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

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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)