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RDKit
Open-source cheminformatics and machine learning.
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#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 <iostream>
Go to the source code of this file.
Classes | |
class | RDKit::MolStandardize::TautomerTransform |
Namespaces | |
RDKit | |
Std stuff. | |
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) |