RDKit::MolStandardize::TautomerTransform Class Reference

#include <TautomerCatalogUtils.h>

Public Member Functions
	TautomerTransform (ROMol *mol, std::vector< Bond::BondType > bondtypes, std::vector< int > charges)
	TautomerTransform (const TautomerTransform &other)
TautomerTransform &	operator= (const TautomerTransform &other)
	~TautomerTransform ()

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

Detailed Description

Definition at line 36 of file TautomerCatalogUtils.h.

Constructor & Destructor Documentation

TautomerTransform() [1/2]

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

inline

Definition at line 42 of file TautomerCatalogUtils.h.

TautomerTransform() [2/2]

RDKit::MolStandardize::TautomerTransform::TautomerTransform ( const TautomerTransform &  other )

inline

Definition at line 48 of file TautomerCatalogUtils.h.

References Mol.

~TautomerTransform()

RDKit::MolStandardize::TautomerTransform::~TautomerTransform ( )

inline

Definition at line 63 of file TautomerCatalogUtils.h.

Member Function Documentation

operator=()

TautomerTransform & RDKit::MolStandardize::TautomerTransform::operator= ( const TautomerTransform &  other )

inline

Definition at line 53 of file TautomerCatalogUtils.h.

References BondTypes, Charges, and Mol.

Member Data Documentation

BondTypes

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

Definition at line 39 of file TautomerCatalogUtils.h.

Referenced by operator=().

Charges

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

Definition at line 40 of file TautomerCatalogUtils.h.

Referenced by operator=().

Mol

ROMol* RDKit::MolStandardize::TautomerTransform::Mol = nullptr

Definition at line 38 of file TautomerCatalogUtils.h.

Referenced by operator=(), and TautomerTransform().

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

• TautomerCatalogUtils.h