MACCSGenerator.h File Reference

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

Go to the source code of this file.

Classes
class	RDKit::TopologicalTorsion::TopologicalTorsionArguments< OutputType >
class	RDKit::TopologicalTorsion::TopologicalTorsionAtomEnv< OutputType >
class	RDKit::TopologicalTorsion::TopologicalTorsionEnvGenerator< OutputType >

Namespaces
namespace	RDKit
	Std stuff.
namespace	RDKit::TopologicalTorsion

Functions
template<typename OutputType >
RDKIT_FINGERPRINTS_EXPORT FingerprintGenerator< OutputType > *	RDKit::TopologicalTorsion::getTopologicalTorsionGenerator (const bool includeChirality=false, const uint32_t torsionAtomCount=4, AtomInvariantsGenerator *atomInvariantsGenerator=nullptr, const bool countSimulation=true, const std::vector< std::uint32_t > countBounds={1, 2, 4, 8}, const std::uint32_t fpSize=2048, const bool ownsAtomInvGen=false)
	Get the Topological Torsion Generator object.