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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>Go to the source code of this file.
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 |