On Wed, Mar 3, 2010 at 6:42 PM, Geoffrey Hutchison <ge...@geoffhutchison.net> wrote: > > On Mar 3, 2010, at 12:40 PM, Tim Vandermeersch wrote: > >> Should we change this in the unit test (i.e. use the new smiles >> string)? > > I already changed it -- the aromatic SMILES is there. Any failures are with > the 2 remaining non-aromatic structures.
Great. >> Do you mean the crashes in expand_kekulize? These are often >> seen when opening pdb files (from Avogadro for example). > > If you can find a crash with the current trunk, file a new bug. I fixed the > old reports yesterday, and haven't found any new crashes with PDB files -- > not that I've gone through the whole database. :-) I just tried some pdb files which were failing a few days ago and it looks good now. > -Geoff ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
