On Fri, Jul 10, 2009 at 10:37 AM, Noel O'Boyle<baoille...@gmail.com> wrote:
> With cdk-1.2.3.jar, I have:
>>>> cdk.readstring("smi", "CCCC").calcfp().bits
> [130, 527, 619, 748]
>>>> cdk.readstring("smi", "CCCN").calcfp().bits
> [130, 527, 619, 748, 918, 934, 1023]This is very bad indeed... I'm in the middle in the svn 2 git transition for Bioclipse and therefore did not respond immediately, but will write a unit test shortly to confirm that the cdk-1.2.x branch is affected... Meanwhile, I would very much appreciate if you could file a bug report... Egon -- Post-doc @ Uppsala University http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------------ Enter the BlackBerry Developer Challenge This is your chance to win up to $100,000 in prizes! For a limited time, vendors submitting new applications to BlackBerry App World(TM) will have the opportunity to enter the BlackBerry Developer Challenge. See full prize details at: http://p.sf.net/sfu/Challenge _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
