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.

> 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). 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
- - - - - - - - - 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.

Kind regards,
Vedrin
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