RDKit::MolStandardize::TautomerTransform Struct Reference

#include <TautomerCatalogUtils.h>

Public Member Functions
	TautomerTransform (ROMol *mol, std::vector< Bond::BondType > bondtypes, std::vector< int > charges)

Public Attributes
ROMol *	Mol
std::vector< Bond::BondType >	BondTypes
std::vector< int >	Charges

Detailed Description

Definition at line 35 of file TautomerCatalogUtils.h.

Constructor & Destructor Documentation

TautomerTransform()

RDKit::MolStandardize::TautomerTransform::TautomerTransform ( ROMol *  mol, std::vector< Bond::BondType >  bondtypes, std::vector< int >  charges  )

inline

Definition at line 39 of file TautomerCatalogUtils.h.

References RDKIT_MOLSTANDARDIZE_EXPORT, RDKit::MolStandardize::readTautomers(), RDKit::MolStandardize::stringToBondType(), and RDKit::MolStandardize::stringToCharge().

Member Data Documentation

BondTypes

std::vector<Bond::BondType> RDKit::MolStandardize::TautomerTransform::BondTypes

Definition at line 37 of file TautomerCatalogUtils.h.

Charges

std::vector<int> RDKit::MolStandardize::TautomerTransform::Charges

Definition at line 38 of file TautomerCatalogUtils.h.

Mol

ROMol* RDKit::MolStandardize::TautomerTransform::Mol

Definition at line 36 of file TautomerCatalogUtils.h.

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The documentation for this struct was generated from the following file:

• TautomerCatalogUtils.h