On Thu, Jul 7, 2011 at 6:37 PM, Vincent Le Guilloux <vincent.le-guill...@univ-orleans.fr> wrote: > In my experience, I have found both mecanism: some descriptors return NaN > values (while the getException() method returns null), and others throws > exceptions (in particular when they detect missing 3D coordinates).
Can you please file a bug report? Then I'll try to write a unit test for it, to test that we do not get Exceptions when no 3D are given... though I think we already might have such a test... anyway, please file a report, and I'll look at it asap. E. -- Dr E.L. Willighagen Postdoctoral Researcher Institutet för miljömedicin Karolinska Institutet (http://ki.se/imm) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ All of the data generated in your IT infrastructure is seriously valuable. Why? It contains a definitive record of application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-d2d-c2 _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
