RDKit
Open-source cheminformatics and machine learning.
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FragFPGenerator.h File Reference
#include <vector>
#include <Catalogs/Catalog.h>
#include "FragCatalogEntry.h"
#include "FragCatParams.h"

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Classes

class  RDKit::FragFPGenerator
 

Namespaces

 RDKit
 Includes a bunch of functionality for handling Atom and Bond queries.
 

Typedefs

typedef std::vector< std::pair
< int, int > > 
RDKit::MatchVectType
 used to return matches from substructure searching, The format is (queryAtomIdx, molAtomIdx) More...