Re: [Cdk-devel] patch to tetst for bug 2786624

[Egon W. <ego...@gm...>]

On Tue, May 5, 2009 at 4:33 PM, Rajarshi Guha <rg...@in...> wrote:
> Attached is a patch for the SMARTS parser bug 2786624, in which the Sc in
> Sc1ccccc1 is mistaken for scandium.

The first string has 2 and 1 as ring closure, but no match.

The test has not explicit testing that the SMARTS that is being parsed
has 7 atoms... and that it has S instead of Sc...

Egon

-- 
Post-doc @ Uppsala University
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