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.