Camelia, the Perl 6 bug

IRC log for #cdk, 2012-09-26

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All times shown according to UTC.

Time Nick Message
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14:41 konditorn egonw: ping
14:41 egonw pong
14:42 konditorn have you found the patch for MDLV2000Reader?
14:43 egonw I have had a cold... I have not had time to look it up yet, I'm afraid
14:45 konditorn oki. =) btw, earlier today I run a some molecules thru both the AtomTypeAwereSaturnationChecker and the FixBondOrderToll, and it seams that the SatChecker is faster than the other one...
14:52 egonw good, good :)
16:04 konditorn egonw: no the satChecker wasn't faster… Now I run 10000 molecules thru them:
16:05 konditorn FixBondOrderTool:
16:05 konditorn Total time: 23002 ms
16:05 konditorn Total molecules processed: 100000
16:05 konditorn Time per molecule: 230027 ns
16:05 konditorn and the SatChecker:
16:05 konditorn Total time: 176869 ms
16:05 konditorn Total molecules processed: 100000
16:05 konditorn Time per molecule: 1768691 ns
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16:16 egonw ouch
16:27 konditorn the interesting thing is that some of the molecules that I run in the first test is corner-cases…
16:29 konditorn I run the first molecules agin:
16:29 konditorn FixBondOrderTool:
16:29 konditorn Total time: 104292000 ns
16:29 konditorn Total molecules processed: 20
16:29 konditorn Time per molecule: 5214600 ns
16:29 konditorn AtomTypeAwareSaturationChecker:
16:29 konditorn Total time: 30386000 ns
16:29 konditorn Total molecules processed: 20
16:29 konditorn Time per molecule: 1519300 ns
16:30 konditorn so on those cases the AtomTypeAwareSaturationChecker is faster...
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