On 11 December 2012 16:39, David van der Spoel <sp...@xray.bmc.uu.se> wrote: > On 2012-12-10 15:44, Geoffrey Hutchison wrote: >>> The SSSR of buckyball has changed. Can I just update the energy in the >>> appropriate test file? >> >> Yes. You can do that manually or run ffmff94 -g to re-generate the test file. >> > By the way is there an instruction somewhere how to add tests to the > repository?
There isn't. But you just edit CMakeLists.txt in the tests directory after copying and pasting an existing test file. You should decide whether you want to write the tests in C++ or Python. - Noel ------------------------------------------------------------------------------ LogMeIn Rescue: Anywhere, Anytime Remote support for IT. Free Trial Remotely access PCs and mobile devices and provide instant support Improve your efficiency, and focus on delivering more value-add services Discover what IT Professionals Know. Rescue delivers http://p.sf.net/sfu/logmein_12329d2d _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
