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RDKit
Open-source cheminformatics and machine learning.
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#include "FilterCatalog.h"Go to the source code of this file.
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) |