RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>
#include <GraphMol/Fingerprints/FingerprintGenerator.h>
#include <GraphMol/Fingerprints/FingerprintUtil.h>
Go to the source code of this file.
Namespaces | |
namespace | RDKit |
Std stuff. | |
namespace | RDKit::TopologicalTorsion |
Functions | |
template<typename OutputType > | |
RDKIT_FINGERPRINTS_EXPORT FingerprintGenerator< OutputType > * | RDKit::TopologicalTorsion::getTopologicalTorsionGenerator (bool includeChirality=false, uint32_t torsionAtomCount=4, AtomInvariantsGenerator *atomInvariantsGenerator=nullptr, bool countSimulation=true, std::uint32_t fpSize=2048, std::vector< std::uint32_t > countBounds={1, 2, 4, 8}, bool ownsAtomInvGen=false) |
Get the Topological Torsion Generator object. | |