Camelia, the Perl 6 bug

IRC log for #cdk, 2012-09-25

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All times shown according to UTC.

Time Nick Message
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09:18 konditorn egonw: ping
09:31 egonw pong
09:34 konditorn I look at the MDLV2000Reader, and if I remember right then I added a line that rise the SINGLE_OR_DOUBLE-flag if the bond order is 4. But I can't find that line...
09:35 egonw we have too many places to track patches at this time :(
09:35 egonw I though we had a patch for that too...
09:35 egonw it should be somewhere in my patch trees then...
09:36 konditorn me to, thats why I'm a bit confused...
09:39 konditorn I think a quick solution (for BC) is to just go thru the molecule once its read and if any bond has theISAROMATIC-flag raised then also raise the SINGLE_OR_DOUBLE.
09:41 egonw sorry, I got a cold...
09:41 egonw thinking is really difficult right now...
09:41 egonw I think it should be the other way around, not?
09:41 egonw I need to think about that...
09:41 egonw but that's the problem right now...
09:42 egonw on the bright side...
09:42 egonw double bond stereo output to InChI is now working...
09:42 egonw only, we don't read it from SMILES or MDL molfiles yet :)
09:42 konditorn =)
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17:12 egonw visualizator?
17:12 egonw jonalv: ping
17:12 egonw re: https://github.com/bioclipse/biocl​ipse.cheminformatics/commit/6c5504​3ae5a6fcd74aa2f4d23248c3841923b15e
17:13 egonw s/visualizator/visualizer/
17:13 egonw s/jmol/Jmol/
17:14 jonalv yea
17:15 jonalv egonw: sounds better, good point :)
17:15 jonalv egonw: you fix?
17:15 egonw btw ++ for the uppsala team for the great clean up work!
17:15 egonw yeah, can do
17:16 jonalv I am gonna go, talk later :)
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