[OTDev] First version of reach reporting service available
Martin Guetlein martin.guetlein at googlemail.comSat Aug 21 14:48:04 CEST 2010
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Hi Vedrin, thanks a lot for testing. On Fri, Aug 20, 2010 at 2:14 PM, Vedrin Jeliazkov < vedrin.jeliazkov at gmail.com> wrote: > Hi Martin, > > On 19 August 2010 12:58, Martin Guetlein <martin.guetlein at googlemail.com> > wrote: > > Hello All, > > > > the first version of the qmrf report service is available. > > Well done! > > > See below for > > example curl calls. More functionality and a better documentation on the > > opentox-webpage will be available soon. > > > > I would be happy if you could give it a try (with your own model / > > qmrf-report) and give some feedback to me. > > > > create new qmrf-report from model: > > -------------------------------------------------- > > curl -X POST -d model_uri= > http://apps.ideaconsult.net:8080/ambit2/model/33 > > http://opentox.informatik.uni-freiburg.de/validation/reach_report/QMRF > > (The content is very sparse yet, will be extended soon) > > Works fine for http://apps.ideaconsult.net:8080/ambit2/model/33, but > results in an error for models that don't include a reference to a > dependent variable (e.g. > http://apps.ideaconsult.net:8080/ambit2/model/2) -- I'm not sure > whether this is expected or not. > Your are right it should work without dependent variables, I fixed that, it now works with your model. > > > alternatively, create new qmrf-report from file: > > ----------------------------------------------------------------- > > curl -X POST -T QMRF_v1.2_FishTox.xml > > http://opentox.informatik.uni-freiburg.de/validation/reach_report/QMRF > > (file is available at http://ecb.jrc.ec.europa.eu/qsar/qsar-tools/qrf) > > Couldn't locate and download QMRF_v1.2_FishTox.xml (the URL seems to > be broken). Sorry the correct link was: http://ecb.jrc.ec.europa.eu/qsar/qsar-tools/index.php?c=QRF > Tried instead the following most recent QMRFs, submitted > and published in the QMRF Inventory (http://qsardb.jrc.it/qmrf/): > > > http://qsardb.jrc.it/qmrf/download.jsp?filetype=xml&id=245&action=dbattachments > > http://qsardb.jrc.it/qmrf/download.jsp?filetype=xml&id=242&action=dbattachments > > http://qsardb.jrc.it/qmrf/download.jsp?filetype=xml&id=241&action=dbattachments > > In all the 3 cases, the creation of a new qmrf-report at > http://opentox.informatik.uni-freiburg.de/validation/reach_report/QMRF > resulted in an error (full output, allong with the corresponding > input, is attached in the 7z archive). Here is an relevant excerpt > from the returned exceptions: > > - - - - - - - - - 8< - - - - - - - - > RuntimeError at /validation/reach_report/QMRF > node not found: attachment_documents > (ReachReports::QsarMiscelaneous.from_xml) > ./reach_reports/reach_persistance.rb: in from_xml, line 115 > Thanks, I fixed this bug. The attachments are now converted to/from XML correctly. > - - - - - - - - - 8< - - - - - - - - > > > get report as qmrf-xml: > > -------------------------------- > > curl -H "accept:application/qmrf-xml" > > http://opentox.informatik.uni-freiburg.de/validation/reach_report/QMRF/3 > > (This format can be edited with the qmrf editor at > > http://ambit.sourceforge.net/qmrf/jws/qmrfeditor.jnlp) > > Works fine. > > > update changes (made with editor) to report at web service: > > > ----------------------------------------------------------------------------------- > > curl -X POST -T QMRF_v1.2_FishTox.xml > > http://opentox.informatik.uni-freiburg.de/validation/reach_report/QMRF/3 > > Also works fine. However, I would like to mention that the XML > generated by the service is not strictly identical to the one from the > qmrf editor. This can be seen when comparing the following files, also > attached in the zip archive: > > 33a.xml --> original file returned by the service > 33b.xml --> a version of 33a.xml, which was edited with the qmrf > editor and submitted back to the service > 33c.xml --> a version of 33b.xml, returned by the service > > As you will notice, 33b.xml and 33c.xml differ, however this might be > a rather cosmetic issue if it does not result in different semantics > of the content. > Indeed, the xml-file provided by the service might differ from the xml-file you sent to the service. The changes are due to conversion issues (the reference-id to the catalog entries may change, as well as line breaks, .. ). The content does not change. I compared 33b.xml and 33c.xml in the editor, the content seams to be equal. Best regards, Martin > > Kind regards, > Vedrin > > _______________________________________________ > Development mailing list > Development at opentox.org > http://www.opentox.org/mailman/listinfo/development > > -- Dipl-Inf. Martin Gütlein Phone: +49 (0)761 203 8442 (office) +49 (0)177 623 9499 (mobile) Email: guetlein at informatik.uni-freiburg.de
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