OEGetFPAtomType

std::string OEGetFPAtomType(unsigned int value)

Returns the string representation of a value that is from the OEFPAtomType namespace. For example, the string representation of OEFPAtomType_AtomicNumber | OEFPAtomType_Aromaticity value is the "AtmNum|Arom" string.

The string representation of various fingerprint atom types

Atom type	String representation
OEFPAtomType_AtomicNumber	“AtmNum”
OEFPAtomType_Aromaticity	“Arom”
OEFPAtomType_Chiral	“Chiral”
OEFPAtomType_FormalCharge	“FCharge”
OEFPAtomType_HvyDegree	“HvyDeg”
OEFPAtomType_Hybridization	“Hyb”
OEFPAtomType_InRing	“InRing”
OEFPAtomType_HCount	“HCount”
OEFPAtomType_EqAromatic	“EqArom”
OEFPAtomType_EqHalogen	“EqHalo”
OEFPAtomType_EqHBondAcceptor	“EqHBAcc”
OEFPAtomType_EqHBondDonor	“EqHBDon”

unsigned int OEGetFPAtomType(const std::string &expression)

This function is the inverse of the previous OEGetFPAtomType function i.e. it converts the string representation into a value from the OEFPAtomType namespace.