Re: r12867 - /1.3/gui/analyses/auto_rx_base.py -- June 07, 2011 - 11:53

Hi,

This is not yet implemented, but I am thinking of taking Michael's new
code and shifting it into the gui/components/spectrum.py file and
implementing these ideas as a test.  Having all the code for the peak
lists in its own module allows this to be extended and advanced
without complicating the other code, and allows it to be reused.  For
the gui data, this is stored in a special container in the relax data
store, so a relax save file contains all of this info.  If you reload
the save file, then everything you have entered will be loaded into
the gui.  I would suggest that the variables in the relax data store
are not changed though, so that we have backwards compatibility with
relax save files!

Regards,

Edward



On 7 June 2011 11:41, Sébastien Morin <sebastien.morin.1@xxxxxxxxx> wrote:
> Hi,
>
> Maybe this is already implemented (!), but it would be VERY useful to be
> able to save the setup for further runs. This would avoid the need for
> inputting all fields every time the gui is opened... It would save time, but
> also ensure that someone using the gui on different computer or times,
> inputs the data the same way, etc. It would also allow keeping trace of what
> has been done as this file could be a etxt file that the gui could parse for
> setup, but also that someone could read to verify how things were setup for
> a particular run...
>
> What do you think ?
>
>
> Séb  :)
>
>
>
> On 11-06-07 11:32 AM, Edward d'Auvergne wrote:
> > Hi Michael,
> >
> > I now see what the design is you are trying to achieve :)  I.e. you
> > input the time of one relaxation time block and the number of cycles,
> > and relax calculates the times from that.  I think that is a good
> > idea!  I would suggest to redesign the elements a bit though.
> >
> > - All the buttons and entry boxes on the left of the table could be
> > deleted.
> >
> > - The "relaxation time block [s]" input element could be shifted to
> > the block above, just under the "Unresolved residues:".
> >
> > - A third column added to the grid.
> >
> > - The column names would be "R2 peak lists", "Number of cycles",
> > "Relaxation time [s]".
> >
> > - Double clicking on the first column would open the file open dialog.
> >
> > - Double clicking on the second would allow an integer to be input
> > (and should be checked to be an integer).
> >
> > - The third column would be non-editable and would be automatically
> > calculated when the number of cycles is input (assuming the time is
> > given).
> >
> > What do you think?
> >
> > Cheers,
> >
> > Edward
> >
> >
> >
> > On 7 June 2011 03:12,<michael.bieri@xxxxxxxxxxxxx>  wrote:
> > > Author: michaelbieri
> > > Date: Tue Jun  7 03:12:32 2011
> > > New Revision: 12867
> > >
> > > URL: http://svn.gna.org/viewcvs/relax?rev=12867&view=rev
> > > Log:
> > > Added import VC (variable counter) list function incl. space to sepcify
> > > counter time.
> > >
> > > Modified:
> > >    1.3/gui/analyses/auto_rx_base.py
> > >
> > > Modified: 1.3/gui/analyses/auto_rx_base.py
> > > URL:
> > > http://svn.gna.org/viewcvs/relax/1.3/gui/analyses/auto_rx_base.py?rev=12867&r1=12866&r2=12867&view=diff
> > >
> > > ==============================================================================
> > > --- 1.3/gui/analyses/auto_rx_base.py (original)
> > > +++ 1.3/gui/analyses/auto_rx_base.py Tue Jun  7 03:12:32 2011
> > > @@ -179,6 +179,21 @@
> > >             self.gui.Bind(wx.EVT_BUTTON, self.load_vd, add_vd)
> > >             button_sizer.Add(add_vd, 0, wx.ADJUST_MINSIZE, 0)
> > >
> > > +        # Add Vc list import
> > > +        if self.label =='R2':
> > > +            add_vc = wx.Button(self.parent, -1, "+VC")
> > > +            add_vc.SetToolTipString("Add VC (variable counter) list to
> > > automatically fill in R2 relaxation times.")
> > > +            add_vc.SetMinSize((50, 50))
> > > +            self.gui.Bind(wx.EVT_BUTTON, self.load_vd, add_vc)
> > > +            button_sizer.Add(add_vc, 0, wx.ADJUST_MINSIZE, 0)
> > > +
> > > +            # Time of counter
> > > +            label = wx.TextCtrl(self.parent, -1, "0")
> > > +            label.SetToolTipString("Time of counter loop in seconds.")
> > > +            label.SetMinSize((50, 20))
> > > +            label.SetFont(wx.Font(7, wx.DEFAULT, wx.NORMAL, wx.NORMAL,
> > > 0, ""))
> > > +            button_sizer.Add(label, 0, 0 ,0)
> > > +
> > >         # Pack buttons
> > >         sizer.Add(button_sizer, 0, 0, 0)
> > >
> > >
> > >
> > > _______________________________________________
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> --
> Sébastien Morin, Ph.D.
> Postdoctoral Fellow, S. Grzesiek NMR Laboratory
> Department of Structural Biology
> Biozentrum, Universität Basel
> Klingelbergstrasse 70
> 4056 Basel
> Switzerland