Python WaterOrientationalRelaxation Examples

Programming Language: Python

Namespace/Package Name: MDAnalysis.analysis.waterdynamics

Method/Function: WaterOrientationalRelaxation

Examples at hotexamples.com: 2

Python WaterOrientationalRelaxation - 2 examples found. These are the top rated real world Python examples of MDAnalysis.analysis.waterdynamics.WaterOrientationalRelaxation extracted from open source projects. You can rate examples to help us improve the quality of examples.

Example #1

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File: test_waterdynamics.py Project: zemanj/mdanalysis

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))

Example #2

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File: test_waterdynamics.py Project: zemanj/mdanalysis

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)