rxn.chemutils.multicomponent_smiles.canonicalize_multicomponent_smiles

rxn.chemutils.multicomponent_smiles.canonicalize_multicomponent_smiles(multicomponent_smiles, fragment_bond=None, check_valence=True)[source]

Canonicalize the molecules of a multi-component SMILES string.

Parameters
  • multicomponent_smiles (str) –

  • fragment_bond (Optional[str], default: None) –

  • check_valence (bool, default: True) –

Return type

str