rxn.chemutils.extended_reaction_smiles

Functions

determine_fragment_groups(extended_reaction_info)	From the fragment info string (such as |f:0.2,5.6|), determine the groups of indices that must be grouped.
merge_molecules_from_fragment_groups(...)	Combine molecules according to the fragment definition.
parse_extended_reaction_smiles(...[, ...])	Convert an extended reaction SMILES (with potential fragment information) to a ReactionEquation instance.
to_extended_reaction_smiles(reaction)	Convert a ReactionEquation instance to an extended reaction SMILES (with potential fragment information).

Exceptions

UnsupportedExtendedReactionSmiles(...)

param reaction_smiles