From: Stefan K. <ste...@eb...> - 2008-09-10 10:47:03
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On Tuesday 09 September 2008 06:30:52 you wrote: > On Mon, Sep 8, 2008 at 7:02 PM, Stefan Kuhn <ste...@eb...> wrote: > > I found that the molecule returned by MoleculeFactory.makeBenzene() does > > not have aromaticity set by default. Shouldn't that be done? Best not via > > detection but directly on all bonds and atoms to avoid a dependency? > > Please copy the method, and not change what it returns now. I'm sure > it is used in tests where it expects those flags not to be set. > (Murphy's law) > > Egon I can do that - but what use is a non-aromatic benzene as a test case? If there are parts of cdk which only work with non-aromatic benzene, it points to broken code, I would think. |