1a7b25c16209916dc248ccc99cd1e2eedf8de103,deepchem/feat/tests/test_molecule_graph.py,TestMoleculeGraph,test_molecule_graph_data,#TestMoleculeGraph#,9

Before Change

    num_edges, num_edge_features = 13, 32
    graph_features = None
    node_features = np.ones((num_nodes, num_node_features))
    edge_index = np.ones((2, num_edges))
    edge_features = np.ones((num_edges, num_edge_features))
    targets = np.ones(5)

    mol_graph = MoleculeGraphData(

After Change

    node_features = np.random.random_sample((num_nodes, num_node_features))
    edge_features = np.random.random_sample((num_edges, num_edge_features))
    targets = np.random.random_sample(5)
    edge_index = np.array([
        [0, 1, 2, 2, 3, 4],
        [1, 2, 0, 3, 4, 0],
    ])
    graph_features = None

    mol_graph = MoleculeGraphData(
        node_features=node_features,

Instances