Daylight v4.9 Release Date: 1 February 2008 Namedt_addatom - add an atom to a moleculeGeneric Prototypedt_addatom(dt_Handle, dt_Integer, dt_Integer) => dt_HandleC Prototype#include "dt_smiles.h"dt_Handle dt_addatom(dt_Handle mol, dt_Integer atomno, dt_Integer hcount) FORTRAN Prototypeinclude 'dt_f_smiles.inc'integer*4 dt_f_addatom(mol, atomno, hcount)
integer*4 mol
DescriptionAdds an atom with atomic number 'atomno' and 'hcount' attached hydrogens to the given molecule.This may only be applied when the molecule is in modify-on state (see dt_mod_on(3)). Atoms may be removed by deallocating them (see dt_dealloc). Return ValueReturns the handle of the new atom, or the NULL_OB if an error is detected.Related Topicsdt_addbond(3) dt_alloc_mol(3) dt_mod_is_on(3) dt_mod_off(3) dt_mod_on(3) dt_setnumber(3) dt_setweight(3) |