Camelia, the Perl 6 bug

IRC log for #cdk, 2008-05-06

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All times shown according to UTC.

Time Nick Message
00:40 CIA-31 cdk: miguelrojasch * r10847 /cdk/branches/miguelrojasch-charges/ (668 files in 103 dirs): Synchronized with trunk the branches.miguelrojasch-charges, revis:10726:10846
00:54 CIA-31 cdk: rajarshi * r10848 /cdk-qa/trunk/projects/070​928-0001/AtomTypeQA.java: Updated code to use the text ASN.1 format
00:57 CIA-31 cdk: rajarshi * r10849 /cdk/trunk/src/META-INF/io.cdkdepends: Updated the CDK deps for the io module since the Pubchem ASN reader uses DefaultChemObjectBuilder
03:33 CIA-31 blueobelisk: cjames53 * r252 /smiles-spec/trunk/ (4 files): (log message trimmed)
03:33 CIA-31 blueobelisk: open-smiles-3-input.html
03:33 CIA-31 blueobelisk:  "Trial balloon" version of aromaticity to see if it's possible to
03:33 CIA-31 blueobelisk:  enumerate all cases. Incomplete.
03:33 CIA-31 blueobelisk: open-smiles.css
03:33 CIA-31 blueobelisk: open-smiles-4-output.html
03:33 CIA-31 blueobelisk: open-smiles-5-nonstandard.html
03:43 CIA-31 blueobelisk: cjames53 * r253 /smiles-spec/trunk/sp2/ (37 files): Added drawings for aromatic centers.
05:30 CIA-31 cdk: egonw * r10850 /cdk/trunk/src/test/org/openscienc​e/cdk/modulesuites/MioTests.java: Removed test, which was already in test-smiles and broken dependencies
05:59 rojasm joined #cdk
06:11 CIA-31 cdk: miguelrojasch * r10851 /cdk/branches/miguelrojasch-CMLReact/: Removed branch-miguelrojasch-CMLReact, to make place for a fresh src/main, src/test
06:25 CIA-31 cdk: egonw * r10852 /cdk/trunk/jar/kxml2-2.3.0.jar: A small XML pull parser lib
06:26 CIA-31 cdk: egonw * r10853 /cdk/trunk/src/data/asn/pubchem/aceticAcids38.xml: A PubChem XML formated ASN.1 file with three acetic acid structures (was originally 38, hence the name :)
06:26 CIA-31 cdk: egonw * r10854 /cdk/trunk/src/ (2 files in 2 dirs): Added a template reader
06:26 CIA-31 cdk: egonw * r10855 /cdk/trunk/.classpath: Added a template reader
06:45 CIA-31 cdk: miguelrojasch * r10856 /cdk/branches/miguelrojasch-char​ges/src/META-INF/io.cdkdepends: Syncronized with trunk the branches.miguelrojasch-charges, rev=10835:10851
06:56 thomas_ku joined #cdk
06:56 thomas_ku moin
07:10 rojasm joined #cdk
07:20 CIA-31 cdk: thomaskuhn * r10857 /cdk-taverna-paper/trunk/cd​k-taverna/bmc_article.tex: Move to another pc and just commit a few changes
07:52 CIA-31 cdk: miguelrojasch * r10858 /cdk/trunk/src/META-INF/io.libdepends: added missed kxml2-2.3.0.jar in libdepends for the io.module. Producing errors by compiling
08:00 egonw joined #cdk
08:03 * egonw is looking forward to the next CDK Nightly build
08:04 rojasm egonw I added in io.libdepends the jar kxml2-...jar
08:04 egonw oh, thanx
08:04 egonw that reminds me,...
08:04 egonw I actually wanted to set up a separate module...
08:04 rojasm oo
08:04 egonw but the 40-some kB extra weight is not really a problem
08:08 jonalv joined #cdk
08:14 jpansanel moin
08:14 jpansanel egonw : I'm currently in a meeting for the European Project
08:15 egonw jpansanel: please let me knwo which program it is...
08:15 egonw so that I can look up the details on the EU webpage...
08:15 egonw with respect for money, format or prorgam, number of expected participants, etc..
08:21 jpansanel ICT
08:21 jpansanel number of participant 5-10
08:21 egonw industrial too?
