Camelia, the Perl 6 bug

IRC log for #cdk, 2008-02-12

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All times shown according to UTC.

Time Nick Message
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08:28 jpansanel moin
08:28 jpansanel carsten : your patch is merged
08:28 carsten Read your mail.
08:28 carsten that is good
08:28 carsten I have some more cahnges
08:28 carsten changes
08:29 jpansanel ok
08:30 carsten foreach(const QStringList &s, cmdArgList) {
08:30 carsten =======
08:30 carsten foreach(const QStringList s, cmdArgList) {
08:30 carsten you forgot that one it seems!
08:31 jpansanel oh yes
08:32 jpansanel line 257 ?
08:32 carsten 288 here
08:32 jpansanel after the kmesagebox::yes ?
08:32 carsten case KMessageBox::Yes:
08:33 jpansanel foreach(const QStringList s, cmdArgList) {
08:33 carsten yes
08:33 jpansanel I need to replace it by                 foreach(const QStringList s, cmdArgList) {
08:33 jpansanel I need to replace it by                 foreach(const QStringList &s, cmdArgList) {
08:34 carsten yes, just the & is missing
08:34 jpansanel ok
08:35 jpansanel fixed
08:37 jpansanel the compilation works fine
08:38 carsten void KOpenBabel::slotAddFile()
08:39 carsten ok, could you go into that slot, please?
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08:39 carsten and then add the two bigger comments you find in this paste? http://pastebin.com/m6047a17f
08:39 jpansanel yes
08:40 carsten that would reduce the diff further. As you can see the whole slot is pretty different. I am not sure if your or my version is better, but I am rather sure that I did these changes for a good reason. I just can't remember which reason that was :_)
08:40 carsten I am very sure that I had issues with this line: tmpList.replaceInStrings( QRegExp("/"), "\\/" ); //escape all '/' (because of MimeTypes)
08:40 carsten Took me a while to figure it out
08:42 * carsten thinks that his slot is the better slot
08:43 carsten so perhaps it should replace your slot completly
08:48 jpansanel carsten : the both version are not so different
08:48 jpansanel I'm not using a copy of InputType
08:49 jpansanel and KUrl::List fl is a bit different
08:49 jpansanel the QRegExp are the same
08:53 carsten jpansanel: right, that is why I asked you to add my two comment. That reduces the diff alot
08:53 carsten jpansanel: right, that is why I asked you to add my two comment. That reduces the diff a lot
08:53 jpansanel ok
08:53 carsten and it is easier for me to see the important part :-)
08:55 jpansanel carsten : I've reformatted your comments :
08:55 jpansanel they are pretty long
08:56 jpansanel // InputType is now something like this:
08:56 jpansanel // "acr -- ACR format [Read-only]",
08:56 jpansanel // "alc -- Alchemy format",
08:56 jpansanel // "arc -- Accelrys/MSI Biosym/Insight II CAR format [Read-only]"
08:56 jpansanel // ...
08:56 carsten jpansanel: do you read the Avogadro list?
08:56 jpansanel I'll check
08:56 jpansanel may be
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09:03 jpansanel carsten : discuss or devel ?
09:03 carsten devel
09:03 jpansanel no
09:03 carsten Geoff asked about KDE inside Avo
09:03 carsten I think KOpenBabel could be part of Avo
09:07 jpansanel ok
09:07 jpansanel I'll subscribe to the devel list within the next few minutes
09:09 carsten jpansanel: I fwd'ed the whole tread to you
09:13 CIA-18 cdk: miguelrojasch * r10062 /branches/miguelrojasch/react​ion/src/org/openscience/cdk/ (9 files in 5 dirs): added new class which makes the function of reaction mechanism. All IReactionProcess must be produced from a IReactionMechanism. That can help for not repeat code. Only added for electronImpact reactions.
09:14 jpansanel carsten : ok thx
09:16 carsten jpansanel: already running KDE4?
09:16 jpansanel only in test
09:20 carsten same here
09:20 * carsten will move when 4.1.1 is out
09:20 carsten 4.0.1 has way to many issues
09:43 jpansanel ok
09:44 jpansanel carsten : I've suscribed to Avogadro ML
09:44 carsten nice. The list is pretty low traffic
10:07 CIA-18 cdk: miguelrojasch * r10063 /branches/miguelrojasch/react​ion/src/org/openscience/cdk/ (10 files in 3 dirs): added new mechanism which group BreakingBondReaction and CarbonylEleminationReaction.
10:30 CIA-18 cdk: miguelrojasch * r10064 /branches/miguelrojasch/reaction/​src/org/openscience/cdk/reaction/ (3 files in 2 dirs): added new mechanism CleavageBondMechanism.
11:10 CIA-18 cdk: miguelrojasch * r10065 /branches/miguelrojasch/react​ion/src/org/openscience/cdk/ (3 files in 2 dirs): emerged the DisplacementChargeFromAcceptorReaction into BreakingBondMechanism.
