Camelia, the Perl 6 bug

IRC log for #cdk, 2008-05-01

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All times shown according to UTC.

Time Nick Message
00:38 rojasm left #cdk
00:39 CIA-30 cdk: miguelrojasch * r10742 /cdk/branches/miguelrojasch-charges/src/ (21 files in 7 dirs): Applied the concept that one descriptor must not depend o other descriptors according the bug 186097. Still remain the problem for IP calculations.
01:11 jpansanel joined #cdk
05:37 egonw joined #cdk
06:51 jbrefort joined #cdk
07:25 rojasm joined #cdk
07:26 rojasm joined #cdk
07:26 rojasm moin
07:26 egonw I got atomic descriptor calculation implemented in rcdk
07:27 * egonw is about to go offline...
07:27 rojasm oh great
07:27 egonw we'll go to the science museum in Amsterdam today
07:28 egonw will email you an updated package and example code
07:28 rojasm perfect thanks
07:31 egonw email being send
07:31 egonw large email
07:31 egonw I hope your leiden email allows >10MB
07:32 rojasm ups
07:32 rojasm I have no idea
07:36 egonw Delivery to the following recipient failed permanently:
07:36 egonw so, no
07:43 egonw rojasm: is there an alternative?
07:43 * egonw has to do some shopping now...
07:43 egonw bbl
07:47 CIA-30 cdk: miguelrojasch * r10743 /cdk/branches/miguelrojasch-charges/src/main​/org/openscience/cdk/qsar/descriptors/bond/ (4 files): added @TestClass(value= path)
07:47 carsten joined #cdk
07:59 rojasm egonw
07:59 rojasm yes
07:59 rojasm the same like yahoo
07:59 rojasm but finish with gmail
08:01 rojasm I sent a mail back
08:05 rojasm egonw send it
08:07 egonw ok, forwarded to that account
08:07 egonw please confirm reception
08:08 rojasm received
08:08 rojasm :)
08:08 egonw ok, good :)
08:08 egonw will go offline now, then
08:08 egonw will be online tonite
08:09 egonw bye
08:09 rojasm cu
08:23 edrin joined #cdk
09:01 CIA-30 cdk: miguelrojasch * r10744 /cdk/branches/miguelrojasch-charges/src/ (2 files in 2 dirs): Applied the concept that one descriptor must not depend o other descriptors according the bug 186097
10:46 CIA-30 cdk: miguelrojasch * r10745 /cdk/branches/miguelrojasch-charg​es/src/main/org/openscience/cdk/ (4 files in 3 dirs): create a new class to handle electronegativity algorithm. Set in charge.module. It is used now from some BondSigmaElectronegativityD, SigmaElectronegativityD and PiElectronegativityD
11:43 edrin joined #cdk
11:46 CIA-30 jmol: hansonr * r9344 /trunk/Jmol/src/org/jmol/ (7 files in 5 dirs):
11:46 CIA-30 jmol: version=11.5.33_dev ellipsoids/biomolecule
11:46 CIA-30 jmol: # bug fix: ellipsoids for navigation mode and perspective depth
11:46 CIA-30 jmol: # bug fix: PDB biomolecule for many-BIOMT system
12:54 rojasm joined #cdk
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15:00 CIA-30 cdk: miguelrojasch * r10746 /cdk/branches/miguelrojasch-charges/src/​main/org/openscience/cdk/reaction/mechan​ism/RearrangementChargeMechanism.java: The mechanism is able now to break single bonds too
15:13 CIA-30 jmol: hansonr * r9345 /trunk/Jmol/src/org/jmol/ (5 files in 3 dirs):
15:13 CIA-30 jmol: version=11.5.33_dev load FILTER
15:13 CIA-30 jmol: # new feature: load [file info] FILTER "BIOMOLECULE n;NOSYMMETRY"
15:13 CIA-30 jmol: # FILTER "BIOMOLECULE 1" by default now reads the symmetry;
15:13 CIA-30 jmol: # use load FILTER "BIOMOLECULE 1;NOSYMMETRY" to not read symmetry
15:14 CIA-30 jmol: #
15:53 CIA-30 jmol: hansonr * r9346 /trunk/Jmol/src/org/jmol/ (4 files in 3 dirs): (log message trimmed)
15:53 CIA-30 jmol: version=11.5.33_dev load FILTER
15:53 CIA-30 jmol: # new feature: more load FILTER options:
15:53 CIA-30 jmol: #
15:53 CIA-30 jmol: # [XXX] a specific group ID
15:53 CIA-30 jmol: # ![XXX] not a specific group ID (e.g. ![HOH])
15:53 CIA-30 jmol: # *.XX an atom name, such as .CA
16:00 CIA-30 cdk: miguelrojasch * r10747 /cdk/branches/miguelrojasch-charges/src/ (3 files in 2 dirs): adjusted the hyperconjugationReaction to RearrangementChargeMechanishm
