"""
Bond
====
"""
__all__ = ('Bond', )
[docs]class Bond:
"""
A bond of a :class:`.Molecule`.
Parameters
----------
atom1_id : :class:`int`
The id of the first atom of the bond.
atom1_id : :class:`int`
The id of the second atom of the bond.
order : :class:`int`
The order of the bond.
"""
def __init__(self, atom1_id, atom2_id, order):
self._atom1_id = atom1_id
self._atom2_id = atom2_id
self._order = order
[docs] def get_atom1_id(self):
"""
Return the id of the first atom of the bond.
Returns
-------
:class:`int`
The id of the first atom of the bond.
"""
return self._atom1_id
[docs] def get_atom2_id(self):
"""
Return the id of the second atom of the bond.
Returns
-------
:class:`int`
The id of the second atom of the bond.
"""
return self._atom2_id
[docs] def get_atom_ids(self):
"""
Yield the ids of the atoms of the bond.
Yields
------
:class:`int`
An atom id.
"""
yield self._atom1_id
yield self._atom2_id
[docs] def get_order(self):
"""
Return the bond order.
Returns
-------
:class:`int`
The bond order.
"""
return self._order
def __repr__(self):
return (
f'{self.__class__.__name__}('
f'{self._atom1_id}, {self._atom2_id}, '
f'{self._order}'
')'
)
def __str__(self):
return repr(self)