| Time |
S |
Nick |
Message |
| 01:23 |
|
CIA-1 |
jmol: gutow * r8130 /branches/gutow-webmaker/ (15 files in 3 dirs): (log message trimmed) |
| 01:23 |
|
CIA-1 |
jmol: All fixes to webexport: |
| 01:23 |
|
CIA-1 |
jmol: fixes to ScriptButton and PopIn templates to make them consistent. |
| 01:23 |
|
CIA-1 |
jmol: fixed panel element widths. |
| 01:23 |
|
CIA-1 |
jmol: fixed code so that % spinner shows up for ScriptButton tab and height and width spinners show up for the PopIn tab. |
| 01:23 |
|
CIA-1 |
jmol: changed time-stamp function to generate a stamp more appropriate to generation by a function within Jmol. |
| 01:23 |
|
CIA-1 |
jmol: fixed errors leading to failure to create javascript only pages. |
| 06:10 |
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| 06:44 |
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| 06:45 |
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rojasm |
Moin |
| 06:45 |
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| 06:45 |
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| 07:42 |
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| 07:44 |
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| 07:55 |
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| 07:57 |
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| 07:58 |
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| 07:59 |
|
thomas_ku |
moin |
| 08:01 |
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egonw joined #cdk |
| 08:01 |
|
egonw |
moin |
| 08:05 |
|
thomas_ku |
moin egonw |
| 08:05 |
|
thomas_ku |
Egonw: |
| 08:05 |
|
egonw |
hi thomas_ku |
| 08:05 |
|
egonw |
yes, we need to chat |
| 08:05 |
|
thomas_ku |
If I want to revert a cvs commit how do I do this |
| 08:05 |
|
egonw |
ah... don't think you can... |
| 08:06 |
|
egonw |
but you can commit the reverse patch |
| 08:06 |
|
egonw |
which is effectively the same |
| 08:06 |
|
thomas_ku |
no it is for another projekt |
| 08:06 |
|
thomas_ku |
so there is no reverse posibility? |
| 08:06 |
|
egonw |
you should get the 'cvs diff -u' of the commit(s) you want to revert |
| 08:06 |
|
egonw |
apply that with 'patch' |
| 08:07 |
|
egonw |
and than commit again |
| 08:07 |
|
thomas_ku |
ok so there is no easy way to do this! right? |
| 08:08 |
|
egonw |
no |
| 08:08 |
|
egonw |
it involves some manual work |
| 08:09 |
|
thomas_ku |
ok thanks |
| 08:10 |
|
thomas_ku |
I thought that this was possible easyly! |
| 08:11 |
|
egonw |
well, you could 'merge' that merge directly... |
| 08:12 |
|
thomas_ku |
I thought there of something linke undo And I thought that this kind of functionality is in such a version control system |
| 08:12 |
|
thomas_ku |
linke = like |
| 08:13 |
|
egonw |
no, sorry... |
| 08:13 |
|
egonw |
not in svn or cvs |
| 08:13 |
|
egonw |
a few other vcs's do have it, though |
| 08:13 |
|
thomas_ku |
ok but it would be a cool feature |
| 08:13 |
|
thomas_ku |
sourcesafe for example as far as I know |
| 08:16 |
|
thomas_ku |
egonw is there something you want to chat with me? |
| 08:18 |
|
egonw |
yes, I plan to make some CDK based webservices, mass spectroscopy oriented; interested? |
| 08:18 |
|
thomas_ku |
yes of course |
| 08:19 |
|
thomas_ku |
