Camelia, the Perl 6 bug

IRC log for #cdk, 2010-08-06

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All times shown according to UTC.

Time Nick Message
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10:25 egonw_ s9asad: can you please review this patch for SMSD?
10:25 egonw_ http://sourceforge.net/tracker/?func=detail&amp​;aid=3032568&group_id=20024&atid=320024
10:25 zarah egonw_'s link is also http://tinyurl.com/2bpfug7
10:25 s9asad ack
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16:24 egonw moin
16:24 zarah privet egonw
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16:53 maclean egonw : still in Oxford?
16:53 egonw yes
16:53 egonw until tomorrow morning, and then to London
16:53 egonw for a day
16:54 maclean Ah, right. Hope the workshop has been good.
16:55 * maclean is reviewing latest smsd patch.
16:55 egonw good
16:55 egonw yes, meeting was very good
16:55 egonw spoke with patrik who used the CDK in SMARTCyp
16:55 egonw about uniquely atom numbering...
16:56 egonw and symmetry detection
16:56 egonw he says something simple based on the CDK covers 99% of the chemistry he looked at
16:56 maclean excellent!
16:56 maclean uniquely atom numbering == canonical labelling?
16:57 egonw dunno
16:57 egonw I have yet to follow up on it
16:57 egonw it's in the SMARTCyp source code
16:57 egonw but not sure where yet
16:57 maclean ah, ok.
16:58 maclean did you see http://github.com/gilleain/labelling
16:58 zarah maclean's link is also http://tinyurl.com/2unx9y9
16:58 egonw no, don't think I had yet
16:58 maclean it's a small project that unifies the smiles canonical labeller, and signatures canonical labelling under a single interface.
16:59 maclean Not complete yet, really.
17:01 egonw ah, cool
17:01 egonw the morgan thing too?
17:01 maclean No, not that.
17:01 maclean Could do...
17:01 maclean Yeah, yeah, I suppose that would label. Right, of course.
17:02 maclean Suppose it would be nice to add in the group theory stuff, too. That labels. Well, it should.
17:04 maclean Oh. SMARTCyp is using the EquivalentClassPartitioner. Hmmm. Well, nice to know that actually works :)
17:05 egonw what's that?
17:05 egonw mmm....
17:05 egonw I have never seen that class :)
17:06 egonw well, I think I must have, as I cannot imagine anyone else added the BO dict link :)
17:06 maclean :)
17:11 maclean afk
17:14 maclean nolonger afk
18:09 CIA-51 cdk: Egon Willighagen master * ra0f22f6 / src/META-INF/test-pdb.cdkdepends : Added missing dependency - http://bit.ly/d5MI9H
18:24 CIA-51 cdk: Egon Willighagen master * ref14ef0 / src/META-INF/test-qsarmolecular.cdkdepends : Added missing dependencies (fixes failing unit tests) - http://bit.ly/c8x0PJ
18:30 CIA-51 cdk: Egon Willighagen master * re582852 / src/META-INF/test-smiles.cdkdepends : Added missing dependencies (fixes failing unit tests) - http://bit.ly/9OaUjf
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