From: Rajarshi G. <raj...@gm...> - 2013-10-07 11:59:31
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On Mon, Oct 7, 2013 at 5:52 AM, Egon Willighagen <ego...@gm... > wrote: > John, others, > > On Mon, Oct 7, 2013 at 11:31 AM, John May <joh...@gm...> > 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 |