But I fear that I will have not much time to contribute stuff |
| 08:19 |
|
egonw |
ok, good |
| 08:19 |
|
egonw |
no worry... |
| 08:19 |
|
egonw |
I will likely try them with Taverna, so might ask you to give it a go for some feedback at some point... |
| 08:20 |
|
thomas_ku |
no prob |
| 08:21 |
|
thomas_ku |
will be back in 20 min have to go to the bakery to get some bread because it is not raining currently |
| 08:32 |
|
CIA-1 |
bioclipse: jonalv * r3711 /trunk/plugins/net.bioclipse.statistics/src/net/bioclipse/editors/GridEditor.java: The hack for the index related bugg in Grid was needed on more places |
| 08:38 |
|
thomas_ku |
egonw:what will the webservice do exactly? |
| 08:38 |
|
egonw |
accurate mass to a list of molecular formula |
| 08:38 |
|
egonw |
calculate accurate mass |
| 08:38 |
|
egonw |
isotopic pattern calculation |
| 08:39 |
|
egonw |
those three to start with... |
| 08:39 |
|
thomas_ku |
ok great |
| 08:39 |
|
thomas_ku |
will open these webservice to the public? |
| 08:40 |
|
egonw |
not sure |
| 08:40 |
|
egonw |
the source, of course |
| 08:41 |
|
thomas_ku |
it is a question of hosting the webservice? |
| 08:42 |
|
egonw |
yes |
| 08:43 |
|
egonw |
but it could be deployed anywhere... |
| 08:43 |
|
egonw |
and some redundancy would be good anyway... |
| 08:44 |
|
thomas_ku |
yes of course, but this is everytime the problem if you have webservice which properly will need a lot of cpu resources... |
| 08:47 |
|
egonw |
these three should be fairly cheap |
| 09:11 |
|
CIA-1 |
blueobelisk: egonw * r91 /operator/ (11 files in 5 dirs): Placed my GPL3 Operator scripts online |
| 09:12 |
|
CIA-1 |
blueobelisk: egonw * r92 /operator/tags/: Added missing tags/ dir |
| 09:13 |
|
CIA-1 |
blueobelisk: egonw * r93 /operator/ (branches/1.0/ branches/1.1/ tags/1.0/ tags/1.1/): Moved to correct dir |
| 10:04 |
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| 10:41 |
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| 11:11 |
|
CIA-1 |
cdk: thomaskuhn * r8697 /trunk/cdk/src/org/openscience/cdk/isomorphism/matchers/QueryAtomContainerCreator.java: Add a method to the query atom container creator which creates an queryatomcontainer. This replaces each pseudoatom to an anyatom. |
| 11:29 |
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carsten joined #cdk |
| 11:29 |
|
egonw |
http://neksa.blogspot.com/2007[…]file-support.html |
| 11:29 |
|
lambdabot2 |
Title: Chemistry and Biology support, KDE/Strigi GSoC project: MDL SD file support |
| 11:30 |
|
egonw |
carsten: alexandrs first result blog with screenshots :) |
| 11:33 |
|
carsten |
Moin folks |
| 11:33 |
|
egonw |
hi :) |
| 11:38 |
|
carsten |
nice blog, nice technologie |
| 11:40 |
|
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neksa joined #cdk |
| 11:40 |
|
egonw |
hi neksa |
| 11:41 |
|
egonw |
http://kemistry-desktop.blogsp[…]ening-single.html |
| 11:41 |
|
lambdabot2 |
Title: kemistry desktop environment: MDL SD files as folders: opening a single molfile, http://tinyurl.com/3bvlyj |
| 11:42 |
|
neksa |
hi egonw |
| 11:43 |
|
neksa |
egonw: there is one more post about PNG |
| 11:44 |
|
egonw |
yes, reading it now |
| 11:45 |
|
neksa |
