Camelia, the Perl 6 bug

IRC log for #cdk, 2007-09-01

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All times shown according to UTC.

Time Nick Message
03:26 CIA-1 jmol: hansonr * r8179 /trunk/Jmol/src/org/jmol/ (3 files in 2 dirs): 11.3.14 making color option as consistent and intuitive as possible
06:08 jbrefort joined #cdk
06:46 CIA-1 jmol: nicove * r8180 /trunk/Jmol-FAH/projects/ (p2426.xyz.gz p3663.xyz.gz p3707.xyz.gz): Folding@Home
07:53 egonw joined #cdk
07:53 egonw moin
11:50 CIA-1 jmol: hansonr * r8181 /trunk/Jmol/src/org/jmol/viewer/Eval.java: 11.3.14 color bug
13:03 CIA-1 jmol: aherraez * r8182 /branches/v11_2/Jmol/src/org/jmo​l/translation/JmolApplet/es.po: Spanish
13:29 CIA-1 cdk: egonw * r8792 /trunk/cdk/src/org/openscience/cdk/test/atomt​ype/CDKAtomTypeMatcherTestFileReposTest.java: Added test for the new CDKAtomTypeMatcher using existing test files. It does not test if the perception is in order, just if all atoms are perceived.
13:39 egonw OK, just ran this test against all MDL V2000 molfiles...
13:39 egonw 2192 atom types perceived for 2327 atoms ...
13:39 egonw that's not bad :)
13:39 egonw that's better than I hoped
13:40 Nout^gone joined #cdk
13:48 egonw hi Nout^gone
13:48 CIA-1 cdk: egonw * r8793 /trunk/cdk/src/org/openscience/cdk/test/atomt​ype/CDKAtomTypeMatcherTestFileReposTest.java: Added a test base: 2192 atoms perceived, 135 failed. Not that bad. Note: only indicates that some atom type was recognized, not that the right atom type was perceived.
14:14 Nout^gone hey
14:17 egonw hi Nout
14:20 * Nout goes downstairs to fetch some pie :)
14:21 egonw :)
15:45 egonw bla
15:45 egonw eclipse is crashing under my ****
15:45 egonw even though *I* lost weight...
16:30 CIA-1 cdk: egonw * r8794 /trunk/cdk/src/org/openscience/cdk​/atomtype/CDKAtomTypeMatcher.java: Deal with BONDORDER_AROMATIC: didn't we phase that out??
17:10 edrin joined #cdk
17:41 CIA-1 cdk: egonw * r8795 /trunk/cdk/src/org/openscience/cdk/ (3 files in 3 dirs): Added two sulphur types
18:09 edr1n joined #cdk
18:26 CIA-1 cdk: rajarshi * r8796 /trunk/cdk/src/org/openscience/​cdk/qsar/descriptors/molecular/ (3 files): Updated to use Java 1.5 idioms
18:29 CIA-1 cdk: egonw * r8797 /trunk/cdk/src/data/mdl/shortest_path_test.mol: Fixed file format: copy/pasting from email programs lost a space at the start of the line
18:33 CIA-1 cdk: rajarshi * r8798 /trunk/cdk/src/org/openscience/cdk/tools/m​anipulator/AtomContainerManipulator.java: Updated to use Java 1.5 idioms
18:37 CIA-1 cdk: rajarshi * r8799 /trunk/cdk/src/org/openscience/cdk/tools/m​anipulator/AtomContainerManipulator.java: Updated to use Java 1.5 idioms and add type information for the containers
18:38 CIA-1 cdk: egonw * r8800 /trunk/cdk/src/org/openscience/cdk/ (io/MDLV2000Reader.java test/io/MDLV2000ReaderTest.java): Fixed reading of MDL molfiles with exactly 12 columns (==valid) in the bond block
18:39 CIA-1 cdk: rajarshi * r8801 /trunk/cdk/src/org/openscience/cdk/qsar/d​escriptors/molecular/BCUTDescriptor.java: Updated to use Java 1.5 idioms
18:44 CIA-1 cdk: rajarshi * r8802 /trunk/cdk/src/org/openscience/​cdk/qsar/descriptors/molecular/ (4 files): Made a little more memory efficient by removing unnesscary cloning operations
18:48 CIA-1 cdk: rajarshi * r8803 /trunk/cdk/src/org/openscience/cdk/qsar/d​escriptors/molecular/BCUTDescriptor.java: Fixed it so that we make a deep copy of the input molecule
18:56 CIA-1 cdk: rajarshi * r8804 /trunk/cdk/src/org/openscience/cdk/qsar/descript​ors/molecular/GravitationalIndexDescriptor.java: Converted to Java 1.5 idioms
19:02 CIA-1 cdk: rajarshi * r8805 /trunk/cdk/src/org/openscience/cdk/qsar/descr​iptors/molecular/IPMolecularDescriptor.java: Converted to Java 1.5 idioms
19:05 CIA-1 cdk: rajarshi * r8806 /trunk/cdk/src/org/openscience/cdk/qsar/descript​ors/molecular/KappaShapeIndicesDescriptor.java: Converted to Java 1.5 idioms, cleaned up the code a little
19:07 CIA-1 cdk: rajarshi * r8807 /trunk/cdk/src/org/openscience/cdk/qsar/descr​iptors/molecular/LargestChainDescriptor.java: Converted to Java 1.5 idioms, cleaned up the code a little
19:10 CIA-1 cdk: rajarshi * r8808 /trunk/cdk/src/org/openscience/cdk/qsar/descrip​tors/molecular/MomentOfInertiaDescriptor.java: A bit of code cleanup
