Exemplo n.º 1
0
 def z_positions(self, universe):
     height_indices = " ".join(universe.atoms[2::4].indices.astype(
         str))  # one atom per cholesterol
     z_positions = ZPositions(universe,
                              height_sel=f"index {height_indices}",
                              **self.kwargs)
     z_positions.run()
     return z_positions
Exemplo n.º 2
0
 def test_Exceptions(self, universe):
         
     match = "height_sel contains atoms that are not present in molecules selected "
     with pytest.raises(ValueError, match=match):
         ZPositions(
             universe=universe,
             lipid_sel="name L",
             height_sel="name C"
         )
Exemplo n.º 3
0
 def z_positions(self, universe):
     z_positions = ZPositions(universe, **self.kwargs)
     z_positions.run()
     return z_positions