Class: MolStandardizer

Methods

(static) standardize(structureFragment, options)

Standardize a structure fragment (molecule). Standardization may include canonicalization, aromatic perception and so on.

Parameters:

Name	Type	Description
structureFragment	Kekule.StructureFragment
options	Hash	Standardization options, including the following fields: { cleanStructure: bool, whether clean the structure before standardization. unmarshalSubFragments: bool, whether unmarshal all sub structures cascadedly of molecule, default is true. doCanonicalization: bool, whether do canonicalization to molecule, default is true. canonicalizerExecutorId: string, which canonicalizer executor should be used. If this value is not set, default one will be used instead. doAromaticPerception: bool, whether do aromatic ring perception to molecule, default is true. doStereoPerception: bool, whether detect and mark all stereo factors of nodes and connectors, default is true. }.

Source:

• algorithm/kekule.structures.standardizers.js, line 54