Daylight v4.9
Release Date: 1 February 2008


dt_addh - add explicit hydrogens to a molecule

Generic Prototype

dt_addh(dt_Handle, dt_Boolean) => dt_Boolean

C Prototype

#include "dt_smiles.h"

dt_Boolean dt_addh(dt_Handle mol, dt_Boolean allh)

FORTRAN Prototype

include ''

integer*4 dt_f_addh(mol, allh)

integer*4 mol
integer*4 allh


Modifies a molecule or reaction by making implicit hydrogens into explicit atoms. If the argument 'allh' is TRUE, then all hydrogens in the molecule or reaction are made explicit. If 'allh' is FALSE, only hydrogens attached to chiral centers (atom-based chirality or EZ double-bond chirality) are made explicit. In all cases chirality of the underlying molecule is preserved.

This may only be applied when the object is in modify-on state (see dt_mod_on(3)).

Return Value

Returns TRUE on success, FALSE otherwise.

Related Topics

dt_alloc_mol(3) dt_alloc_reaction(3) dt_mod_is_on(3) dt_mod_off(3) dt_mod_on(3) dt_smilin_addh(3) dt_suppressh(3)