RDKit
Open-source cheminformatics and machine learning.
|
#include <RDGeneral/export.h>
#include <GraphMol/RDKitBase.h>
#include "AcidBaseCatalogParams.h"
#include <GraphMol/Substruct/SubstructMatch.h>
#include <GraphMol/ChemReactions/Reaction.h>
#include <iostream>
Go to the source code of this file.
Namespaces | |
namespace | RDKit |
Std stuff. | |
namespace | RDKit::MolStandardize |
Functions | |
RDKIT_MOLSTANDARDIZE_EXPORT std::vector< std::pair< ROMOL_SPTR, ROMOL_SPTR > > | RDKit::MolStandardize::readPairs (std::string fileName) |
RDKIT_MOLSTANDARDIZE_EXPORT std::vector< std::pair< ROMOL_SPTR, ROMOL_SPTR > > | RDKit::MolStandardize::readPairs (std::istream &inStream, int nToRead=-1) |
RDKIT_MOLSTANDARDIZE_EXPORT std::vector< std::pair< ROMOL_SPTR, ROMOL_SPTR > > | RDKit::MolStandardize::readPairs (const std::vector< std::tuple< std::string, std::string, std::string > > &data) |