Daylight v4.9
Release Date: 1 February 2008


dt_symclass - find the symmetry class of an atom

Generic Prototype

dt_symclass(dt_Handle, dt_Boolean) => dt_Integer

C Prototype

#include "dt_smiles.h"

dt_Integer dt_symclass(dt_Handle atom, dt_Boolean iso)

FORTRAN Prototype

include ''

integer*4 dt_f_symclass(atom, iso)

integer*4 atom
logical iso


Finds the symmetry class for the given atom. This will cause the values to be calculated if they haven't been already. The molecule must be in the modify-off state.

The flag 'iso' controls whether the isomeric or unique SMILES is used. If 'iso' is TRUE, the symmetry order is found for the isomeric SMILES, otherwise, the symmetry order is found for the unique SMILES.

Return Value

Returns the symmetry class of the atom. For all other objects, this property is defined as -1.

Related Topics

dt_addatom(3) dt_chiclass(3) dt_chiorder(3) dt_chiperm(3) dt_chiseq(3) dt_chival(3) dt_setchival(3) dt_symorder(3)