rxn.chemutils.rdf.reaction_properties

Functions

find_compounds(property_dict)

Iterate through a property dictionary to find compound dicts.

find_compounds_with_category(property_dict)

Iterate through a property dictionary to find compound dicts, with the associated category ("SOLVENT", "CATALYST", etc.).

Classes

Compound(mol_structure, symbol, mol_caption, ...)

Wrapper for the compound dicts, which always contain a MOLSTRUCTURE, usually a SYMBOL, and sometimes a MOL_CAPTION.

ReactionProperties(meta)

Class compiling the reaction properties given for an RDF reaction.