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))
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)