On 29 July 2010 03:16, Geoffrey Hutchison <ge...@geoffhutchison.net> wrote: >> I think the current buildertest failure is due to changes you made to >> fix that bug I reported back before we went on holidays, i.e. r3871. > > Well, this was an important bug -- I forgot that there were some issues with > molecules that already had all hydrogens added. We still attempt perception > in that case, and we did not clear the perception flags. > > At this point, CDash seems to show two consistent failures: > 1) align (which is causing timeouts -- it takes too long)
OBAlign is not working correctly right now. You can ask it to ignore hydrogens (which is the default, and what most people want) but it won't do so as the backend, Tim's simplified isomorphism code, currently does not have this ability. Tim's working on this (see emails on openbabel-dev a week or two ago). The reason all of this matters is that the test case is highly symmetic and only by ignoring hydrogens is there a chance that the isomorphism completes in a reasonable length of time. > 2) smartsparse (which are bugs, but not regressions relative to 2.2.x) > > I have one small project left for 2.3, but I think we're getting in good > shape. > > Are there unit tests which have currently been disabled because they're known > failures? Tim? Chris? I know there were a few issues with InChI -- I think we > should revisit these to know whether it's our problem, or an actual stereo > bug in InChI. If it's the latter, we may need to create workarounds. echo "<cml>fdfdfd</cml>" | babel -icml started failing after a change to the CML code and so I had to rewrite some tests to use a temporary file. Is this a corner case that no-one cares about, or should I dig up the details and file a bug? > -Geoff ------------------------------------------------------------------------------ The Palm PDK Hot Apps Program offers developers who use the Plug-In Development Kit to bring their C/C++ apps to Palm for a share of $1 Million in cash or HP Products. Visit us here for more details: http://p.sf.net/sfu/dev2dev-palm _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
