예제 #1
0
def test_MeanSquareDisplacement_zeroMolecules(universe):
    msd_zero = waterdynamics.MeanSquareDisplacement(universe, SELECTION2, 0,
                                                    10, 2)
    msd_zero.run()
    assert_almost_equal(msd_zero.timeseries[1], 0.0)
예제 #2
0
def test_MeanSquareDisplacement(universe):
    msd = waterdynamics.MeanSquareDisplacement(universe, SELECTION1, 0, 10, 2)
    msd.run()
    assert_almost_equal(msd.timeseries[1], 0.03984, decimal=5)