RDKit
Open-source cheminformatics and machine learning.
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AcidBaseCatalogUtils.h File Reference

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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)