Re: r12867 - /1.3/gui/analyses/auto_rx_base.py -- June 08, 2011 - 07:53

Hi,

I'm not sure what VC and VD are exactly.  This is cryptic NMR
language, the Varian equivalents will be equally cryptic.  Could you
explain these?  I would avoid using Bruker notation, or Varian for
that matter, inside of relax.  We need to be neutral.

For the double click idea, I was playing with that yesterday and it
seems to work well with Veto() calls, so I committed it.  If we add a
field above to allow the delay time to be set, and a column for the
number of cycles, I think the + and +VD and +VC buttons could all be
eliminated, as they become redundant.  I also shifted your code into
gui/components/spectrum.py into the Peak_intensities class, to keep a
cleaner code separation.

Cheers,

Edward


On 7 June 2011 12:47, Michael Bieri <mbieri79@xxxxxxxxx> wrote:
> Hi
>
> The VD and VC list are not an invention of me. Those list are used in Bruker
> spectrometers to set the variable delays in T1 and T2 experiments. We could
> add a wizard, but I think Bruker people know what to do. I have no idea how
> you set the experiment up on Varians. If somebody knows, we could implement
> this as well (to minimise any human introduced errors).
>
> The wx.grid function isn't that advanced. I am not sure if more options are
> possible (eg button in grid). The double click idea is nice. I will
> implement this.
>
> Cheers
> Michael
>
> Am 07.06.2011 19:32, schrieb Edward d'Auvergne:
> > 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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