MolProcessing.h File Reference

#include <RDGeneral/export.h>
#include <vector>
#include <boost/dynamic_bitset.hpp>
#include <DataStructs/BitVects.h>
#include <GraphMol/RDKitBase.h>
#include <GraphMol/FileParsers/GeneralFileReader.h>
#include <GraphMol/Fingerprints/FingerprintGenerator.h>
#include <GraphMol/Fingerprints/MorganGenerator.h>

Go to the source code of this file.

Namespaces
namespace	RDKit
	Std stuff.
namespace	RDKit::MolProcessing
namespace	RDKit::MolProcessing::details

Functions
template<typename OutputType = std::uint32_t>
std::vector< std::unique_ptr< ExplicitBitVect > >	RDKit::MolProcessing::getFingerprintsForMolsInFile (const std::string &fileName, const GeneralMolSupplier::SupplierOptions &options=details::defaultSupplierOptions, FingerprintGenerator< OutputType > *generator=nullptr)

Variables
RDKIT_MOLPROCESSING_EXPORT GeneralMolSupplier::SupplierOptions	RDKit::MolProcessing::details::defaultSupplierOptions