On Sun, Oct 07, 2012 at 08:31:11PM +0100, Noel O'Boyle wrote: > On 6 October 2012 20:08, Reinis Danne <rei4...@gmail.com> wrote: > > On Mon, Oct 01, 2012 at 04:32:11PM -0400, Geoffrey Hutchison wrote: > >> If there are other changes or fixes on trunk that you'd like to see > >> resolved, speak now. > > > > After discussion on ob-discuss I just committed r5034 (improve > > bond peception to sulfur compounds) to trunk. If possible it > > would be great that it is still included in this release. > > It might be a good idea to test this patch against a large dataset to > ensure that it does not introduce any problems.
What do you mean by large dataset? I have tested it with at least one compound for each pattern and OB tests are passing with no complaints. It is not readily comparable since the previous behaviour was completely broken for all but sulfones. I consider this change to be specific enough (SO containing functional groups) to be safe. If you have concrete tests in mind, I can run them, but as the main result of such an exercise I see only discovering bugs for other functional groups. Reinis ------------------------------------------------------------------------------ Don't let slow site performance ruin your business. Deploy New Relic APM Deploy New Relic app performance management and know exactly what is happening inside your Ruby, Python, PHP, Java, and .NET app Try New Relic at no cost today and get our sweet Data Nerd shirt too! http://p.sf.net/sfu/newrelic-dev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
