RDKit
Open-source cheminformatics and machine learning.
FunctionalGroupHierarchy.h File Reference
#include "FilterCatalog.h"

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Namespaces

 RDKit
 Std stuff.
 

Functions

const FilterCatalog & RDKit::GetFunctionalGroupHierarchy ()
 Return the functional group hierarchy as a FilterCatalog. More...
 
const std::map< std::string, ROMOL_SPTR > & RDKit::GetFlattenedFunctionalGroupHierarchy (bool normalized=false)