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