On Mon, Oct 7, 2013 at 5:52 AM, Egon Willighagen <egon.willigha...@gmail.com
> wrote:
> John, others,
>
> On Mon, Oct 7, 2013 at 11:31 AM, John May <john.wilkinson...@gmail.com>
> wrote:
> > I'm actually okay with ChemicalEntity but as a more appropriate name for
> the
> > existing ChemObject (which AtomContainer already extends).
>
> Similarly, we for long want to
> remove all those *FooSet classes and just List<IAtomContainer>,
> ummm... List<IMolecule>, ummm.... List<IChemicalEntity>...
>
> Rajarshi, now that you have some time, want to push some of your ideas
> in this area in the master?
>
I thought we had already removed the *Set classes, but I still see
IAtomContainerSet - could be dropped. List<IAtomContainer> would provide
the same functionality
IMolecularFormulaSet - can't comment as I see derived interfaces that I
don't know what they are for
IReactionSet - could be dropped. List<IReaction> would provide the same
functionality
IRingSet - this has more functionality that a plain List<IRing>, but IMO
the implementation should subclass List<IRing>
--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
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