Re: [Cdk-devel] RFC: atomic number versus symbol (was: smarts.AtomicNumberAtom bug (was HydrogenAdder))

[Rajarshi G. <rg...@in...>]

On Jan 18, 2008, at 8:33 AM, Egon Willighagen wrote:

> On Jan 18, 2008 2:30 PM, Rajarshi Guha <rg...@in...> wrote:
>> On Jan 18, 2008, at 8:19 AM, Egon Willighagen wrote:
>> I'm not sure I understand this. Why wouldn't the atomic number
>> available given a symbol? I thought that pseudo atoms were defined to
>> have atomic number 0
>
> I think only because we do/did not have NULL for that field yet?

Hmm. Well I think going the IElement route is a good idea. So  
IAtom.getSymbol() would access the symbol via the IElement field (for  
normal atoms). How would it work for pseudo atoms?

And IAtom.getAtomicNumber() would do it via the IElement as well? ANd  
a pseudo atom could just return 0

-------------------------------------------------------------------
Rajarshi Guha  <rg...@in...>
GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04  06F7 1BB9 E634 9B87 56EE
-------------------------------------------------------------------
...but there was no one in it.......
         - RG