On Thu, Nov 10, 2011 at 12:13 PM, Chris Morley <c.mor...@gaseq.co.uk> wrote:
> On 10/11/2011 15:35, David Lonie wrote:
> The confusion caused by too much choice and the deficiencies in all of
> the above mean that MolCore API (the proposed re-writing of the central
> part of the toolkit) deserves better. I am pushing for no atom indexes
> at all, and only one way for a user to reference an atom - a sort of
> atom pointer which remains valid whatever you do to the molecule. It is
> also an iterator that can be can be incremented in various interesting
> ways.

Interesting -- I imagine there would still be an id, just no index? I
rather like the sound of that, if it proves practical. It would
certainly simplify things!

Dave

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