set up tests.
          """
          smiles = 'CC(=O)OC1=CC=CC=C1C(=O)O'
          self.mol = Chem.MolFromSmiles(smiles)
          self.engine = fp.CircularFingerprint()
  
      def test_circular_fingerprints(self):
          """
          Test CircularFingerprint.
          """
          rval = self.engine([self.mol])
          assert rval.shape == (1, self.engine.size)
  
      def test_sparse_circular_fingerprints(self):
          """
          Test CircularFingerprint with sparse encoding.
          """
          self.engine = fp.CircularFingerprint(sparse=True)
          rval = self.engine([self.mol])
          assert rval.shape == (1,)
          assert isinstance(rval[0], dict)
          assert len(rval[0])
  
      def test_sparse_circular_fingerprints_with_smiles(self):
          """
          Test CircularFingerprint with sparse encoding and SMILES for each
          fragment.
          """
          self.engine = fp.CircularFingerprint(sparse=True, smiles=True)
          rval = self.engine([self.mol])
          assert rval.shape == (1,)
          assert isinstance(rval[0], dict)
          assert len(rval[0])
  
          # check for separate count and SMILES entries for each fragment
          for fragment_id, value in rval[0].items():
              assert 'count' in value
              assert 'smiles' in value
  
subject: Add test for fragment SMILES