예제 #1
0
    def test_distance_matrix_calculated_correctly2(self):
        from e3fp.fingerprint.array_ops import make_distance_matrix

        coords = np.array([[0, 0, 0], [-1, -1, -1]], dtype=np.float)
        dist_mat = make_distance_matrix(coords)
        np.testing.assert_almost_equal(dist_mat, (3**0.5) *
                                       (1 - np.eye(2, dtype=np.float)))
예제 #2
0
    def test_distance_matrix_calculated_correctly1(self):
        from e3fp.fingerprint.array_ops import make_distance_matrix

        coords = np.zeros((2, 3), dtype=np.float)
        dist_mat = make_distance_matrix(coords)
        np.testing.assert_almost_equal(dist_mat,
                                       np.zeros((2, 2), dtype=np.float))