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13:02 CIA-18 cdk: egonw * r10066 /trunk/cdk/src/org/openscience/cdk​/atomtype/CDKAtomTypeMatcher.java: Fixed AT perception when hybrid info was set for S.minus (S.plus perception code was not precise enough) and N.planar3 (N.sp2 perception was not precise enough)
13:19 masak joined #cdk
14:09 jpansanel egonw : what's the best spelling for CDK : US or UK N
14:09 jpansanel ?
14:44 CIA-18 cdk: miguelrojasch * r10067 /branches/miguelrojasch/react​ion/src/org/openscience/cdk/ (5 files in 3 dirs): added new mechanism RadicalSiteRearrangamentMechanism. Emerged into RSRMechanism the two HydrogenRearrangement..Reaction
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16:01 CIA-18 cdk: drzz * r10070 /trunk/cdk/src/org/openscience​/cdk/libio/cml/Convertor.java: added a cmlMoleculetocdkAtomContainer method
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17:16 CIA-18 cdk: miguelrojasch * r10071 /branches/miguelrojasch/reaction/src/​org/openscience/cdk/reaction/mechanis​m/RearrengementCharge2Mechanism.java: added new mechanism: charge resonance.
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19:06 CIA-18 cdk: miguelrojasch * r10072 /branches/miguelrojasch/react​ion/src/org/openscience/cdk/ (6 files in 2 dirs): emerged Rearrangement*2Reaction to the RearrangmentCharge2Mechanism
20:01 CIA-18 cdk: miguelrojasch * r10073 /branches/miguelrojasch/react​ion/src/org/openscience/cdk/ (8 files in 3 dirs): new Mechanism: SharingCharge. Emerged the reaction Rearrangement3*Reaction into
20:02 CIA-18 cdk: miguelrojasch * r10074 /branches/miguelrojasch/reaction/sr​c/org/openscience/cdk/reaction/mech​anism/SharingChargeMechanism.java: removed forgotten prints
20:08 CIA-18 jmol: nicove * r8990 /trunk/Jmol-FAH/projects/ (p3430.xyz.gz p3431.xyz.gz): Folding@Home
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20:39 egonw hi jpansanel
20:39 egonw jpansanel: please keep patches as simple as possible
20:39 egonw one patch for the spelling, one for X, etc
20:39 jpansanel ok
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20:58 CIA-18 cdk: egonw * r10075 /trunk/cdk/src/org/openscience/cdk/tes​t/atomtype/AbstractAtomTypeTest.java: Report on the atom index; don't report an error when we don't know what they error is yet
21:00 CIA-18 cdk: egonw * r10076 /trunk/cdk/src/org/openscience/cdk/test​/atomtype/CDKAtomTypeMatcherTest.java: Fixed typo in commit 10051 for testAdenine where I accidentally changed N.sp3 into N.sp2; misbonding in ferrocene; typo in sulphur atom type
21:01 CIA-18 cdk: egonw * r10077 /trunk/cdk/src/org/openscience/cdk​/atomtype/CDKAtomTypeMatcher.java: Fixed atom type detection for N.planar3; cleaned up code in C atom type perception by reusing the bothNeighborsAreSp2() method
21:04 egonw rojasm: around?
21:04 rojasm yes
21:06 rojasm yes: egonw!
21:06 egonw ha, good
21:06 egonw I fixed the atom typing problems caused by having hybridization state set...
21:06 rojasm oh, perfect, thanks
21:06 egonw so, will continue later this week with your atom type bug reports...
21:07 rojasm thanks! I will finish before this weekend
21:07 egonw please let me know for each of them, which unit test I should run to verify/debug it
21:07 rojasm But I would like to have some ontology for reactions
21:07 egonw I haven't looked at your reaction mechanism stuff yet...
21:07 egonw will do so next week
21:07 egonw maybe end of this week
21:08 rojasm not problem
21:08 rojasm thanks
21:08 egonw but please add unit tests to each of those atom type bug reports...
21:09 egonw that will make it easier for me to fix things
21:09 rojasm yes I will do it
21:09 egonw thanz
21:09 egonw s/z/x/
21:11 egonw ok, time to go to bed...
21:11 egonw bye
21:11 rojasm cu
22:21 CIA-18 cdk: miguelrojasch * r10078 /branches/miguelrojasch/react​ion/src/org/openscience/cdk/ (5 files in 3 dirs): new Mechanism: SharingElectron. Emerged the reaction Rearrangement1*Reaction into
23:14 CIA-18 cdk: miguelrojasch * r10079 /branches/miguelrojasch/reaction/src/org/openscien​ce/cdk/test/atomtype/ReactionStructuresTest.java: added new test which fails: Hydrogen radical
23:44 CIA-18 cdk: miguelrojasch * r10080 /branches/miguelrojasch/react​ion/src/org/openscience/cdk/ (5 files in 3 dirs): new Mechanism: RadicalIonizationMechanism. Emerged the reaction RadicalSite*Reaction into
23:46 CIA-18 cdk: miguelrojasch * r10081 /branches/miguelrojasch/reaction/​src/org/openscience/cdk/reaction/ (9 files in 2 dirs): some cleaning staff
23:48 rojasm left #cdk

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