Re: r10992 - /branches/bieri_gui/gui_bieri/analyses/auto_model_free.py -- March 15, 2010 - 23:42

Would it be better to save this idea for later, after the initial
release?  For example, this could be indicated by some status
indicating that some of the global models are finished by changing the
colour of those buttons.  How would the interface know this
information though?  This could be quite advanced, with the user
specifying the location of the files for a certain global model, and
relax (through the auto-analysis code as it currently does) then
determines which round of optimisation it was up to.  Then if the user
selects that global model, it will be further optimised (i.e. freeze,
shut down, etc.).  Specifying the location of files allows parts of
the analysis to be run on different machines.  Although extending
Gary's multi-processor would be much more powerful.  What do you
think?

Regards,

Edward



On 15 March 2010 22:13, Michael Bieri <michael.bieri@xxxxxx> wrote:
> The problem is, if a user started, let's say, the sphere diffusion
> tensor after finishing local tm and the computer freezes, shuts down or
> whatever... Then, he has to have an opportunity to enable all the
> tensors to calculate. Or if the user started the calculation on one
> computer and continues on another. I would suggest to add a menu entry
> that enables all the buttons in the dialog to choose the tensors. What
> do you think?
>
>
> Edward d'Auvergne schrieb:
> > Hi Michael,
> >
> > I'm not exactly sure what you mean by this design?  The local tm model
> > must be optimised in the very first step for the dAuvergne_protocol
> > auto-analysis.  I'm guessing the purpose is to exclude certain
> > diffusion tensors from the analysis, for example if there is no PDB
> > structure yet.  Is this correct?  Maybe it could be set up similarly
> > to the choice of model-free models to use?  I.e. placing the 4 buttons
> > from the "Select Calculation Mode" window (after clicking on "Execute
> > relax"), specifically the sphere, prolate spheroid, oblate spheroid,
> > and ellipsoid buttons, directly into the auto-model-free frame and
> > using this to turn off certain diffusion models.  There will be more
> > room for this after deletion of the model selection GUI element.  But
> > this would depend on the exact purpose of this change.
> >
> > Cheers,
> >
> > Edward
> >
> >
> >
> > On 14 March 2010 23:08,  <michael.bieri@xxxxxx> wrote:
> >
> > > Author: michaelbieri
> > > Date: Sun Mar 14 23:08:57 2010
> > > New Revision: 10992
> > >
> > > URL: http://svn.gna.org/viewcvs/relax?rev=10992&view=rev
> > > Log:
> > > Local tm flag was temporarly set as True to enable to select each tensor 
> > > to be calculated without first calculating local tm model.
> > >
> > > I propose we add a menu entry (in Settings) that users can enable all the 
> > > tensor calculations.
> > >
> > > Modified:
> > >    branches/bieri_gui/gui_bieri/analyses/auto_model_free.py
> > >
> > > Modified: branches/bieri_gui/gui_bieri/analyses/auto_model_free.py
> > > URL: 
> > > http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/analyses/auto_model_free.py?rev=10992&r1=10991&r2=10992&view=diff
> > > ==============================================================================
> > > --- branches/bieri_gui/gui_bieri/analyses/auto_model_free.py (original)
> > > +++ branches/bieri_gui/gui_bieri/analyses/auto_model_free.py Sun Mar 14 
> > > 23:08:57 2010
> > > @@ -779,7 +779,7 @@
> > >         """
> > >
> > >         # The dialog.
> > > -        dlg = Select_tensor(None, -1, "", 
> > > local_tm_flag=local_tm_complete)
> > > +        dlg = Select_tensor(None, -1, "", local_tm_flag=True)
> > >         dlg.ShowModal()
> > >
> > >         # Return the choice.
> > >
> > >
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