OEGetFPAtomTypeΒΆ

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.