rxn.chemutils.extended_reaction_smiles.parse_extended_reaction_smiles

rxn.chemutils.extended_reaction_smiles.parse_extended_reaction_smiles(extended_reaction_smiles, remove_atom_maps=True)[source]

Convert an extended reaction SMILES (with potential fragment information) to a ReactionEquation instance.

Parameters
  • extended_reaction_smiles (str) – extended reaction SMILES

  • remove_atom_maps (bool, default: True) – whether to remove the atom mapping information.

Return type

ReactionEquation

Returns

ReactionEquation instance