On Mon, May 17, 2010 at 11:22 AM, Noel O'Boyle <baoille...@gmail.com> wrote: > Hi all, > > I would like to be able to const iterate over the atoms of a mol with, > for example, FOR_CONST_ATOMS_OF_MOL or so. I am instead reduced to > using "for (i=1; i<=mol.NumAtoms(); ++i)" which is very sad. > > I'm not quite sure how to add this to OBMolAtomIter, so I'd appreciate > if someone else could do this or steer me in the right direction.
The easiest way to do this would be to add a OBConstMolAtomIter I think. A new (const) version for OBMol::BeginAtom/NextAtom is also needed. Shouldn't be alot of work though. Do you want me to add this? Note: Ideally, const OBMol objects would be used more. However there are methods which prevent this (e.g. GetSSSR, ...) > - Noel > > ------------------------------------------------------------------------------ > > _______________________________________________ > OpenBabel-Devel mailing list > OpenBabel-Devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-devel > ------------------------------------------------------------------------------ _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