08:21 jpansanel yes
08:21 jpansanel with a global budget of 3-4 millions of €
08:21 jpansanel euros
08:23 egonw of, so a 2-3 year time span
08:23 jpansanel 3 years
08:35 masak joined #cdk
08:43 rojasm egonw how I can return the branch for a specific revision
08:43 egonw yes
08:43 egonw svn update -R someversion
08:43 egonw or -r
08:43 egonw not sure
08:43 rojasm but than it is only in my workspace
08:44 masak it's -r
08:44 rojasm and not in the repository, isnnt it?
08:44 masak rojasm: correct
08:44 masak for the latter, you need to do `svn merge`
08:44 masak with flag -r thisrev:oldrev
08:45 masak hm, `-r $thisrev:$oldrev`
08:46 masak having done that, you need to `svn commit`
08:47 rojasm Iok thanks
08:47 CIA-31 bioclipse: jonalv * r5554 /bioclipse2/trunk/plugins/ (3 files in 2 dirs): mangertest for creating and retrieving structures now passes
08:48 masak rojasm: np
08:48 masak btw, `svn merge -r $from:$to` becomes much more wonderful once you realise that there are _absolutely no_ restrictions on $from and $to
08:49 masak you can do rollbacks on selective revisions and so on
08:49 masak (which makes 'merge' kind of a stupid name)
08:49 rojasm perfect thanks again
08:50 rojasm I will try again
09:08 CIA-31 cdk: egonw * r10859 /cdk/trunk/src/ (2 files in 2 dirs): Finished template. The iteration is already working, but it does not read atoms and bonds yet
09:11 masak joined #cdk
09:26 CIA-31 cdk: egonw * r10860 /cdk/trunk/src/ (2 files in 2 dirs): Removed STDOUT use
09:27 CIA-31 bioclipse: jonalv * r5555 /bioclipse2/trunk/plugins/net.bioclipse.jmol/src/n​et/bioclipse/jmol/adapter/cdk/CdkJmolAdapter.java: Switched from catching arrayindexoutofboundsexception into catching indexoutofboundsexception. Still not sure it makes sence...
09:27 CIA-31 cdk: egonw * r10861 /cdk/trunk/src/test/org/openscienc​e/cdk/modulesuites/MioTests.java: Added tests to the main test suite
09:34 CIA-31 bioclipse: ospjuth * r5556 /bioclipse2/trunk/plugins/net.bioclipse.cdk/ (.classpath META-INF/MANIFEST.MF build.properties): Added kxml.jar to classpath.
09:34 CIA-31 bioclipse: jonalv * r5557 /bioclipse2/trunk/plugins/ (4 files in 3 dirs): Creating and retrieiving folders now work
09:54 CIA-31 bioclipse: jonalv * r5558 /bioclipse2/trunk/plugins/ (3 files in 2 dirs): manager test for creating and retrieivng users now passes
09:59 CIA-31 bioclipse: carl_masak * r5559 /bioclipse2/trunk/plugins/net.bioclipse.ui/src/n​et/bioclipse/ui/views/ScriptingConsoleView.java:
09:59 CIA-31 bioclipse: [ScriptingConsoleView.java]
09:59 CIA-31 bioclipse: * added a few checks for nulls
10:00 egonw bbl (lunch)
10:01 rojasm with svn merge -r oldrevi:newrevi https:.....
