polymerist.rdutils.bonding

Tools for joining together and splitting RDKit molecules

Submodules

Exceptions

BondOrderModificationError

Raised when an invalid RDKit bond modification is attempted

Functions

combined_rdmol(→ Union[rdkit.Chem.rdchem.Mol, ...)

Merge any number of RDKit Mols into a single molecule with contiguous, non-overlapping atom map numbers

Package Contents

polymerist.rdutils.bonding.combined_rdmol(*rdmols: Iterable[rdkit.Chem.rdchem.Mol], assign_map_nums: bool = True, editable: bool = True) → rdkit.Chem.rdchem.Mol | rdkit.Chem.rdchem.RWMol[source]

Merge any number of RDKit Mols into a single molecule with contiguous, non-overlapping atom map numbers

exception polymerist.rdutils.bonding.BondOrderModificationError[source]

Bases: Exception

Raised when an invalid RDKit bond modification is attempted