RDKit
Open-source cheminformatics and machine learning.
MolStandardize Directory Reference

Directories

directory  AcidBaseCatalog
 
directory  FragmentCatalog
 
directory  TautomerCatalog
 
directory  TransformCatalog
 

Files

file  Charge.h [code]
 Defines the Reionizer class and Uncharger class.
 
file  Fragment.h [code]
 
file  Metal.h [code]
 Defines the MetalDisconnector class.
 
file  MolStandardize.h [code]
 Defines the CleanupParameters and some convenience functions.
 
file  Normalize.h [code]
 Defines the Normalizer class.
 
file  MolStandardize/Tautomer.h [code]
 
file  Validate.h [code]
 Defines the ValidationErrorInfo class and four different validation methods: RDKitValidation, MolVSValidation, AllowedAtomsValidation, DisallowedAtomsValidation.