MACCS.h File Reference

#include <RDGeneral/export.h>
#include <string>

Go to the source code of this file.

Namespaces
namespace	RDKit
	Std stuff.
namespace	RDKit::MACCSFingerprints

Functions
RDKIT_FINGERPRINTS_EXPORT ExplicitBitVect *	RDKit::MACCSFingerprints::getFingerprintAsBitVect (const ROMol &mol)
	returns the MACCS keys fingerprint for a molecule

Variables
const std::string	RDKit::MACCSFingerprints::maccsFingerprintVersion = "2.0.0"