Camelia, the Perl 6 bug

IRC log for #bioclipse, 2010-07-26

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All times shown according to UTC.

Time Nick Message
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08:38 egonw moin
08:38 egonw mmm... did we loose zarah again?
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11:17 egonw hi edrin
11:17 edrin hi egonw
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15:01 abereles egonw: what is the best way of instantiating molecules for testing? does it always involve the cdkmanager?
15:03 egonw a bioclipse IMolecule?
15:04 egonw the cdk manager is the easiest
15:04 abereles the sort of molecules that we intend to cluster
15:05 abereles are IMolecules?
15:05 egonw yes
15:05 abereles ok, thanks
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15:50 abereles egonw: some further questions
15:52 abereles i am trying to run abstractcdkmanagerplugintest
15:52 abereles and it fails due to file not found
15:53 abereles specific file is 0037.cml
15:54 abereles there are only a couple of tests that load a molecule(s) from files and i can't get either to run
15:55 abereles i can try to place the file where the test can find it but i am wondering why this problem occurred
15:56 egonw are you running it as Plugin Unit Tests?
15:58 abereles yes
15:59 abereles some tests succeed
16:00 abereles is there a practical way to construct molecules without loading them from a file?
16:00 egonw cdk.fromSMILES("CCC")
16:01 abereles what should i do?
16:04 egonw ?
16:05 abereles is using the fromSmiles method going to yield the sort of molecules usable for testing?
16:05 egonw yes
16:05 egonw it returns an IMolecule
16:05 abereles i will try this, thanks
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16:22 egonw maclean: CLI for atomic signature calculation is in wave...
16:23 maclean egonw : cool.
16:23 egonw but for the rest of the TODO I will need your code...
16:23 maclean which codes?
16:23 egonw will try to get a .jar done after dinner
16:23 egonw 3D -> chiral
16:23 egonw got to go now
16:23 maclean ok
16:23 egonw ttl
16:23 maclean ttfn
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22:38 abereles spring question for anyone

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