OEGetTreeFPType

const OEFPTypeBase *OEGetTreeFPType(unsigned int numbits,
                                    unsigned int minbonds, unsigned int maxbonds,
                                    unsigned int atype, unsigned int btype)

Returns an OEFPType::Tree 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 \(2^{16}\).

minbonds, maxbonds

The smallest and largest tree fragments (in bonds) that are enumerated during the fingerprint generation. All enumerated tree 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