def test_molecule_graph_data(self):
    (num_nodes, num_node_features) = (4, 32)
    (num_edges, num_edge_features) = (6, 32)
    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, edge_index=edge_index, targets=targets, edge_features=edge_features, graph_features=graph_features)
    assert (mol_graph.num_nodes == num_nodes)
    assert (mol_graph.num_node_features == num_node_features)
    assert (mol_graph.num_edges == num_edges)
    assert (mol_graph.num_edge_features == num_edge_features)
    assert (mol_graph.targets.shape == (5,))
def test_molecule_graph_data(self):
    (num_nodes, num_node_features) = (4, 32)
    (num_edges, num_edge_features) = (6, 32)
    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, edge_index=edge_index, targets=targets, edge_features=edge_features, graph_features=graph_features)
    assert (mol_graph.num_nodes == num_nodes)
    assert (mol_graph.num_node_features == num_node_features)
    assert (mol_graph.num_edges == num_edges)
    assert (mol_graph.num_edge_features == num_edge_features)
    assert (mol_graph.targets.shape == (5,))