10:01 rojasm it is not working very well
10:01 rojasm a lot of errors of incompatibility
10:36 steinbeck joined #cdk
10:54 egonw rojasm: make sure to exclude the sync with trunk
10:55 egonw steinbeck: please make the index.html for cdk group writable
10:58 steinbeck egonw: ack
10:58 steinbeck mom
10:59 egonw I'll have it point to sf.net/projects/cdk now, until the almost server is back online
10:59 steinbeck ack
11:00 steinbeck it is g+w now
11:00 egonw thanx
11:02 CIA-31 cdk: miguelrojasch * r10862 /cdk/branches/miguelrojasch-charges/ (7 files in 7 dirs): Synchronized with trunk the branches.miguelrojasch-charges, rev=10846:10861
11:34 CIA-31 bioclipse: jonalv * r5560 /bioclipse2/trunk/plugins/net.bioclipse.st​ructuredb.tests/tests/net/bioclipse/struct​uredb/persistency/dao/FolderDaoTest.java: Test for putting structure in folder. It fails. :(
11:44 egonw steinbeck: I suggest not to change the SF project name
11:44 egonw too much work
11:51 malick joined #cdk
11:54 thomas_ku joined #cdk
11:54 CIA-31 bioclipse: carl_masak * r5561 /bioclipse2/trunk/plugins/net.bioclipse.​services/src/net/bioclipse/services/view​s/model/AbstractServiceContainer.java:
11:54 CIA-31 bioclipse: [AbstractServiceContainer.java]
11:54 CIA-31 bioclipse: * prevented getChildren method from returning null
11:54 CIA-31 bioclipse: * added defensive copying
11:56 CIA-31 bioclipse: carl_masak * r5562 /bioclipse2/trunk/plugins/net.bioclipse.​services/src/net/bioclipse/services/view​s/model/AbstractServiceContainer.java:
11:56 CIA-31 bioclipse: [AbstractServiceContainer.java]
11:56 CIA-31 bioclipse: * removed useless check for membership
12:04 CIA-31 cdk: egonw * r10863 /cdk/trunk/src/ (2 files in 2 dirs): Added reading of atom symbols, bonds + orders (SINGLE, DOUBLE, TRIPLE only)
12:44 CIA-31 cdk: egonw * r10864 /cdk/trunk/src/test/org/openscien​ce/cdk/io/ReaderFactoryTest.java: Register format, to make this test work from within Eclipse too
12:45 CIA-31 cdk: egonw * r10865 /cdk/trunk/src/ (5 files in 3 dirs): Added the new formats + tests if the do the matching properly
12:47 dleidert joined #cdk
12:59 CIA-31 cdk: rajarshi * r10866 /cdk/trunk/src/main/org/openscience/cdk/io/​iterator/IteratingPCCompoundXMLReader.java: Added a constructor to read from an InputStream, like the other iterating readers
13:02 egonw hi dleidert
13:02 dleidert hi egonw
13:02 CIA-31 cdk: rajarshi * r10867 /cdk/trunk/src/main/org/openscience/cd​k/io/iterator/IteratingMDLReader.java: Fixed some Javadocs
13:08 egonw yeah, nightly is rebuilding....
13:08 egonw rappaaa, rappaaa, ....
13:12 egonw http://cheminfo.informatics.indiana.edu/​~rguha/code/java/nightly/junitdiff.html
13:13 egonw yeah, trunk is definately moving in the right direction :)
13:14 CIA-31 cdk: rajarshi * r10868 /cdk-qa/trunk/projects/070928-0001/ (AtomTypeQA.java dailyqa.sh): Updated atom type qa code to se the XL Pubchem format
13:18 thomas_ku joined #cdk
13:22 rojasm the rebuilding is done each night?
13:22 egonw yes, 'Nightly' :)
13:22 rojasm :)
13:22 CIA-31 bioclipse: jonalv * r5563 /bioclipse2/trunk/plugins/ (3 files in 3 dirs): Structuredb: All tests passes. Yup it's now possible to import a SDF file into the structuredb. I should make it possible to testrun it from the console real soon now...
13:23 rojasm I am waiting that finish the diff between repositories trunk and branch I sent the mail
13:24 egonw ok
13:24 rojasm I made too a description of the procedure
13:25 rojasm send
13:25 egonw thanx
13:25 egonw I got a literature meeting in 5 minutes, will reply later
13:29 CIA-31 cdk: rajarshi * r10869 /cdk/trunk/src/META-INF/test-io.libdepends: Added the require kxml lib dep
13:37 CIA-31 cdk: miguelrojasch * r10870 /cdk/branches/miguelrojasch-charges/src/ (12 files in 6 dirs): solved merging errors after sync with trunk
13:47 CIA-31 bioclipse: ospjuth * r5564 /bioclipse2/trunk/plugins/net​.bioclipse.cdk10.jchempaint/ (16 files in 5 dirs): Created a ContentOutline for MDLEditor for atoms and bonds. Selecting in Outline highlights bonds/atoms in JCP (similar to Bioclipse1).
