Perl 6 - the future is here, just unevenly distributed

IRC log for #cdk, 2014-04-06

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All times shown according to UTC.

Time Nick Message
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01:46 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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06:46 commitbot [cdk] egonw pushed 2 new commits to master: http://git.io/sfmLDg
06:46 commitbot cdk/master e7691f8 Stephan Beisken: The rotatable bond count descriptor should not include C-N amides and terminal hydrogen- and hetero-atoms for the extended Lipinki's rule of five implementation (see Veber, D.F. et al., 2002. Journal of medicinal chemistry, 45(12), pp.2615–23). The parameters for the rotatable bond counts descriptor have been modified to that end and an option has been added to exclude simple C-N amides (ignoring tautomeric or cha
06:46 commitbot cdk/master f01df07 Stephan Beisken: The Vertex Adjacency Magnitude descriptor requires the number of heavy atom - heavy atom bonds as input. The current incorrect calculation retrieves the number of heavy atoms instead. Correct bond number estimation and test cases have been added....
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07:26 commitbot [cdk] egonw pushed 4 new commits to master: http://git.io/gStCXQ
07:26 commitbot cdk/master a69010c John May: Storage and manipulation of an independent edge-set, a matching. A matching can be used to represent pi bond placement in conjugated/aromatic systems....
07:26 commitbot cdk/master 936ba2e John May: DisjointSetForest generally useful - move to cdk-standard. Left in the same package for now....
07:26 commitbot cdk/master 7f8e345 John May: Maximum matching using Edmond's blossom algorithm....
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07:42 commitbot [cdk] egonw pushed 6 new commits to master: http://git.io/wOj1SA
07:42 commitbot cdk/master 73f9148 John May: We can correctly define the descriptors exported by each module....
07:42 commitbot cdk/master 43e6ee3 John May: Move resources files required by cdh-hash to that module and eliminates dependence on testdata....
07:42 commitbot cdk/master 3e0b405 John May: Move the hash resources files to the same package as the test that needs them....
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10:37 commitbot [cdk] egonw pushed 1 new commit to master: http://git.io/DZ-rWA
10:37 commitbot cdk/master 1d51037 John May: Pattern implementation for SMARTS queries....
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11:23 commitbot [cdk] egonw pushed 2 new commits to master: http://git.io/BGpUTA
11:23 commitbot cdk/master 658546d John May: Triplet = 2 unpaired electrons, not currently represented....
11:23 commitbot cdk/master 36e2bcc John May: Unpaired electrons affect hydrogen count....
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19:34 commitbot [cdk] johnmay pushed 1 new commit to master: http://git.io/yl4KjA
19:34 commitbot cdk/master fcd9050 John May: Include simple javadoc tags.
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