Camelia, the Perl 6 bug

IRC log for #cdk, 2008-06-02

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All times shown according to UTC.

Time Nick Message
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08:28 thomas_ku moin
08:48 CIA-31 cdk: egonw * r11250 /cdk/trunk/src/ (6 files in 3 dirs): More diff methods
08:49 CIA-31 cdk: egonw * r11251 /cdk/trunk/src/test/org/openscience​/cdk/io/cml/cml23TestFramework.xml: Added mass number CML example
08:55 CIA-31 cdk: ospjuth * r11252 /cdk/trunk/src/test/org/openscience​/cdk/io/cml/CMLRoundTripTest.java: Added CML roundtriptest for MassNumber.
08:56 egonw ok, I think the code in the Convertor should look like:
08:56 egonw Integer massNumber = cdkAtom.getMassNumber();
08:56 egonw if (!(cdkAtom instanceof IPseudoAtom)) {
08:56 egonw if (massNumber != null) {
08:56 egonw cmlAtom.setIsotopeNumber(massNumber);
08:56 egonw }
08:56 egonw }
08:56 egonw line 631 ff
08:56 egonw will commit this
08:57 CIA-31 cdk: egonw * r11253 /cdk/trunk/src/main/org/openscien​ce/cdk/libio/cml/Convertor.java: Always output the mass number, if not null
08:58 jbrefort joined #cdk
08:59 CIA-31 cdk: ospjuth * r11254 /cdk/trunk/src/test/org/openscience/cdk/io/cml/ (CML23FragmentsTest.java CML2WriterTest.java): Added tests for MassNumber CML persistence and parsing.
09:00 olas joined #cdk
09:02 CIA-31 cdk: egonw * r11255 /cdk/trunk/src/main/org/openscien​ce/cdk/io/cml/CMLCoreModule.java: Synchronized with the writer
09:08 CIA-31 cdk: ospjuth * r11256 /cdk/trunk/src/test/org/openscienc​e/cdk/io/cml/CML2WriterTest.java: Spelling mistake, causing test to fail fixed. testMassNumber now passes.
09:08 olas ok, passes now
09:11 egonw what about testMAssNumber?
09:12 egonw that's not a spelling mistake ? :)
09:12 olas haha
09:12 olas will correct it
09:13 CIA-31 cdk: ospjuth * r11257 /cdk/trunk/src/test/org/openscience​/cdk/io/cml/CMLRoundTripTest.java: Spelling mistake in test name corrected.
09:21 malick left #cdk
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09:50 CIA-31 cdk: ospjuth * r11258 /cdk/branches/cdk-1.0.x/src/org/opens​cience/cdk/libio/cml/Convertor.java: Applied fix from CDK trunk solving MassNumber persistence in CML.
09:55 CIA-31 cdk: ospjuth * r11259 /cdk/branches/cdk-1.0.x/src/org/opens​cience/cdk/libio/cml/Convertor.java: Set MassNumber if >0, as 0 means unset.
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15:49 shk3 joined #cdk
15:49 shk3 hi all
15:49 shk3 greetings from Cambridge
15:50 thomas_ku hi shk3
15:50 shk3 hi thomas
15:50 thomas_ku so you start working at the ebi?
15:50 shk3 indeed
15:51 shk3 hope to get closer involved to cdk and bioclipse soon
15:51 shk3 will have time again for that, I hope
15:52 shk3 how is your dissertation progressing?
15:59 thomas_ku mom got a call
16:06 thomas_ku so far so good but it is not much time left hand there is still planty to do
16:08 shk3 there's always plenty to do...
16:11 thomas_ku yeh thats true
16:15 CIA-31 jmol: hansonr * r9446 /trunk/Jmol/src/org/jmol/ (shape/Text.java viewer/Jmol.properties): version=11.5.39_dev # bug fix: 3D echo text not centering properly with set ECHO myEcho CENTER
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22:06 CIA-31 jmol: hansonr * r9447 /trunk/Jmol/src/org/jmol/ (modelsetbio/BioPolymer.java viewer/Jmol.properties): version=11.5.39_dev # bug fix: quaternion derivative multiplication order
22:42 CIA-31 cdk: thomaskuhn * r11260 /cdk-taverna/trunk/src/main/java/org/op​enscience/cdk/applications/taverna/data​base/pgchem/GetQSARVectorFromDB.java: Removed a bug regarding empty lines within the vector and set the columns which contains double.NaN to the unusable columns

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