I made SD post as a tutorial, because it's not that easy to get the idea of how it all works once you want to write your own stream provider and/or analyzer |
| 12:35 |
|
egonw |
carsten: btw, OSRA is now on SourceForge... so, if you feel like a bit of cmake magic... |
| 12:35 |
|
egonw |
or otherwise daniel might beat you to it with some autotools magic |
| 12:36 |
|
carsten |
yeah, autotools are great for this, that make platform indepent hacking so easy. I let him do the autohell dance :) |
| 12:44 |
|
jpansanel |
moin |
| 13:04 |
|
CIA-1 |
cdk: fichte01 * r500 /trunk/protonprediction/Data/ (8 files in 2 dirs): |
| 13:24 |
|
CIA-1 |
jmol: nicove * r8131 /trunk/Jmol-FAH/projects/p3731.xyz.gz: Folding Home |
| 13:26 |
|
CIA-1 |
blueobelisk: pansanel * r94 /structures/trunk/tools/ (cmlhandler.py cmlwriter.py): Handle new identifier tag |
| 13:31 |
|
jpansanel |
egonw : how would you translate 'Monoisotopic weight' in Dutch ? |
| 13:32 |
|
egonw |
no idea |
| 13:32 |
|
egonw |
we talk too much in ENglish here |
| 13:32 |
|
jpansanel |
:) |
| 13:56 |
|
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| 13:57 |
|
CIA-1 |
cdk: mario_baseda * r8698 /trunk/cdk-taverna/src/main/java/org/openscience/cdk/applications/taverna/qsar/model/weka/action/ (10 files): Add some comment |
| 14:01 |
|
CIA-1 |
cdk: egonw * r8699 /trunk/cdk/src/data/mdl/shortest_path_test.mol: Added test file by Volker (see cdk-user) for the shortest path problem |
| 14:18 |
|
CIA-1 |
cdk: egonw * r8700 /trunk/cdk/src/org/openscience/cdk/test/graph/PathToolsTest.java: JUnit test provided by Volker Haehnke (haehnke - bioinformatik uni-frankfurt de), somewhat rewritten. |
| 15:37 |
|
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| 16:06 |
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egonw joined #cdk |
| 16:44 |
|
CIA-1 |
jmol: nicove * r8132 /trunk/Jmol-FAH/projects/p3695.xyz.gz: FoldingHome |
| 16:55 |
|
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neksa joined #cdk |
| 17:02 |
|
CIA-1 |
cdk: steinbeck * r8701 /trunk/cdk/src/org/openscience/cdk/graph/PathTools.java: Renamed a variable to comply with http://en.wikipedia.org/wiki/Dijkstra's_algorithm |
| 17:02 |
|
lambdabot2 |
Title: Dijkstra's algorithm - Wikipedia, the free encyclopedia |
| 17:03 |
|
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steinbeck joined #cdk |
| 17:03 |
|
steinbeck |
H folks |
| 17:03 |
|
steinbeck |
h==Hi |
| 17:05 |
|
egonw |
hi steinbeck |
| 17:05 |
|
* egonw |
is not really here... |
| 17:09 |
|
steinbeck |
Hi egonw |
| 17:09 |
|
steinbeck |
did my commit show up here? |
| 17:10 |
|
steinbeck |
thought you could see it. Was just a min ago or so |
| 17:24 |
|
egonw |
yes it was |
| 17:24 |
|
steinbeck |
thanks |
| 17:24 |
|
egonw |
[2007-08-22 19:02:34] <CIA-1> cdk: steinbeck * r8701 /trunk/cdk/src/org/openscience/cdk/graph/PathTools.java: Renamed a variable to comply with http://en.wikipedia.org/wiki/Dijkstra's_algorithm |
| 17:24 |
|
egonw |
[2007-08-22 19:02:35] <lambdabot2> Title: Dijkstra's algorithm - Wikipedia, the free encyclopedia |
| 17:24 |
|
lambdabot2 |
Title: Dijkstra's algorithm - Wikipedia, the free encyclopedia |
| 17:30 |
|
steinbeck |
thanks |
| 17:32 |
|
egonw |
steinbeck: how was the BO meeting/dinner ? |
