"""
Iodo
====
"""
from .generic_functional_group import GenericFunctionalGroup
[docs]
class Iodo(GenericFunctionalGroup):
"""
Represents an iodo functional group.
The structure of the functional group is given by the pseudo-SMILES
``[iodine][atom]``.
"""
def __init__(self, iodine, atom, bonders, deleters, placers=None):
"""
Initialize a :class:`.Iodo` instance.
Parameters
----------
iodine : :class:`.I`
The ``[iodine]`` 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._iodine = iodine
self._atom = atom
super().__init__(
atoms=(iodine, atom),
bonders=bonders,
deleters=deleters,
placers=bonders if placers is None else placers,
)
[docs]
def get_iodine(self):
"""
Get the ``[iodine]`` atom.
Returns
-------
:class:`.I`
The ``[iodine]`` atom.
"""
return self._iodine
[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._iodine = self._iodine
clone._atom = self._atom
return clone
[docs]
def with_atoms(self, atom_map):
clone = super().with_atoms(atom_map)
clone._iodine = atom_map.get(
self._iodine.get_id(),
self._iodine,
)
clone._atom = atom_map.get(
self._atom.get_id(),
self._atom,
)
return clone
def __repr__(self):
return (
f"{self.__class__.__name__}("
f"{self._iodine}, {self._atom}, "
f"bonders={self._bonders}, deleters={self._deleters})"
)