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RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>#include <vector>#include <Catalogs/Catalog.h>#include "FragCatalogEntry.h"#include "FragCatParams.h"Go to the source code of this file.
Classes | |
| class | RDKit::FragFPGenerator |
Namespaces | |
| namespace | RDKit |
| Std stuff. | |
Typedefs | |
| typedef std::vector< std::pair< int, int > > | RDKit::MatchVectType |
| used to return matches from substructure searching, The format is (queryAtomIdx, molAtomIdx) | |