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
OEFPTypeBase class