RDKitFPGenerator.h File Reference

#include <RDGeneral/export.h>
#include <GraphMol/Fingerprints/FingerprintGenerator.h>

Go to the source code of this file.

Classes
class	RDKit::RDKitFP::RDKitFPArguments
class	RDKit::RDKitFP::RDKitFPAtomInvGenerator
class	RDKit::RDKitFP::RDKitFPAtomEnv< OutputType >
class	RDKit::RDKitFP::RDKitFPEnvGenerator< OutputType >

Namespaces
namespace	RDKit
	Std stuff.
namespace	RDKit::RDKitFP

Functions
template<typename OutputType >
RDKIT_FINGERPRINTS_EXPORT FingerprintGenerator< OutputType > *	RDKit::RDKitFP::getRDKitFPGenerator (unsigned int minPath=1, unsigned int maxPath=7, bool useHs=true, bool branchedPaths=true, bool useBondOrder=true, AtomInvariantsGenerator *atomInvariantsGenerator=nullptr, bool countSimulation=false, const std::vector< std::uint32_t > countBounds={1, 2, 4, 8}, std::uint32_t fpSize=2048, std::uint32_t numBitsPerFeature=2, bool ownsAtomInvGen=false)
	Get a RDKit fingerprint generator with given parameters.
template<typename OutputType >
RDKIT_FINGERPRINTS_EXPORT FingerprintGenerator< OutputType > *	RDKit::RDKitFP::getRDKitFPGenerator (const RDKitFPArguments &args, AtomInvariantsGenerator *atomInvariantsGenerator=nullptr, bool ownsAtomInvGen=false)