RDKit
Open-source cheminformatics and machine learning.
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

namespace  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)
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