[OTDev] [OTP] Descriptor Calculation GUI

chung chvng at mail.ntua.gr
Mon Dec 20 12:45:25 CET 2010


Hi Nina, Tobias,
   Indeed I think the problem is solved and... here's a code snippet to
generate a dataset with calculated descriptors:

IDescriptorCalculation c = new
Compound(Services.ideaconsult().augment("compound",100));
Future<VRI> t = c.futureCDKPhysChemDescriptors(null,
Services.ideaconsult().augment("dataset"));
System.out.println("Waiting for result...");
System.out.println(t.get());

Best regards,
Pantelis

On Fri, 2010-12-17 at 21:16 +0200, Nina Jeliazkova wrote:

> On 17 December 2010 20:43, chung <chvng at mail.ntua.gr> wrote:
> 
> > Hi Tobias,
> >   I'll be the first to report a bug... sorry! Well, I tried the GUI
> > with the dataset
> > http://apps.ideaconsult.net:8080/ambit2/dataset/54?max=5 which returned
> > the task:
> >
> > http://apps.ideaconsult.net:8080/ambit2/task/76dbd7ca-2f91-4151-b46f-2a1de44121bawhich after about 5 minutes threw an exception with message:
> >
> > Error when trying to copy the dataset at
> >
> > http://opentox.informatik.tu-muenchen.de:8080/OpenTox-dev/task/fc722c23-c6b0-4ab0-a6c3-5991829fd0f2.
> > Is this OpenTox dataset URI?
> >
> 
> 
> There was indeed a problem with status codes returned by TUM services
> (almost always returning 200) , but Tobias had fixed it yesterday.   Which
> descriptor did you try? Perhaps something was still left returning wrong
> status.
> 
> Regards,
> Nina
> 
> 
> 
> >
> > (I attach the details of the error report). It seems that AMBIT services
> > expect a dataset (status code 200) but a task is returned instead
> > (status 201). Before some time I had observed some problems with the
> > status codes from TUMs services through ToxOtis so by the way we can
> > also tackle the issue
> > https://github.com/alphaville/ToxOtis/issues#issue/19 .
> >
> > On Fri, 2010-12-17 at 18:50 +0100, Tobias Girschick wrote:
> >
> > > Hello All,
> > >
> > > A first version of our TUM OpenTox descriptor calculation GUI is
> > > available on the web:
> > >
> > > http://opentox-dev.informatik.tu-muenchen.de:8080/OpenToxGUI
> > >
> > > It still has reduced functionality nearly no error handling and for sure
> > > some bugs and known issues, but feel free to test the initial version. I
> > > would be glad for feedback, especially concerning the handling, not so
> > > much the functionality (as this is still limited due to the early
> > > development stage).
> > >
> > > I will be on holiday next week, so I wish you all Merry Christmas.
> > >
> >
> > Have a nice time :-) Merry Christmas to you too!
> >
> > Best wishes,
> > Pantelis
> >
> >
> > > Best Regards,
> > > Tobias
> > >
> >
> >
> >
> > _______________________________________________
> > Partners mailing list
> > Partners at opentox.org
> > http://www.opentox.org/mailman/listinfo/partners
> >
> >
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