Craig,
Thanks for bringing up your previous message, it's definitely relevant. Was
that really in 2007?!
I propose, for argument's sake, that we should be using a LSSR, Largest Set
of Smallest Rings. It would go like this: A breadth-first search for rings,
which terminates when all ring
On Mon, Jun 21, 2010 at 6:43 PM, Craig A. James cja...@emolecules.com wrote:
The recent discussion of SSSR bugs prompted me to dig back through my emails
to one I wrote on 20 November 2007 to the BlueObelisk mailing list. Here it
is in its entirety.
Craig
On Mon, Jun 21, 2010 at 7:24 PM, Tim Vandermeersch
tim.vandermeer...@gmail.com wrote:
On Mon, Jun 21, 2010 at 6:43 PM, Craig A. James cja...@emolecules.com wrote:
The recent discussion of SSSR bugs prompted me to dig back through my emails
to one I wrote on 20 November 2007 to the BlueObelisk
On 6/21/10 1:21 PM, Tim Vandermeersch wrote:
Craig: Do you have test cases for aromaticity?
No, there's nothing that I know of that exercises all of the cases that should
be tested.
Craig
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