Camelia, the Perl 6 bug

IRC log for #cdk, 2012-05-08

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All times shown according to UTC.

Time Nick Message
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08:52 konditorn egonw: It getting all bonds right now =)
08:52 egonw konditorn++
08:53 egonw I'm at a meeting today, so will not be availble full time
08:53 egonw can you send updated code to Nina, so that she can put it online?
08:55 konditorn yes, I shall just add some more comments in the code first (and get a cup of coffy…)
08:55 egonw coffy sounds good
08:55 egonw goes good with a cough
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12:26 egonw konditorn: did you see the structure Kevin sent?
12:26 egonw which is supposed not to work?
12:27 konditorn no, I've read the mail but not the code.
12:27 egonw c1ccn2cccc2c1
12:27 egonw that is not working for him...
12:27 egonw on Nina's ambit
12:28 egonw can you test with your new version?
12:28 konditorn yes…
12:28 egonw mmm... ambit is down :(
12:30 egonw the nitrogen should be perceived as a N.planar
12:30 egonw (btw)
12:35 konditorn if it supposed to have 5 double bonds afterwards its working (and the nitrogen is set to planar3)
12:43 egonw hahahahah :)
12:46 konditorn mm… you're laughing… is that good…?
12:46 egonw laughing is always good...
12:46 konditorn =)
12:46 egonw but the nitrogen should have three single bonds
12:47 egonw (and a lone pair; if we want to make it chemically complete :)
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14:29 konditorn egonw: that molecule that Keving had (have?) troubles with It can't have more than four double bonds, can it? (when I draw it myself I can't place in more if the nitrogen is supposed to have only single bonds...)
14:30 konditorn smiles for it : c1ccn2cccc2c1
14:30 egonw yes, 4 is correct
14:31 egonw there is only one solution of double bond placement here
14:31 konditorn then my code is working =)
14:31 egonw excellent!
14:31 egonw konditorn++
14:31 egonw konditorn++
14:31 egonw konditorn++
14:31 zarah konditorn++
14:32 konditorn as long as the max bond order and bond order sum is set...
14:32 egonw explain
14:32 egonw for the atom type, you mean?
14:32 konditorn yes.
14:33 egonw ok, no worries...
14:33 konditorn =)
14:33 egonw with my work of this weekend, they are for all CDK atom types
14:33 konditorn egonw++
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22:21 Topic for #cdk is now The Chemistry Development Kit (http://cdk.sf.net) | JUnit CDK 1.2.7: 15690, 76 fails + 15 errors (0.58%) | Logs at http://moritz.faui2k3.org/​irclog/out.pl?channel=cdk | CDK News Feed: http://friendfeed.com/rooms​/chemistry-development-kit

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