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) | |