diff --git a/tests/test_COM_utils.py b/tests/test_COM_utils.py index 232a4529..e056daa1 100644 --- a/tests/test_COM_utils.py +++ b/tests/test_COM_utils.py @@ -222,10 +222,10 @@ def test_COM_dist_wo_unwrapping_wo_subtract_wo_periodic(self): COM2 = np.array([0 + 0, 0 + 5, 0 + 0]) / 2 / 10 # [0. 0.25 0. ] D12 = np.linalg.norm(COM1 - COM2) - np.testing.assert_array_equal(D12, - geom2COMdist(self.geom, [[0, 1]], - subtract_max_radii=False, low_mem=True, periodic=False, - per_residue_unwrap=False)) + np.testing.assert_almost_equal(D12, + geom2COMdist(self.geom, [[0, 1]], + subtract_max_radii=False, low_mem=True, periodic=False, + per_residue_unwrap=False).squeeze()) def test_COM_dist_wo_unwrapping_wo_subtract_w_periodic(self): # PBCs @@ -278,4 +278,4 @@ def test_COM_dist_w_unwrapping_w_subtract_low_and_hi_mem(self): per_residue_unwrap=True)) if __name__ == '__main__': - unittest.main() \ No newline at end of file + unittest.main()