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)))
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))