TautomerCatalogUtils.h File Reference

#include <RDGeneral/export.h>
#include <GraphMol/RDKitBase.h>
#include "TautomerCatalogParams.h"
#include <GraphMol/Substruct/SubstructMatch.h>
#include <GraphMol/ChemReactions/Reaction.h>
#include <GraphMol/Bond.h>
#include <utility>

Go to the source code of this file.

Namespaces
namespace	RDKit
	Std stuff.
namespace	RDKit::MolStandardize

Functions
RDKIT_MOLSTANDARDIZE_EXPORT std::vector< Bond::BondType >	RDKit::MolStandardize::stringToBondType (std::string bond_str)
RDKIT_MOLSTANDARDIZE_EXPORT std::vector< int >	RDKit::MolStandardize::stringToCharge (std::string charge_str)
RDKIT_MOLSTANDARDIZE_EXPORT std::vector< TautomerTransform >	RDKit::MolStandardize::readTautomers (std::string fileName)
RDKIT_MOLSTANDARDIZE_EXPORT std::vector< TautomerTransform >	RDKit::MolStandardize::readTautomers (std::istream &inStream, int nToRead=-1)
RDKIT_MOLSTANDARDIZE_EXPORT std::vector< TautomerTransform >	RDKit::MolStandardize::readTautomers (const std::vector< std::tuple< std::string, std::string, std::string, std::string > > &data)