graph matrix unit test

import unittest

import numpy as np

from deepchem.feat.molecule_featurizers.molgan_featurizer import GraphMatrix

class TestGraphMatrix(unittest.TestCase):

    def test_graph_matrix():

        max_atom_count = 5

        atom_array = [7, 7, 7, 8, 8, 8, 9, 6]

        A = np.zeros(shape=(max_atom_count, max_atom_count), dtype=np.float32)

        X = np.array(atom_array, dtype=np.int32)

        graph_matrix = GraphMatrix(adjacency_matrix=A, node_features=X)

        assert isinstance(graph_matrix.adjacency_matrix, np.ndarray)

        assert isinstance(graph_matrix.node_features, np.ndarray)

        assert isinstance(graph_matrix.adjacency_matrix.dtype, np.float32)

        assert isinstance(graph_matrix.node_features.dtype, np.float32)

        assert graph_matrix.adjacency_matrix.shape == A.shape

        assert graph_matrix.node_features.shape == X.shape