Camelia, the Perl 6 bug

IRC log for #cdk, 2009-03-24

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All times shown according to UTC.

Time Nick Message
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07:59 jpansanel moin
07:59 zarah hello jpansanel, you fantastic person you
08:00 egonw h ijp
08:00 egonw hi jpansanel
08:46 sneumann joined #cdk
09:41 sneumann Abusing InChis for sum formula search ?
09:41 sneumann Hi I can search e.g. PubChem for InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
09:41 sneumann and it will return ethanol.
09:41 sneumann Is it possible to search for
09:42 sneumann InChI=1S/C2H6O/ ? anyway not in PubChem
09:42 sneumann but does it look legal ?
09:43 egonw I think you can just search with molform instead
09:43 egonw http://pubchem.ncbi.nlm.nih.gov/search/search.cgi
09:43 zarah egonw's link is also http://tinyurl.com/c9m6gl
09:43 egonw -> Molecular Formula
09:44 egonw not sure what the PUG API for this is, though
09:44 sneumann no problem, I was looking for how to annotate a MS peak
09:44 egonw 26 hits
09:45 sneumann at various levels of detail.
09:45 sneumann If valid InChi can represent everything from sum formula to full-blown structure I am fine.
09:45 sneumann thanks
09:46 egonw not sure of the connetivity layer is optional or not
09:46 egonw I would guess not
09:57 CIA-62 blueobelisk: baoilleach * r270 /userscripts/trunk/QuotesFromCBandPG.user.js: Added CCj and JoCinf
11:55 CIA-62 cdk: egonw * r14515 /cdk-xws/trunk/xws-cdk-services/src/or​g/openscience/cdk/xws/schema/cml.xml: Updated schema to not use the default NS
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13:02 CIA-62 cdk: goglepox * r14516 /cdk/branches/jchempaint-primary/src/main/org/​openscience/cdk/controller/ControllerHub.java: Added event method for zoom
13:02 CIA-62 cdk: goglepox * r14517 /cdk/branches/jchempaint-primary/src/main/org/​openscience/cdk/controller/ControllerHub.java: Removed trailing spaces
13:03 CIA-62 cdk: goglepox * r14518 /cdk/branches/jchempaint-primary/src/main/org/o​penscience/cdk/controller/HighlightModule.java: Changed logic to be clearer and use new methods
13:03 CIA-62 cdk: goglepox * r14519 /cdk/branches/jchempaint-primary/src/​main/org/openscience/cdk/controller/ (IChemModelEventRelayHandler.java IChemModelRelay.java): Added zoom event methods and removed some traling spaces
13:04 CIA-62 cdk: goglepox * r14520 /cdk/branches/jchempaint-primary/src/main/org​/openscience/cdk/controller/ZoomModule.java: Refactored common code to two methods, some dormant code for zooming to cursor.
13:04 CIA-62 cdk: goglepox * r14521 /cdk/branches/jchempaint-primary/src/main/o​rg/openscience/cdk/renderer/Renderer.java: Gatherd transform related fields together
13:04 CIA-62 cdk: goglepox * r14522 /cdk/branches/jchempaint-primary/src/main/o​rg/openscience/cdk/renderer/Renderer.java: Added call to setup() when fileds related to the transform is changed
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13:50 CIA-62 cdk: gilleain * r14523 /cdk/branches/jchempaint-primary/src/​main/org/openscience/cdk/controller/ (ControllerHub.java IChemModelRelay.java): Restore returning a reference to the bond created in makeNewStereoBond so that the other end can be selected.
13:53 CIA-62 cdk: gilleain * r14524 /cdk/branches/jchempaint-primary/src/main/org/o​penscience/cdk/controller/IChemModelRelay.java: Removed (redundant) 'abstract' modifier from methods in this interface.
14:40 CIA-62 cdk: gilleain * r14525 /jchempaint/trunk/src/main/org/opensci​ence/jchempaint/JChemPaintPanel.java: Implement the new zoomChanged method, and use it rather than the zoomFactorChanged.
15:42 CIA-62 cdk: gilleain * r14526 /jchempaint/trunk/src/main/​org/openscience/jchempaint/ (3 files): Unused imports, deprecated method.
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15:53 CIA-62 cdk: gilleain * r14527 /jchempaint/trunk/src/main/org/opens​cience/jchempaint/RenderPanel.java: Minor cleanup.
16:48 CIA-62 cdk: gilleain * r14528 /cdk/branches/jchempaint-primary/src/main/org/​openscience/cdk/controller/ControllerHub.java: Check for null handler.
16:50 CIA-62 cdk: gilleain * r14529 /jchempaint/trunk/src/main/org/openscience/jc​hempaint/applet/JChemPaintViewerApplet.java: Minor cleanup.
16:51 CIA-62 cdk: gilleain * r14530 /jchempaint/trunk/src/main/org/openscienc​e/jchempaint/application/JChemPaint.java: Unused imports.
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19:11 CIA-62 cdk: gilleain * r14531 /cdk/branches/jchempaint-primary/src/​main/org/openscience/cdk/controller/ (7 files): Cleanup. Especially of the hub methods that find the closest atom in 'range' (ie : highlight distance) which were in severe need of re-writing.
19:52 CIA-62 cdk: gilleain * r14532 /cdk/branches/jchempaint-primary/src/main/org/​openscience/cdk/controller/ControllerHub.java: Check for infinite highlight distance due to null scale.
19:55 CIA-62 cdk: gilleain * r14533 /cdk/branches/jchempaint-primar​y/src/main/org/openscience/cdk/ (2 files in 2 dirs): Revert previous check, and give scale a default value.
20:00 CIA-62 cdk: gilleain * r14534 /cdk/branches/jchempaint-primar​y/src/main/org/openscience/cdk/ (geometry/GeometryTools.java renderer/Renderer.java):
20:00 CIA-62 cdk: - Clarified the GeometryTools method to get atoms near another atom.
20:00 CIA-62 cdk: - Moved the shift method to the renderer.
20:11 CIA-62 cdk: gilleain * r14535 /jchempaint/trunk/src/main/org/opens​cience/jchempaint/RenderPanel.java: Moved the shift method to the renderer.
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