MorganFingerprints.h File Reference

#include <vector>
#include <DataStructs/SparseIntVect.h>
#include <boost/cstdint.hpp>

Go to the source code of this file.

Namespaces
namespace	RDKit
namespace	RDKit::MorganFingerprints
Functions
SparseIntVect< boost::uint32_t > *	RDKit::MorganFingerprints::getFingerprint (const ROMol &mol, unsigned int radius, std::vector< boost::uint32_t > *invariants=0, const std::vector< boost::uint32_t > *fromAtoms=0)
	returns the Morgan fingerprint for a molecule
void	RDKit::MorganFingerprints::getConnectivityInvariants (const ROMol &mol, std::vector< boost::uint32_t > &invars, bool includeRingMembership=false)
	returns the connectivity invariants for a molecule
Variables
const std::string	RDKit::MorganFingerprints::morganFingerprintVersion = "0.1.0"

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Detailed Description

Definition in file MorganFingerprints.h.