RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>
#include <Catalogs/Catalog.h>
#include <Catalogs/CatalogParams.h>
#include "FilterCatalogEntry.h"
Go to the source code of this file.
Classes | |
class | RDKit::FilterCatalogParams |
class | RDKit::FilterCatalog |
Namespaces | |
namespace | RDKit |
Std stuff. | |
Typedefs | |
typedef RDCatalog::Catalog< FilterCatalogEntry, FilterCatalogParams > | RDKit::FCatalog |
Functions | |
RDKIT_FILTERCATALOG_EXPORT bool | RDKit::FilterCatalogCanSerialize () |
RDKIT_FILTERCATALOG_EXPORT std::vector< std::vector< boost::shared_ptr< const FilterCatalogEntry > > > | RDKit::RunFilterCatalog (const FilterCatalog &filterCatalog, const std::vector< std::string > &smiles, int numThreads=1) |
Run a filter catalog on a set of smiles strings. | |