Time Nick Message 06:51 jpansanel moin 06:51 zarah hi jpansanel 06:57 egonw hi jpansanel 07:24 CIA-35 cdk: egonw * r12110 /cdk/trunk/.project: Does this create a branch on SVN? 07:38 CIA-35 cdk: egonw * r12111 /cdk/trunk/.project: No, commiting a local git branch does not results in a SVN cdk/branches branc :( 07:58 thomas_ku moin 07:58 zarah hi thomas_ku 07:58 thomas_ku egonw: around? 07:59 egonw yes 08:00 thomas_ku egonw:can I render molecules (2D) with the current trunk version? 08:06 egonw there is a prelimenary renderer 08:07 egonw thomas_ku: read: no, not on production level 08:08 thomas_ku ok any idea how I can get a rendered mol 08:09 egonw there is a renderer 08:09 egonw better that than nothing I guess 08:10 thomas_ku but I can't find example code for it 08:10 maclean I have example code, I just can't find it. moment please. 08:10 thomas_ku ok thanks 08:11 thomas_ku otherwise I think about using the "old" renderer code (than I would copy the old one into cdk-taverna until we get a fully working new one) 08:12 maclean Oh, well, I think that my example /was/ using the old renderer code. 08:12 egonw not a bad idea, but beware of the amount of woth 08:13 maclean It was in the ExportHandler for Bioclipse/JCP 08:14 maclean Ah. And I never checked it in, and I think it's now gone. I haven't woken up yet... 08:14 thomas_ku example and productive code for the old renderer I have already 08:14 thomas_ku egonw: what does woth mean? 08:15 maclean I thought that the new one was going to use the same Renderer2D idea anyway. 08:17 egonw 'woth' ? 08:18 maclean "<egonw> not a bad idea, but beware of the amount of woth" 08:19 egonw ah... 08:19 egonw 'work' 08:19 maclean "Wroth", perhaps? As in, "waxing wroth". 08:19 maclean :) 08:20 thomas_ku ah ok thanks 15:51 CIA-35 cdk: thomaskuhn * r12133 /cdk-taverna/trunk/src/test/resources/data/weka/ (5 files): Add test data for weka em and simple k means clustering 15:56 CIA-35 cdk: thomaskuhn * r12113 /cdk-taverna/trunk/src/main/java/org/openscience/cdk/applications/taverna/basicutilities/FileNameGenerator.java: Remove a doubled File.separator 15:56 CIA-35 cdk: thomaskuhn * r12114 /cdk-taverna/trunk/src/main/java/org/openscience/cdk/applications/taverna/database/pgchem/GetSelectedMoleculesFromDB.java: Add a new worker. This worker fetches molecules from a database for a given moleculeid 15:56 CIA-35 cdk: thomaskuhn * r12115 /cdk-taverna/trunk/src/main/java/org/openscience/cdk/applications/taverna/database/pgchem/InsertMoleculeIntoDB.java: Close the database connection after the usage. Forgotten that before. 15:56 CIA-35 cdk: thomaskuhn * r12116 /cdk-taverna/trunk/src/main/java/org/openscience/cdk/applications/taverna/io/iterative/IteratingReader.java: Increase the number of molecules to read per iteration from 50 to 100 15:56 CIA-35 cdk: thomaskuhn * r12118 /cdk-taverna/trunk/src/main/java/org/openscience/cdk/applications/taverna/jchempaint/action/JChemPaintEditorAction.java: Commented out this worker. The current cdk trunk does not support JChempaint. Have to wait for a new JCP release 15:57 CIA-35 cdk: thomaskuhn * r12117 /cdk-taverna/trunk/src/main/java/org/openscience/cdk/applications/taverna/jchempaint/JChemPaintEditor.java: Commented out this worker. The current cdk trunk does not support JChempaint. Have to wait for a new JCP release 15:57 CIA-35 cdk: thomaskuhn * r12119 /cdk-taverna/trunk/src/main/java/org/openscience/cdk/applications/taverna/renderers/ (3 files): Change the file name generation to avoid a problems. 15:57 CIA-35 cdk: thomaskuhn * r12120 /cdk-taverna/trunk/src/main/java/org/openscience/cdk/applications/taverna/renderers/Draw2DStructure.java: 15:57 CIA-35 cdk: Updated to the current cdk version. Many things have change a bit. Now using the 15:57 CIA-35 cdk: old renderer which is for now located within the cdk-taverna project. Because it 15:57 CIA-35 cdk: was removed from the cdk. It is now located here until the cdk provides a 15:57 CIA-35 cdk: functional molecule 2d renderer 15:57 CIA-35 cdk: thomaskuhn * r12121 /cdk-taverna/trunk/src/main/java/org/openscience/cdk/renderer/ (5 files in 2 dirs): 15:57 CIA-35 cdk: Updated to the current cdk version. Many things have change a bit. Now using the 15:57 CIA-35 cdk: old renderer which is for now located within the cdk-taverna project. Because it 15:57 CIA-35 cdk: was removed from the cdk. It is now located here until the cdk provides a 15:57 CIA-35 cdk: functional molecule 2d renderer 15:57 CIA-35 cdk: thomaskuhn * r12125 /cdk-taverna/trunk/src/test/java/org/openscience/cdk/applications/taverna/qsar/VectorGenerationTest.java: Removed a bug regarding the file creation. 15:57 CIA-35 cdk: thomaskuhn * r12123 /cdk-taverna/trunk/src/test/java/org/openscience/cdk/applications/taverna/database/pgchem/InsertQSARResultsIntoDBTest.java: Deletes the old qsar vectors within the database before inserting the new ones. add some comment 15:57 CIA-35 cdk: thomaskuhn * r12124 /cdk-taverna/trunk/src/test/java/org/openscience/cdk/applications/taverna/jchempaint/JChemPaintEditorTest.java: Commented out this worker. The current cdk trunk does not support JChempaint. Have to wait for a new JCP release 16:01 CIA-35 cdk: thomaskuhn * r12126 /cdk-taverna/trunk/src/test/java/org/openscience/cdk/applications/taverna/qsar/model/weka/EMClusterWorkerTest.java: Renamed the test methods. copy and paste error 17:23 CIA-39 cdk: thomaskuhn * r12128 /cdk-taverna/trunk/src/test/java/org/openscience/cdk/applications/taverna/renderers/PdfCreationTest.java: Add another unit test 17:29 CIA-39 cdk: thomaskuhn * r12130 /cdk-taverna/trunk/src/main/java/org/openscience/cdk/applications/taverna/qsar/model/ART2AClassificator/action/: