Daylight v4.9
Release Date: 1 February 2008


dt_fp_partfp - generate a partial fingerprint

Generic Prototype

dt_fp_partfp(dt_Handle, dt_Handle, dt_Integer, dt_Integer,
dt_Integer) => dt_Handle

C Prototype

#include "dt_finger.h"

dt_Handle dt_fp_partfp(dt_Handle ab, dt_Handle object, dt_Integer minstep, dt_Integer maxstep, dt_Integer size)

FORTRAN Prototype

include ''

integer*4 dt_f_fp_partfp(ab, object, minstep, maxstep, size)

integer*4 ab
integer*4 object
integer*4 minstep
integer*4 maxstep
integer*4 size


Generates an atom or bond partial fingerprint. A partial fingerprint is a normal fingerprint, where bits are set only for paths which contain the atom or bond 'ab'. See dt_fp_generatefp(3) for more details on normal fingerprint generation.

The object 'object' can be any object for which dt_stream(object, TYP_ATOM) and dt_stream(object, TYP_BOND) will return a stream of atoms and bonds, respectively. Typically, 'object' is a molecule, but paths, pathsets, cycles, atoms, bonds, and reactions can be used to generate fingerprints if desired.

The object 'ab' can be either an atom or bond, but it must be a member of 'object'.

Return Value

Returns a new fingerprint object. Returns NULL_OB if 'object' is an inappropriate object type or if 'ab' is not an atom or bond which is a member of 'object'.

Related Topics

dt_fp_allocfp(3) dt_fp_bitcount(3) dt_fp_bitvalue(3) dt_fp_euclid(3) dt_fp_fingertest(3) dt_fp_foldfp(3) dt_fp_generatefp(3) dt_fp_nbits(3) dt_fp_obitcount(3) dt_fp_obits(3) dt_fp_range(3) dt_fp_setbitvalue(3) dt_fp_setobitcount(3) dt_fp_setobits(3) dt_fp_setrange(3) dt_fp_tanimoto(3) dt_fp_tversky(3) dt_fp_tversky(3)