rxn.chemutils.reaction_smiles

Functionality to handle different kinds of reaction SMILES with the same functions.

In a separate file than miscellaneous.py or conversion.py in order to avoid cyclic dependencies.

Functions

determine_format(reaction_smiles)	Determine the format of a reaction SMILES.
parse_any_reaction_smiles(smiles)	Parse a reaction SMILES in any format (will be determined automatically).
parse_reaction_smiles(smiles, reaction_format)	Parse the reaction SMILES in a given format.
to_reaction_smiles(reaction_equation, ...)	Convert a reaction equation into a reaction SMILES of the specified format.

Classes

ReactionFormat(value[, names, module, ...])

Existing reaction SMILES formats.