FunctionalGroupHierarchy.h

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#include <RDGeneral/export.h>
#ifndef RDKIT_FUNCTIONAL_GROUP_HIERARCHY_H
#define RDKIT_FUNCTIONAL_GROUP_HIERARCHY_H
#include "FilterCatalog.h"
 
namespace RDKit {
//! Return the functional group hierarchy as a FilterCatalog
RDKIT_FILTERCATALOG_EXPORT const FilterCatalog &GetFunctionalGroupHierarchy();
//! Return the flattened functional group hierarchy as a string->ROMOL_SPTR map
//!  The label is the name of the functional group in the hiearchy
//!   e.g. Halogen.Bromine.Aliphatic
/*
    /param normalized If set to true, return the flattened hierarchy
                      with lower case labels.  [default false]
*/
RDKIT_FILTERCATALOG_EXPORT const std::map<std::string, ROMOL_SPTR>
    &GetFlattenedFunctionalGroupHierarchy(bool normalized = false);
}  // namespace RDKit
 
#endif