Kirk, On Tue, May 4, 2010 at 1:34 AM, Robert DeLisle <[email protected]> wrote: > > I found the files of interest and ran a few tests. The files resulting from > the tests are in the attached archive and here are the details.
Great, thanks for sending these. I confirmed that the new version of the code no longer generates nan's for these molecules and added them to the test case. Best Regards, -greg ------------------------------------------------------------------------------ _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
