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RDKit
Open-source cheminformatics and machine learning.
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#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 | |
RDKit | |
Includes a bunch of functionality for handling Atom and Bond queries. | |
Typedefs | |
typedef std::vector< boost::shared_ptr< ROMol > > | RDKit::MOL_SPTR_VECT |