RDKit
Open-source cheminformatics and machine learning.
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FragFPGenerator.h File Reference
#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)