OEGetCircularFPTypeΒΆ

const OEFPTypeBase *OEGetCircularFPType(unsigned int numbits,
                                        unsigned int minradius, unsigned int maxradius,
                                        unsigned int atype, unsigned int btype)

Returns an OEFPType::Circular fingerprint type generated with the given parameters.

numbits
The size of the fingerprint in bits. This number has to be larger than or equal to \(2^4\) and smaller than \(2^{16}\).
minradius, maxradius
The smallest and largest circular fragments (in radius) that are enumerated during the fingerprint generation. All enumerated circular fragments are hashed into the OEFingerPrint object.
atype
Defines which atom properties are encoded during the fingerprint generation. This value has to be either a value or a set of bitwise OR’d values from the OEFPAtomType namespace.
btype
Defines which bond properties are encoded during the fingerprint generation. This value has to be either a value or a set of bitwise OR’d values from the OEFPBondType namespace.

See also