| 17:33 |
|
steinbeck |
will be in 5 hours :-) |
| 17:33 |
|
egonw |
oh... I thought Tue |
| 17:35 |
|
egonw |
btw: http://neksa.blogspot.com/ |
| 17:35 |
|
lambdabot2 |
Title: Chemistry and Biology support, KDE/Strigi GSoC project |
| 17:36 |
|
egonw |
latest two blogs are very cool |
| 17:46 |
|
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jbrefort joined #cdk |
| 17:46 |
|
steinbeck |
That looks extremely cool indeed!!! |
| 18:01 |
|
CIA-1 |
cdk: egonw * r501 /trunk/schematron/ (33 files in 3 dirs): Added Schematron-based NMRShiftDB convention, as used in the CMLSpect article |
| 18:15 |
|
neksa |
steinbeck: thanks for your chemistry classes in CUBIC :) |
| 18:18 |
|
* egonw |
is going to relocate to hist laptop again |
| 18:18 |
|
egonw |
brb |
| 18:24 |
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| 18:26 |
|
steinbeck |
neksa: welcome :-) |
| 19:16 |
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| 19:39 |
|
CIA-1 |
cdk: shk3 * r502 /trunk/protonprediction/Data/input/dataX.txt: new dataX |
| 19:44 |
|
neksa |
egonw: why do you think there should not be SMILES in Strigi-chemical? obsolete? |
| 19:44 |
|
egonw |
neksa: was actually away... watching Bones.. |
| 19:45 |
|
egonw |
but it's a break now :( |
| 19:45 |
|
egonw |
s/:(/:)/ |
| 19:45 |
|
egonw |
SMILES is not unique... |
| 19:45 |
|
neksa |
nice regexp |
| 19:45 |
|
egonw |
a SMILES can start with any of the atoms inthe molecules... |
| 19:45 |
|
egonw |
and the arbitrarily pick the next neighbor |
| 19:46 |
|
egonw |
so some N^2 possibilities at least or so |
| 19:46 |
|
egonw |
regexp or anything like that will never work |
| 19:46 |
|
egonw |
that's why we use finger prints |
| 19:47 |
|
egonw |
OK, back to TV |
| 19:47 |
|
neksa |
thanks |
| 19:47 |
|
neksa |
egonw: InChI for unique queries only? |
| 19:47 |
|
egonw |
yes |
| 19:47 |
|
egonw |
because InChI does not allow substructure search |
| 19:47 |
|
egonw |
or similarity search |
| 19:48 |
|
egonw |
ok, really back to tv now |
| 19:57 |
|
shk3 |
tv? |
| 19:57 |
|
shk3 |
better do some hacking... |
| 20:12 |
|
* egonw |
has done enough hacking for today... |
| 20:30 |
|
egonw |
actually... going to bed... |
| 20:30 |
|
egonw |
shk3: did you get my comments on the proof? |
| 20:31 |
|
shk3 |
yes |
| 20:31 |
|
egonw |
ok, good |
| 20:31 |
|
shk3 |
I will submit them all together, next week or so |
| 20:31 |
|
egonw |
ack |
| 21:24 |
|
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CIA-1 joined #cdk |
| 21:48 |
|
CIA-1 |
cdk: shk3 * r503 /trunk/protonprediction/Data/input/ (data.txt dataX.txt dataY.txt): new data |
| 22:24 |
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CIA-1 joined #cdk |
| 22:43 |
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CIA-1 joined #cdk |
| 22:44 |
|
CIA-1 |
cdk: shk3 * r504 /trunk/nmrshiftdb/src/vmtemplates/portlets/html/user-order.vm: made the assignment button a link |
| 22:55 |
|
CIA-1 |
cdk: shk3 * r8702 /trunk/cdk/src/org/openscience/cdk/smiles/SmilesGenerator.java: added my changes (use of aromaticity possible) to trunk |
| 22:56 |
|
CIA-1 |
cdk: shk3 * r8703 /branches/cdk-1.0.x/src/org/openscience/cdk/smiles/SmilesGenerator.java: added rajarshis changes to 1.0 branch |
