mailRe: r12975 - /1.3/gui/components/spectrum.py


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Posted by Edward d'Auvergne on June 14, 2011 - 11:00:
Hi,

I'm really just playing at the moment with these things.  I'm also
looking at making the interface expandable so that the main GUI window
can be resized.  This would be of great use in the next version of the
interface, and it also adds a lot of polish.  I'm also abstracting the
code a lot so that all similar GUI elements are located within one
method (or class).  Then that one piece of code can be improved or
modified and that change is propagated across the GUI.  For example
the 'change' button, or the text-textctrl-button GUI elements.

For the pulse sequences, would you be able to attach the one where the
times are set directly?  I have used the Varian protein-pack (now
called Biopack I think) and Kay's single scan interleaved sequences,
and have extensively worked with Paul Gooley and Wolfgang Bermel to
have single scan interleaving and temperature compensation blocks
added to the standard Bruker sequences.  From all this work, there are
only two things I see that are set in these sequences:

1) The length of time of one CPMG block (in the R2) or the length of
the relaxation period with cross-correlated relaxation decoupling in
the R1.

2) The number of cycles (protein-pack) or the relaxation delay loops (Bruker).

I have yet to come across a pulse sequence where you can specify times
randomly, e.g. 10ms, 176.23 ms, 18 ms, 206.46 ms (it may be possible
though).  Protein-pack's, Kay's, and Bruker's sequences all calculate
what the time periods are from the single element time, multiplied by
the number of times it is repeated (though sometimes slightly off).
For example in Bruker Biospin, see the d20 loop in:

http://rmni.iqfr.csic.es/guide/eNMR/proteins/relaxexp1.html

If you have a pulse sequence where the times are set directly, could
you attach it?  There is a possibility that the R1 time can be
anything, and in that case we can redesign the GUI element to fit.
But this is dangerous as the cross-correlated relaxation decoupling
may not be consistent if pulses are not perfectly calibrated.  It is
most definitely not allowed in a R2 experiment.

Cheers,

Edward



On 14 June 2011 01:31, Michael Bieri <michael.bieri@xxxxxxxxxxxxx> wrote:
Hi Edward

I think we will have to change this design. Currently, R1 tab is wrong, as
nobody sets cycles for T1 delays. Here, relaxation delays have to be set
directly.
For R2, this is true for Bruker people. But I don't know if Varian sets the
T2 delays in a similar matter (using cycles). So we might exclude Varian
users like this...

Let me know when you finalised the reorganisation of the GUI components and
I will fix this.

By the way. Nice coding around the grid class! I like the spin.ctrl in the
grid!

Cheers
Michael

Am 10.06.2011 23:57, schrieb edward@xxxxxxxxxxxxx:

Author: bugman
Date: Fri Jun 10 15:57:28 2011
New Revision: 12975

URL: http://svn.gna.org/viewcvs/relax?rev=12975&view=rev
Log:
The peak intensity GUI element is now enclosed within a StaticBox.


Modified:
    1.3/gui/components/spectrum.py

Modified: 1.3/gui/components/spectrum.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/gui/components/spectrum.py?rev=12975&r1=12974&r2=12975&view=diff

==============================================================================
--- 1.3/gui/components/spectrum.py (original)
+++ 1.3/gui/components/spectrum.py Fri Jun 10 15:57:28 2011
@@ -241,16 +241,22 @@
         # The number of rows.
         self.num_rows = 50

-        # Add peak list selection header.
-        self.subparent.add_subtitle(box, "Data points")
+        # A static box to hold all the widgets, and its sizer.
+        stat_box = wx.StaticBox(self.parent, -1, "Peak lists")
+        stat_box.SetFont(self.gui.font_subtitle)
+        sub_sizer = wx.StaticBoxSizer(stat_box, wx.VERTICAL)

         # Add the cycle delay time element.
-        self.delay_time = self.subparent.add_text_sel_element(box,
self.parent, text="Single delay cycle time [s]")
+        sub_sizer.AddSpacer(self.spacing)
+        self.delay_time = self.subparent.add_text_sel_element(sub_sizer,
self.parent, text="Single delay cycle time [s]")

         # Add the grid.
-        box.AddSpacer(self.spacing)
-        self.add_grid(box)
-        box.AddSpacer(self.spacing)
+        sub_sizer.AddSpacer(self.spacing)
+        self.add_grid(sub_sizer)
+        sub_sizer.AddSpacer(self.spacing)
+
+        # Add the sizer to the static box and the static box to the main
box.
+        box.Add(sub_sizer, 1, wx.ALL|wx.EXPAND, 0)


     def add_buttons(self, sizer):


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