Release Date: 1 February 2008
Namedt_molecule - return the molecule of an object
Generic Prototypedt_molecule(dt_Handle) => dt_Handle
C Prototype#include "dt_smiles.h"
dt_Handle dt_molecule(dt_Handle object)
FORTRAN Prototypeinclude 'dt_f_smiles.inc'
DescriptionSome objects have a 'hidden' molecule object associated with them. It is often convenient to use this molecule, rather than recreating it.
In general, you must not alter or deallocate this molecule, as it is owned by the object 'object'. The object uses the molecule, and then deallocates it when it is done with it.
If a THOR object (datatree, dataitem, datafield) contains a SMILES of any sort, the TDT maintains a molecule object for that SMILES. That molecule is returned by dt_molecule(3).
Return ValueReturns the hidden molecules handle or the NULL_OB if 'object' does not have a hidden molecule associated with it or if an error is detected.