"""
Bromo
=====
"""
from .generic_functional_group import GenericFunctionalGroup
[docs]class Bromo(GenericFunctionalGroup):
"""
Represents a bromo functional group.
The structure of the functional group is given by the pseudo-SMILES
``[bromine][atom]``.
"""
[docs] def __init__(self, bromine, atom, bonders, deleters, placers=None):
"""
Initialize a :class:`.Bromo` instance.
Parameters
----------
bromine : :class:`.Br`
The ``[bromine]`` atom.
atom : :class:`.Atom`
The ``[atom]`` atom.
bonders : :class:`tuple` of :class:`.Atom`
The bonder atoms.
deleters : :class:`tuple` of :class:`.Atom`
The deleter atoms.
placers : :class:`tuple` of :class:`.Atom`, optional
The placer atoms. If ``None`` the `bonders` will be used.
"""
self._bromine = bromine
self._atom = atom
super().__init__(
atoms=(bromine, atom),
bonders=bonders,
deleters=deleters,
placers=bonders if placers is None else placers,
)
[docs] def get_bromine(self):
"""
Get the ``[bromine]`` atom.
Returns
-------
:class:`.Br`
The ``[bromine]`` atom.
"""
return self._bromine
[docs] def get_atom(self):
"""
Get the ``[atom]`` atom.
Returns
-------
:class:`.Atom`
The ``[atom]`` atom.
"""
return self._atom
[docs] def clone(self):
clone = super().clone()
clone._bromine = self._bromine
clone._atom = self._atom
return clone
[docs] def with_atoms(self, atom_map):
clone = super().with_atoms(atom_map)
clone._bromine = atom_map.get(
self._bromine.get_id(),
self._bromine,
)
clone._atom = atom_map.get(
self._atom.get_id(),
self._atom,
)
return clone
def __repr__(self):
return (
f'{self.__class__.__name__}('
f'{self._bromine}, {self._atom}, '
f'bonders={self._bonders}, deleters={self._deleters})'
)