Hi all, with respect to the below features request *and* patch (Thomas++) I am looking for a test file we can distribute for an appropriate unit test, so as LGPL compatible..
Is anyone here able to provide a Mol2 test file with charges? Egon On Thu, Sep 16, 2010 at 10:03 AM, Thomas G. Kristensen <t...@cs.au.dk> wrote: > On Thu, Sep 16, 2010 at 8:28 AM, Egon Willighagen > <egon.willigha...@gmail.com> wrote: >> On Thu, Sep 16, 2010 at 8:24 AM, Thomas G. Kristensen <t...@cs.au.dk> wrote: >>> On Wed, Sep 15, 2010 at 12:43 PM, Egon Willighagen >>> <egon.willigha...@gmail.com> wrote: >>>> You can file a feature request... best to add an example file that we >>>> can use as test data, so LGPL licensed... a small demo file will do, >>>> so that we can write a unit test. >>> Hmmm, seems like a lot of work for such a simple feature. >> It's not needed for adding the feature; it's for making sure the >> feature works in 5 years too. > Fair enough, better build solid software :) > I did the silly thing and just implemented the feature and recompiled > the source. I have not written any tests, but if you're interested in > the updated version I've attached it. > >>> Do you mean >>> that the molecular file is supposed to be released under LGPL? I don't >>> think anybody has ever done that. >> All the test data in src/test/data is distributed as LGPL... > Okay. I'm not sure what my datas license is so I haven't added it. > > Once again, thanks for all your help. I'm happy that the community > supports solid software and I understand if my altered Mol2Reader wont > be added to the current version until proper tests are set up. > > Thomas > -- Dr E.L. Willighagen Post-doc @ Uppsala University (only until 2010-09-30) Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg 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 ------------------------------------------------------------------------------ Start uncovering the many advantages of virtual appliances and start using them to simplify application deployment and accelerate your shift to cloud computing. http://p.sf.net/sfu/novell-sfdev2dev _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
