def test_ZThickness(self, universe):
z_thickness = ZThickness(universe, **self.kwargs)
z_thickness.run()
reference = {
'n_residues': 50,
'n_frames': 1,
'z_thickness': np.full(
(50, 1),
fill_value=20) # all lipids have a thickness of 20 Angstrom
}
assert z_thickness.z_thickness.shape == (reference['n_residues'],
reference['n_frames'])
assert_array_equal(z_thickness.z_thickness, reference['z_thickness'])
def test_ZThickness_average_different_tails(self, sn1_thickness,
sn2_thickness):
thickness = ZThickness.average(sn1_thickness, sn2_thickness)
reference = {
'n_residues': 50,
'n_frames': 1,
'z_thickness': np.full((50, 1), fill_value=20)
}
assert thickness.z_thickness.shape == (reference['n_residues'],
reference['n_frames'])
assert_array_almost_equal(thickness.z_thickness,
reference['z_thickness'])
def test_ZThickness_average(self, sn1_thickness):
thickness = ZThickness.average(sn1_thickness, sn1_thickness)
reference = {
'n_residues': 25,
'n_frames': 1,
'z_thickness': np.full((25, 1), fill_value=20)
}
assert isinstance(thickness, ZThickness)
assert thickness.z_thickness.shape == (reference['n_residues'],
reference['n_frames'])
assert_array_almost_equal(thickness.z_thickness,
reference['z_thickness'])
def sn2_thickness(self, universe):
sn2_thickness = ZThickness(universe, "name C")
sn2_thickness.run()
return sn2_thickness
def test_Exceptions(self, universe, sn1_thickness):
match = "sn1_thickness and sn2_thickness must have been run with the same frames"
with pytest.raises(ValueError, match=match):
sn2_thickness = ZThickness(
universe=universe,
**self.kwargs,
)
sn2_thickness.run(stop=0)
ZThickness.average(sn1_thickness, sn2_thickness)
with pytest.raises(ValueError, match=match):
sn2_thickness = ZThickness(
universe=universe,
**self.kwargs,
)
sn2_thickness.run(stop=1)
sn2_thickness.frames = np.array([10])
ZThickness.average(sn1_thickness, sn2_thickness)
def sn1_thickness(self, universe):
sn1_thickness = ZThickness(universe, **self.kwargs)
sn1_thickness.run()
return sn1_thickness