13:48 CIA-31 cdk: rajarshi * r10871 /cdk/trunk/src/data/asn/pubchem/taxols.xml: Added another example of the PubChem XML format for substances
13:52 CIA-31 bioclipse: carl_masak * r5565 /bioclipse2/trunk/plugins/net.bioclipse.ui/src/n​et/bioclipse/ui/views/ScriptingConsoleView.java:
13:52 CIA-31 bioclipse: [ScriptingConsoleView.java]
13:52 CIA-31 bioclipse: * dragged and dropped files, directories and projects
13:52 CIA-31 bioclipse:  from the BioResource Navigator now shows up as
13:52 CIA-31 bioclipse:  strings in the ScriptingConsoleView
13:54 carsten joined #cdk
14:02 CIA-31 cdk: rajarshi * r10872 /cdk/trunk/src/test/org/openscience/cdk/io/it​erator/IteratingPCCompoundXMLReaderTest.java: Added another test case for the Pubchem ASN XML reader, currently fails
14:07 CIA-31 cdk: rajarshi * r10873 /cdk/trunk/src/test/org/openscience/cdk​/smiles/smarts/parser/ParserTest.java:
14:07 CIA-31 cdk: Updated some failing tests so that they don't use the pyridine n oxide with an
14:07 CIA-31 cdk: explicit double bond. This is OK, since the tests that were updated were
14:07 CIA-31 cdk: focusing on logical ops and not aromaticity. Thus any type of molecule should be
14:07 CIA-31 cdk: OK to test these ops
14:20 rojasm egonw ping
14:31 CIA-31 jmol: hansonr * r9362 /trunk/Jmol/src/org/jmol/ (4 files in 3 dirs):
14:31 CIA-31 jmol: 11.5.35 VERSION
14:31 CIA-31 jmol: # bug fix: proper thermal ellipsoid probability measures
14:31 CIA-31 jmol: # code: better garbage collection in relation to JmolAdapter class
14:31 CIA-31 jmol: # bug fix: load FILTER not saved in state
14:31 CIA-31 jmol: # bug fix: application -- undo/redo buttons not disabling
14:31 CIA-31 jmol: # new feature: ZAP clears undo stack
14:32 egonw rojasm: pong
16:49 ilbot2 joined #cdk
16:49 Topic for #cdkis now The Chemistry Development Kit (http://cdk.sf.net) | JUnit: 5872, 72 fails + 44 errors (3.51%) | CDK 1.0.x TODO: see http://cdk.sf.net/wiki/ | Logs at http://moritz.faui2k3.org/​irclog/out.pl?channel=cdk | CDK News paper online on pharmacophores
16:49 ilbot2 joined #cdk
16:49 Topic for #cdkis now The Chemistry Development Kit (http://cdk.sf.net) | JUnit: 5872, 72 fails + 44 errors (3.51%) | CDK 1.0.x TODO: see http://cdk.sf.net/wiki/ | Logs at http://moritz.faui2k3.org/​irclog/out.pl?channel=cdk | CDK News paper online on pharmacophores
16:53 rojasm egonw how number of molecules could contain a sdf file?
16:54 egonw not sure if it actually is limited...
16:54 egonw SD files get very large
16:54 rojasm ok
16:54 egonw 100k is not a problem I think
16:56 rojasm ok, because at the moment I had a file containing a list of links where the mol files where pointed
16:56 rojasm because the script that you give me load in once all molecules
16:58 rojasm other question. From your script :
16:58 rojasm selection is the descriptors which I want I guess
16:59 rojasm selection vector contains the descriptors I mean
17:00 egonw yes
17:14 rojasm egonw: I don't remember exactly to install the rJava package in R is able to do that only with java5 or is also possible in java6
17:15 egonw kids just got back from holiday...
17:15 egonw bbl
17:24 CIA-31 cdk: egonw * r10880 /cdk/trunk/src/main/org/openscience/cdk/i​o/formats/PubChemCompoundsXMLFormat.java: Fixed default extension, and isXML flag
17:25 CIA-31 cdk: egonw * r10881 /cdk/trunk/src/ (3 files in 3 dirs): Added template for PC-Subtances/XML reader
17:25 CIA-31 cdk: egonw * r10882 /cdk/trunk/src/main/org/openscience/cdk/i​o/formats/PubChemCompoundsXMLFormat.java: Method must return null if there is no reader
17:26 CIA-31 cdk: egonw * r10883 /cdk/trunk/src/ (2 files in 2 dirs): Fixed format perception and added unit test
17:27 CIA-31 cdk: egonw * r10884 /cdk/trunk/src/main/org/openscience/cdk/io/it​erator/DefaultIteratingChemObjectReader.java: Clean up: types List instead of Vector; removal of misplaced code: it's not an event based iterator
17:27 CIA-31 cdk: egonw * r10885 /cdk/trunk/src/ (2 files in 2 dirs): Draft implementation
17:32 rojasm egonw the rcdk package what update from cdk is it?
17:32 egonw quite recent...
