From: Miguel R. C. <mig...@ya...> - 2009-05-17 20:43:53
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Attached patch fixes request tracker:patches 2793070. The formal charge of the IAtomcontainer is transfered to IMolecularFormula through checking the formal charge of each IAtom. Should be applied to cdk-1.2.x and master Miquel |
From: Egon W. <ego...@gm...> - 2009-05-18 05:45:12
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On Sun, May 17, 2009 at 10:43 PM, Miguel Rojas Cherto <mig...@ya...> wrote: > Attached patch fixes request tracker:patches 2793070. The formal charge > of the IAtomcontainer is transfered to IMolecularFormula through > checking the formal charge of each IAtom. > > Should be applied to cdk-1.2.x and master Reviewed and applied. Egon -- Post-doc @ Uppsala University http://chem-bla-ics.blogspot.com/ |