RDKit: RDKitFPGenerator.h File Reference

| RDKit Open-source cheminformatics and machine learning.

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Classes | Namespaces | Functions
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)