map_indexed_smiles

openff.nagl.toolkits.openff.map_indexed_smiles(reference_smiles: str, target_smiles: str) → Dict[int, int][source]

Map the indices of the target SMILES to the indices of the reference SMILES.

Parameters:

  • reference_smiles – The reference SMILES string, mapped with atom indices.

  • target_smiles – The target SMILES string, mapped with atom indices.

Returns:

atom_map – A dictionary in the form of {reference_atom_index: target_atom_index}