"""
Bromo
=====
"""
from __future__ import annotations
import typing
from ...atoms import Atom, Br
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: Br,
atom: Atom,
bonders: tuple[Atom, ...],
deleters: tuple[Atom, ...],
placers: typing.Optional[tuple[Atom, ...]] = None,
) -> None:
"""
Initialize a :class:`.Bromo` instance.
Parameters:
bromine:
The ``[bromine]`` atom.
atom:
The ``[atom]`` atom.
bonders:
The bonder atoms.
deleters:
The deleter atoms.
placers:
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) -> Br:
"""
Get the ``[bromine]`` atom.
Returns:
The ``[bromine]`` atom.
"""
return self._bromine
[docs] def get_atom(self) -> Atom:
"""
Get the ``[atom]`` atom.
Returns:
The ``[atom]`` atom.
"""
return self._atom
[docs] def clone(self) -> Bromo:
clone = super()._clone()
clone._bromine = self._bromine
clone._atom = self._atom
return clone
def _with_ids(
self,
id_map: dict[int, int],
) -> Bromo:
super()._with_ids(id_map)
if (bromine_id := self._bromine.get_id()) in id_map:
self._bromine = self._bromine.with_id(id_map[bromine_id])
if (atom_id := self._atom.get_id()) in id_map:
self._atom = self._atom.with_id(id_map[atom_id])
return self
[docs] def with_ids(
self,
id_map: dict[int, int],
) -> Bromo:
return self.clone()._with_ids(id_map)
def __repr__(self) -> str:
return (
f'{self.__class__.__name__}('
f'{self._bromine}, {self._atom}, '
f'bonders={self._bonders}, deleters={self._deleters})'
)