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.