1a7b25c16209916dc248ccc99cd1e2eedf8de103,deepchem/feat/tests/test_molecule_graph.py,TestMoleculeGraph,test_invalid_molecule_graph_data,#TestMoleculeGraph#,31

Before Change

  def test_invalid_molecule_graph_data(self):
    with pytest.raises(ValueError):
      invalid_node_features = [[0, 1, 2, 3, 4], [5, 6, 7, 8]]
      edge_index = np.ones((2, 5))
      targets = np.ones(5)
      mol_graph = MoleculeGraphData(
          node_features=invalid_node_features,

After Change

      )

    with pytest.raises(TypeError):
      node_features = np.random.random_sample((5, 5))
      mol_graph = MoleculeGraphData(node_features=node_features)

  def test_batch_molecule_graph_data(self):
    num_nodes_list, num_edge_list = [3, 4, 5], [2, 4, 5]

Instances