The MMFF94 test fail is me. The change to SSSR order causes a fail - I've yet to look into it.
On 29 November 2012 19:04, Tim Vandermeersch <tim.vandermeer...@gmail.com> wrote: > Hi, > > I recently added the smiley test, this is still experimental and I have to > check it on more platforms etc. So don't worry about this one. > > I have no idea why the MMFF94 test fails though. I assume you were not > wroking on the force field code? > > Tim > > > On Thu, Nov 29, 2012 at 7:49 PM, David van der Spoel <sp...@xray.bmc.uu.se> > wrote: >> >> Hi, >> >> I ran the tests in the latest trunk and got >> >> The following tests FAILED: >> 14 - smiley_Test (Failed) >> 37 - ffmmff94_Test (Failed) >> >> any clue? >> >> -- >> David van der Spoel, Ph.D., Professor of Biology >> Dept. of Cell & Molec. Biol., Uppsala University. >> Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. >> sp...@xray.bmc.uu.se http://folding.bmc.uu.se >> >> >> ------------------------------------------------------------------------------ >> Keep yourself connected to Go Parallel: >> VERIFY Test and improve your parallel project with help from experts >> and peers. http://goparallel.sourceforge.net >> _______________________________________________ >> OpenBabel-Devel mailing list >> OpenBabel-Devel@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/openbabel-devel > > > > ------------------------------------------------------------------------------ > Keep yourself connected to Go Parallel: > VERIFY Test and improve your parallel project with help from experts > and peers. http://goparallel.sourceforge.net > _______________________________________________ > OpenBabel-Devel mailing list > OpenBabel-Devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-devel > ------------------------------------------------------------------------------ Keep yourself connected to Go Parallel: VERIFY Test and improve your parallel project with help from experts and peers. http://goparallel.sourceforge.net _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
