Exemplos de HydrogenBondLifetimes em Python

Exemplo n.º 1

Arquivo: test_waterdynamics.py Projeto: zemanj/mdanalysis

def test_HydrogenBondLifetimes_deprecation(universe):
    with pytest.deprecated_call():
        hbl = waterdynamics.HydrogenBondLifetimes(universe, SELECTION1,
                                                  SELECTION1, 0, 5, 3)

Exemplo n.º 2

Arquivo: test_waterdynamics.py Projeto: zemanj/mdanalysis

def test_HydrogenBondLifetimes(universe):
    hbl = waterdynamics.HydrogenBondLifetimes(universe, SELECTION1, SELECTION1,
                                              0, 5, 3)
    hbl.run()
    assert_almost_equal(hbl.timeseries[2][1], 0.75, 5)