19:11 CIA-1 cdk: rajarshi * r8809 /trunk/cdk/src/org/openscience/​cdk/qsar/descriptors/molecular/ (2 files): Added code to work on a local copy of theinput molecule
19:12 CIA-1 cdk: rajarshi * r8810 /trunk/cdk/src/org/openscience/cdk/qsar/d​escriptors/molecular/MDEDescriptor.java: Code cleaned up
19:13 CIA-1 cdk: rajarshi * r8811 /trunk/cdk/src/org/openscience/cdk/qsar/descrip​tors/molecular/MomentOfInertiaDescriptor.java: Updated Javadocs
19:14 CIA-1 cdk: shk3 * r8812 /branches/cdk-1.0.x/src/org/openscience/cdk/appl​ications/jchempaint/JChemPaintEditorPanel.java: export does not change screen
19:16 shk3 joined #cdk
19:18 CIA-1 cdk: shk3 * r8813 /trunk/cdk/src/org/openscience/cdk/applicat​ions/jchempaint/JChemPaintEditorPanel.java: export does not change screen
19:35 CIA-1 cdk: rajarshi * r8814 /trunk/cdk/src/org/openscience/cdk/qsar/descrip​tors/molecular/PetitjeanNumberDescriptor.java: Simplified code
19:39 CIA-1 cdk: shk3 * r8815 /branches/cdk-1.0.x/src/org/openscience/cdk/app​lications/jchempaint/action/ExportAction.java: export warns if file already exists
19:39 CIA-1 cdk: rajarshi * r8816 /trunk/cdk/src/org/openscience/​cdk/qsar/descriptors/molecular/ (CPSADescriptor.java TPSADescriptor.java): Added code to properly work on a local copy
19:45 CIA-1 cdk: rajarshi * r8817 /trunk/cdk/src/org/openscience/​cdk/qsar/descriptors/molecular/ (WHIMDescriptor.java XLogPDescriptor.java): Added code to properly work on a local copy
19:49 CIA-1 cdk: shk3 * r8818 /trunk/cdk/src/org/openscience/cdk/applica​tions/jchempaint/action/ExportAction.java: export warns if file already exists
19:50 CIA-1 cdk: rajarshi * r8819 /trunk/cdk/src/org/openscience/​cdk/qsar/descriptors/molecular/ (2 files): Added code to properly work on a local copy
19:52 CIA-1 jmol: hansonr * r8183 /trunk/Jmol/src/org/jmol/ (12 files in 6 dirs): (log message trimmed)
19:52 CIA-1 jmol: 11.3.14
19:52 CIA-1 jmol: # new feature: expanded color command for properties
19:52 CIA-1 jmol: #
19:52 CIA-1 jmol: # color atoms property partialcharge "rwb" range -1.0 1.0
19:52 CIA-1 jmol: #
19:52 CIA-1 jmol: # and reverse with range inverted:
19:53 CIA-1 cdk: rajarshi * r8820 /trunk/cdk/src/org/openscienc​e/cdk/qsar/descriptors/bond/ (IPBondDescriptor.java ResonancePositiveChargeDescriptor.java): Added code to properly work on a local copy
19:56 CIA-1 cdk: rajarshi * r8821 /trunk/cdk/src/org/openscience/cdk/qsar/descript​ors/atompair/PiContactDetectionDescriptor.java: Added code to properly work on a local copy
20:04 CIA-1 cdk: shk3 * r8822 /branches/cdk-1.0.x/src/org/openscience/cdk/appl​ications/jchempaint/JChemPaintEditorPanel.java: the image is not set off the border 40 px (til now, labels at the border were cut off)
20:07 CIA-1 cdk: shk3 * r8823 /trunk/cdk/src/org/openscience/cdk/applicat​ions/jchempaint/JChemPaintEditorPanel.java: the image is not set off the border 40 px (til now, labels at the border were cut off)
20:10 CIA-1 jmol: hansonr * r8184 /trunk/Jmol/src/org/jmol/ (shapespecial/Isosurface.java viewer/Eval.java): (log message trimmed)
20:10 CIA-1 jmol: # new feature: expanded color command for properties
20:10 CIA-1 jmol: #
20:10 CIA-1 jmol: # color atoms property partialcharge "rwb" range -1.0 1.0
20:10 CIA-1 jmol: #
20:10 CIA-1 jmol: # and reverse with range inverted:
20:10 CIA-1 jmol: #
20:18 CIA-1 cdk: rajarshi * r8824 /trunk/cdk/src/org/openscience​/cdk/qsar/descriptors/atomic/ (8 files): Added code to properly work on a local copy
20:34 shk3 any real person here?
20:44 edrin joined #cdk
21:04 shk3 hi edrin
21:10 edrin hi shk3
21:10 shk3 do you have a few seconds of time?
21:10 edrin yes
21:11 shk3 could you download the jchempaint-2.2.1.jar from sf
21:11 shk3 and test if it works with java -jar jchempaint-2.2.1.jar
21:11 shk3 ?
21:11 edrin and then?
21:11 shk3 I get a NPE at startup
21:11 shk3 would like to see if it's just my machine
21:11 shk3 would be bad if releases don't work
21:12 edrin ok
21:12 edrin just a second
21:14 edrin downloading...
21:15 edrin shk3: for me java -jar jchempaint-2.2.1.jar resulted in the window to pop up. no error message
21:15 shk3 puuh
21:16 shk3 so my java setup here is wrong
21:16 shk3 thanks
21:25 edrin :)
21:36 shk3 i am leaving
21:36 shk3 see you
22:21 neksa_ joined #cdk

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