RDKit
Open-source cheminformatics and machine learning.
FragCatParams.h File Reference
#include <Catalogs/CatalogParams.h>
#include <string>
#include <vector>
#include <boost/shared_ptr.hpp>

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Classes

class  RDKit::FragCatParams
 container for user parameters used to create a fragment catalog More...

Namespaces

namespace  RDKit
 

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


Typedefs

typedef std::vector
< boost::shared_ptr< ROMol > > 
RDKit::MOL_SPTR_VECT
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