polymerist.rdutils.bonding.permutation
======================================

.. py:module:: polymerist.rdutils.bonding.permutation

.. autoapi-nested-parse::

   Tool for swapping bonds within and between RDKit Mols



Attributes
----------

.. autoapisummary::

   polymerist.rdutils.bonding.permutation.LOGGER


Functions
---------

.. autoapisummary::

   polymerist.rdutils.bonding.permutation.swap_bonds


Module Contents
---------------

.. py:data:: LOGGER

.. py:function:: swap_bonds(rwmol: rdkit.Chem.rdchem.RWMol, bond_derangement: dict[int, tuple[int, int]], show_steps: bool = False, bond_breakage_marker: str = '--x->', bond_formation_marker: str = '---->') -> Optional[rdkit.Chem.rdchem.RWMol]

   Takes a modifiable Mol and a bond derangement dict and performs the requested bond swaps
   Derangement dict should have th following form:
       keys   : int             = corresponds to the beginning atom of a bond
       values : tuple[int, int] = corresponds to the current end atom map number and target end atom map number (in that order)
   Modifiable Mol can contain multiple disconnected molecular components