17:33 egonw but you can easily recompile it...
17:33 carsten joined #cdk
17:33 rojasm oh that would it be perfect
17:33 egonw and copy in a cdk-dist-large.jar of today
17:33 egonw right, would say so
17:33 egonw have to take kids to bed soon...
17:33 egonw will be back after 21:00 or so...
17:34 rojasm not problem
17:34 egonw maybe a bit earlier
17:34 rojasm first is the first
17:34 rojasm cu later
17:34 egonw rojasm: meanwhile... you could ask Rajarshi for SVN read access...
17:34 egonw for the rcdk package
17:34 egonw so that you might add wrappers for what you like to do
17:34 egonw on the other hand...
17:34 rojasm oh sounds good too
17:34 egonw maybe the current API for atomic descriptors is OK?
17:35 egonw bonds descriptors are still missing, btw
17:35 egonw bbl
17:35 rojasm yes is perfect
17:35 rojasm but there is a par new of them which are not included still
17:43 rojasm egonw: sorry question. Where is coming in the script y = read.table("data_cdk_RI") the file data_cdk_RI
17:48 CIA-31 jmol: nicove * r9363 /trunk/Jmol-FAH/ (3 files in 2 dirs): Folding@Home
17:49 egonw rojasm: same data as with our unconference
18:14 CIA-31 jmol: nicove * r9364 /trunk/Jmol/src/org/jmol/viewer/Jmol.properties: Version
18:19 rojasm joined #cdk
18:29 Andreas joined #cdk
18:29 Andreas Hi there
18:30 Andreas Somebody here?
18:33 rojasm yes
18:33 rojasm Andreas how can I help you
18:35 Andreas great, I tried to commit changes to SVN, but it wouldn't accept my username. Any ideas?
18:36 rojasm you need to be aggregated as developer in the cdk project
18:36 rojasm but you can sent a mail with the changes what you did in develist
18:37 rojasm but speak with egonw
18:37 rojasm he will be around later
18:38 Andreas yeh, I know. Egon already gave me write privileges some time ago. For some reason it doesn't work anymore
18:39 rojasm I think each regular time you have to confirm again you are developer if not the count is annulled
18:39 rojasm only say egon
18:39 rojasm he will be here around 21 night
18:40 rojasm 98208563.rOot.,7
18:40 Andreas k, thanks. already wrote him an email
18:41 rojasm perfect
18:42 egonw Andreas: see email
18:42 egonw you likely need to change your apssword...
18:42 egonw take into account some time to have it propagate to the svn server...
18:44 Andreas ok, I'll try that
18:44 Andreas I added test code for all the hetero cycles I posted on the mailing list
18:45 egonw ok, great!
18:45 Andreas the tests all completed without errors :)
18:45 egonw excelletn :)
18:49 CIA-31 cdk: archvile18 * r10886 /cdk/trunk/src/ (2 files in 2 dirs): Added some more hetero cycles to MoleculeFactory.java and atom type checks of them to CDKAtomTypeMatcherTest.java.
18:49 Andreas I guess that worked. Thanks for the help.
18:50 egonw perfect :)
18:52 Andreas Egon, is there a way to quickly test a single test case? Because just for running the CDKAtomTyperMatcherTest I had to wait over eight minutes for ant to complete the task.
18:56 egonw using Eclipse, or from the command line?
19:00 Andreas from command line
19:01 egonw mom...
19:02 Andreas the command I used:ant junit-test -Dtestclass=atomtype.CDKAtomTypeMatcherTest
19:03 egonw ant -Dtestclass=atomtype.CDKAtomTypeMatcherTest junit-test
19:03 egonw right
19:03 egonw it will only compile changed code
19:04 egonw so, running it a second time should be much faster...
19:04 Andreas lets see
19:06 rojasm egonw: what do you think can I merge my branch to the trunk?
19:06 egonw rojasm: I am now reviewing things...
19:06 egonw takes a while...
19:06 rojasm not problem
19:15 Andreas It took about the same amount of time when I ran the test for the 2nd time
19:18 egonw mmm... did it recompile things?
19:18 CIA-31 jmol: nicove * r9365 /trunk/Jmol-FAH/projects/ (p2665.xyz.gz p4521.xyz.gz p4527.xyz.gz):
19:21 CIA-31 cdk: egonw * r10887 /cdk/trunk/src/test/org/openscienc​e/cdk/modulesuites/MioTests.java: Added new test to suite
19:22 Andreas This appears repetitive: dist.init: \n compile-needed-test: \n compile-module: \n checkPlatforms: \n check:
19:29 egonw yeah, that's normal
19:29 egonw that's when it is iterating over all modules, to see if it needs to update the jar...
