예제 #1
0
def test_WaterOrientationalRelaxation_zeroMolecules(universe):
    wor_zero = waterdynamics.WaterOrientationalRelaxation(
        universe, SELECTION2, 0, 5, 2)
    wor_zero.run()
    assert_almost_equal(wor_zero.timeseries[1], (0.0, 0.0, 0.0))
예제 #2
0
def test_WaterOrientationalRelaxation(universe):
    wor = waterdynamics.WaterOrientationalRelaxation(universe, SELECTION1, 0,
                                                     5, 2)
    wor.run()
    assert_almost_equal(wor.timeseries[1][2], 0.35887, decimal=5)