On Mon, Oct 7, 2013 at 1:59 PM, Rajarshi Guha <rajarshi.g...@gmail.com> wrote: > On Mon, Oct 7, 2013 at 5:52 AM, Egon Willighagen <egon.willigha...@gmail.com> > wrote: >> 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>
I do not think the patches were ever written... Egon -- Dr E.L. Willighagen Postdoctoral Researcher Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ORCID: 0000-0001-7542-0286 ------------------------------------------------------------------------------ October Webinars: Code for Performance Free Intel webinars can help you accelerate application performance. Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most from the latest Intel processors and coprocessors. See abstracts and register > http://pubads.g.doubleclick.net/gampad/clk?id=60134791&iu=/4140/ostg.clktrk _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