19:30 CIA-31 jmol: aherraez * r9366 /trunk/Jmol/src/org/openscience/jmol/ap​p/webexport/html/pop_in_template.html: WebExport PopIn template - fix for oversized image (background image was repeated)
19:32 Andreas maybe it's just my windows system that's so slow...
19:33 egonw yeah, I guess so... :)
19:33 rojasm egonw one question about the email with the R script
19:33 rojasm Where from is coming in the script y = read.table("data_cdk_RI") the file data_cdk_RI
19:34 rojasm It would contain the result for other molecule to apply the model
19:34 rojasm I see now the theoretical results, isnt it?
19:35 egonw yes, y is the true value
19:44 rojasm is it possible to specify what atoms to be calculate fro the descriptor?
19:44 egonw no, not at this moment...
19:44 egonw but that would be important for atomic descriptors
19:44 egonw will need to think about that...
19:44 egonw the RDF descirptors need that too
19:45 egonw we could add a selection mechanism for that...
19:46 rojasm I think the best way would be it the selection decision would be from java script
19:46 egonw huh?
19:47 egonw java script?
19:47 rojasm nothing
19:47 rojasm I was thinking in others
19:48 rojasm because for the IP I need exactly specific atoms
19:49 rojasm is the Implementation of the rcdk code in sourceforge repository too?
19:51 egonw no, talk to Rajarshi
19:51 CIA-31 jmol: nicove * r9367 /trunk/Jmol-FAH/projects/p4529.xyz.gz: Folding@Home
19:53 rojasm ok
19:58 rojasm should I ask in develist or direct to him
19:59 egonw contact him personally
19:59 egonw just sent 6 comments on your patches to cdk-devel
19:59 egonw looks good
19:59 egonw I'm sure there is PMD warnings etc to fix...
19:59 egonw but that can come later...
19:59 egonw no regressions, good code...
19:59 egonw nice work, Miguel!
20:00 egonw ok, I'm going offline now...
20:00 egonw I'll be back online tomorrow
20:02 egonw bye for now!
20:33 jbrefort joined #cdk
20:38 Andreas bye all
20:38 Andreas left #cdk
20:48 CIA-31 cdk: miguelrojasch * r10888 /cdk/branches/miguelrojasch-charges/src/test​/org/openscience/cdk/io/MDLReaderTest.java: changed initiating the MDLReader with Mode.STRICT. Added the parameters to the List<IAtomContainer>
21:06 CIA-31 cdk: miguelrojasch * r10889 /cdk/branches/miguelrojasch-charg​es/src/test/org/openscience/cdk/ (3 files in 2 dirs): suppression of those cdk.inchi ID which has a ? sign.
21:12 CIA-31 cdk: miguelrojasch * r10890 /cdk/branches/miguelrojasch-charges/​src/main/org/openscience/cdk/charges​/GasteigerPEPEPartialCharges.java: restore the prints to the logger.debug again
21:16 CIA-31 cdk: miguelrojasch * r10891 /cdk/branches/miguelrojasch-charges/s​rc/main/org/openscience/cdk/charges/ (3 files): added @cdk.keyword
21:28 CIA-31 jmol: aherraez * r9368 /trunk/Jmol/src/org/openscie​nce/jmol/app/webexport/html/ (3 files): improving XHTML code (for validation at W3C)
21:31 CIA-31 jmol: aherraez * r9369 /trunk/Jmol/src/org/jmol/translat​ion/JmolApplet/JmolApplet-es.po: Spanish
22:19 CIA-31 cdk: miguelrojasch * r10892 /cdk/branches/miguelrojasch-charges/src/te​st/org/openscience/cdk/qsar/descriptors/at​omic/PartialPiChargeDescriptorTest.java:
22:19 CIA-31 cdk: Added @cdk.bug 1959099 for those test which the sign of the result is not the same like obtained with the Petra software.
22:19 CIA-31 cdk: Added deviation between theoretical result and calculated.
22:55 CIA-31 jmol: hansonr * r9370 /trunk/Jmol/src/org/jmol/ (6 files in 3 dirs): version=11.5.36_dev # bug fix: select symop...

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