selection.py 文件源码

def __init__(self, mol):
        super().__init__(mol)

        self._atomset = collections.OrderedDict()

        self.atom_listname = ipy.Label('Selected atoms:', layout=ipy.Layout(width='100%'))
        self.atom_list = ipy.SelectMultiple(options=list(self.viewer.selected_atom_indices),
                                            layout=ipy.Layout(height='150px'))
        traitlets.directional_link(
            (self.viewer, 'selected_atom_indices'),
            (self.atom_list, 'options'),
            self._atom_indices_to_atoms
        )

        self.select_all_atoms_button = ipy.Button(description='Select all atoms')
        self.select_all_atoms_button.on_click(self.select_all_atoms)

        self.select_none = ipy.Button(description='Clear all selections')
        self.select_none.on_click(self.clear_selections)

        self.representation_buttons = ipy.ToggleButtons(options=['stick','ribbon', 'auto', 'vdw'],
                                                        value='auto')
        self.representation_buttons.observe(self._change_representation, 'value')