Fingerprints.h File Reference

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Namespaces
namespace	RDKit
Functions
ExplicitBitVect *	RDKit::DaylightFingerprintMol (const ROMol &mol, unsigned int minPath=1, unsigned int maxPath=7, unsigned int fpSize=2048, unsigned int nBitsPerHash=4, bool useHs=true, double tgtDensity=0.0, unsigned int minSize=128)
	Generates a topological (Daylight like) fingerprint for a molecule.
ExplicitBitVect *	RDKit::RDKFingerprintMol (const ROMol &mol, unsigned int minPath=1, unsigned int maxPath=7, unsigned int fpSize=2048, unsigned int nBitsPerHash=4, bool useHs=true, double tgtDensity=0.0, unsigned int minSize=128)
ExplicitBitVect *	RDKit::LayeredFingerprintMol (const ROMol &mol, unsigned int layerFlags=0xFFFFFFFF, unsigned int minPath=1, unsigned int maxPath=7, unsigned int fpSize=2048, double tgtDensity=0.0, unsigned int minSize=128)
Variables
const std::string	RDKit::DaylightFingerprintMolVersion = "2.0.0-deprecated"
const std::string	RDKit::RDKFingerprintMolVersion = "1.0.0"
	Generates a topological (Daylight like) fingerprint for a molecule using an alternate (faster) hashing algorithm.
const std::string	RDKit::LayeredFingerprintMolVersion = "0.2.0"
	Generates a topological (Daylight like) fingerprint for a molecule using an alternate (faster) hashing algorithm.