polymerist.rdutils.bonding.dissolution ====================================== .. py:module:: polymerist.rdutils.bonding.dissolution .. autoapi-nested-parse:: Tools for breaking bonds in RDKit Mols and assigning new Ports Attributes ---------- .. autoapisummary:: polymerist.rdutils.bonding.dissolution.LOGGER Functions --------- .. autoapisummary:: polymerist.rdutils.bonding.dissolution.decrease_bond_order polymerist.rdutils.bonding.dissolution.dissolve_bond Module Contents --------------- .. py:data:: LOGGER .. py:function:: decrease_bond_order(rwmol: rdkit.Chem.rdchem.RWMol, atom_id_1: int, atom_id_2: int, new_flavor_pair: Optional[tuple[int, int]] = None) -> None Lower the order of a bond between two atoms and insert two new ports in its place, raising Exception if no bond exists .. py:function:: dissolve_bond(rwmol: rdkit.Chem.rdchem.RWMol, atom_id_1: int, atom_id_2: int, new_flavor_pair: Optional[tuple[int, int]] = None) -> None Completely decompose a bond between two atoms, filling in ports with the chosen flavor