rxn.chemutils.miscellaneous.get_individual_compounds

rxn.chemutils.miscellaneous.get_individual_compounds(any_smiles)

Get the individual compound SMILES strings starting from any SMILES string (multicomponent SMILES, reaction SMILES).

Single-component SMILES with dots are interpreted as multicomponent SMILES strings.

Parameters

any_smiles (str) – any kind of SMILES string.

Raises

Exception – different kinds of exception may be raised during parsing.

Return type

List[str]

Returns

List of individual compound SMILES.