16:02 rojasm joined #cdk
16:06 CIA-30 jmol: hansonr * r9347 /trunk/Jmol/src/org/jmol/adapter/sm​arter/AtomSetCollectionReader.java: (log message trimmed)
16:06 CIA-30 jmol: version=11.5.33_dev
16:06 CIA-30 jmol: # new feature: more load FILTER options:
16:06 CIA-30 jmol: #
16:06 CIA-30 jmol: # [XXX] a specific group ID
16:06 CIA-30 jmol: # ![XXX] not a specific group ID (e.g. ![HOH])
16:06 CIA-30 jmol: # *.XX an atom name, such as .CA
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18:03 CIA-30 jmol: hansonr * r9348 /trunk/Jmol/src/org/jmol/ (4 files in 4 dirs): (log message trimmed)
18:03 CIA-30 jmol: version=11.5.33
18:03 CIA-30 jmol: # bug fix: modelLoader was assigning too much array space for chains
18:03 CIA-30 jmol: # new feature: more load FILTER options:
18:03 CIA-30 jmol: #
18:03 CIA-30 jmol: # #i a specific BIOMT transformation
18:03 CIA-30 jmol: # !#i not a specific BIOMT transformation
18:05 CIA-30 jmol: hansonr * r9349 /trunk/Jmol/src/org/jmol/viewer/Jmol.properties: version=11.5.33 VERSION
18:05 CIA-30 jmol: hansonr * r9350 /branches/v11_4/Jmol/src/org/jmol/ (modelset/ModelCollection.java viewer/Jmol.properties):
18:05 CIA-30 jmol: version=11.4.3_dev
18:05 CIA-30 jmol: # bug fix: modelLoader was assigning too much array space for chains
18:08 CIA-30 jmol: nicove * r9351 /trunk/Jmol/src/org/jmol/translation/JmolApplet/ (JmolApplet-ca.po JmolApplet-fr.po): Update of .po files
18:09 CIA-30 jmol: nicove * r9352 /trunk/Jmol-web/ (3 files in 2 dirs): Folding@Home
18:17 edrin joined #cdk
18:23 CIA-30 jmol: nicove * r9353 /trunk/Jmol/src/org/jmol/viewer/Jmol.properties: Version
19:30 CIA-30 jmol: nicove * r9354 /trunk/Jmol/src/org/jmol/tr​anslation/Jmol/Jmol-ko.po:
20:33 CIA-30 cdk: miguelrojasch * r10748 /cdk/branches/miguelrojasch-charges/src/ (10 files in 6 dirs):
20:33 CIA-30 cdk: new algorithm to calculate the delocalization of the charge for a specific atom.
20:33 CIA-30 cdk: Created a descriptor to handle this algorithm and this new descriptor
20:33 CIA-30 cdk: substitutes the ResonancePositiveChargeDescritpor which has been eliminated.
20:49 CIA-30 cdk: miguelrojasch * r10749 /cdk/branches/miguelrojasch-charges/src/test​/org/openscience/cdk/qsar/descriptors/atomic​/StabilizationPlusChargeDescriptorTest.java: forgot some import
21:07 CIA-30 cdk: miguelrojasch * r10750 /cdk/branches/miguelrojasch-CMLReact/src/test/org/​openscience/cdk/reaction/ReactionEngineTest.java: added method testReactionEngine to make happy the Testsuite controller
21:37 CIA-30 cdk: miguelrojasch * r10751 /cdk/branches/miguelrojasch-charges/src/mai​n/org/openscience/cdk/qsar/descriptors/atom​ic/StabilizationPlusChargeDescriptor.java: false module labelled
21:55 CIA-30 cdk: miguelrojasch * r10752 /cdk/branches/miguelrojasch-charges/src/META-INF/ (charges.cdkdepends charges.libdepends): added dependencies with charge module
22:22 CIA-30 cdk: miguelrojasch * r10753 /cdk/branches/miguelrojasch-CMLReact/src/test​/org/openscience/cdk/qsar/descriptors/atomic/ (2 files): back to revision 10441
22:37 CIA-30 cdk: miguelrojasch * r10754 /cdk/branches/miguelrojasch-CMLReact/src/test​/org/openscience/cdk/ReactionSchemeTest.java: error spelling
23:18 CIA-30 jmol: hansonr * r9355 /trunk/Jmol/src/org/jmol/ (2 files in 2 dirs):
23:18 CIA-30 jmol: version=11.5.34_dev
23:18 CIA-30 jmol: # bug fix: biomolecule really works this time!
23:19 CIA-30 jmol: hansonr * r9356 /trunk/Jmol/src/org/jmol/viewer/Jmol.properties: version=11.5.34 VERSION -- # bug fix: biomolecule really works this time!
23:20 CIA-30 cdk: miguelrojasch * r10755 /cdk/branches/miguelrojasch-charges/src/ (2 files in 2 dirs): added test which was missed
23:49 CIA-30 cdk: miguelrojasch * r10756 /cdk/branches/miguelrojasch-charges/src/ (2 files in 2 dirs): added new test necessaries for TestCase method
23:59 rojasm left #cdk

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