RDKit
Open-source cheminformatics and machine learning.
Loading...
Searching...
No Matches
FilterCatalog.h File Reference

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, FilterCatalogParamsRDKit::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.