Re: r11194 - /branches/bieri_gui/gui_bieri/analyses/auto_model_free.py -- May 19, 2010 - 11:33

Done!  See r11207.  You need to pass in the max_iter arg to the
dAuvergne_protocol class.

Regards,

Edward


On 19 May 2010 03:28,  <michael.bieri@xxxxxxxxxxxxx> wrote:
> Author: michaelbieri
> Date: Wed May 19 03:28:29 2010
> New Revision: 11194
>
> URL: http://svn.gna.org/viewcvs/relax?rev=11194&view=rev
> Log:
> GUI element for limiting number of iterations in model-free calculations is 
> added as discussed with Edward d'Auvergne.
>
> Value of maximum iteration SpinCtrl is synchronized with relax data storage.
> Edward, do you include this new function in the dauvergne_protocol.py 
> script?
>
> 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=11194&r1=11193&r2=11194&view=diff
> ==============================================================================
> --- branches/bieri_gui/gui_bieri/analyses/auto_model_free.py (original)
> +++ branches/bieri_gui/gui_bieri/analyses/auto_model_free.py Wed May 19 
> 03:28:29 2010
> @@ -135,6 +135,29 @@
>         # Pack the title.
>         box.Add(label, 0, wx.BOTTOM|wx.ADJUST_MINSIZE, 18)
>
> +
> +    def add_max_iterations(self, box):
> +        """Create and add the model-free maximum interation GUI element to 
> the given box.
> +
> +        @param box:     The box element to pack the model-free maximum 
> iteration GUI element into.
> +        @type box:      wx.BoxSizer instance
> +        """
> +
> +        # Sizer.
> +        sizer = wx.BoxSizer(wx.HORIZONTAL)
> +
> +        # Text.
> +        label_maxiter = wx.StaticText(self.parent, -1, "Maximum 
> interations:")
> +        label_maxiter.SetMinSize((240, 17))
> +        sizer.Add(label_maxiter, 0, 
> wx.ADJUST_MINSIZE|wx.ALIGN_CENTER_VERTICAL, 0)
> +
> +        # Spinner.
> +        self.max_iter = wx.SpinCtrl(self.parent, -1, "30", min=25, max=100)
> +        sizer.Add(self.max_iter, 0, 
> wx.ADJUST_MINSIZE|wx.ALIGN_CENTER_VERTICAL, 0)
> +
> +        # Add the element to the box.
> +        box.Add(sizer, 1, wx.EXPAND, 0)
> +
>
>     def add_mf_models(self, box):
>         """Create and add the model-free model picking GUI element to the 
> given box.
> @@ -690,6 +713,9 @@
>         # Add the model-free models GUI element.
>         self.add_mf_models(box)
>
> +        # Add maximum interation selector.
> +        self.add_max_iterations(box)
> +
>         # Add the PDB file selection GUI element.
>         self.add_pdb_selection(box)
>
> @@ -1076,3 +1102,12 @@
>             self.data.results_dir_model = 
> str(self.resultsdir_r21_copy_2.GetValue())
>         else:
>             
> self.resultsdir_r21_copy_2.SetValue(str(self.data.results_dir_model))
> +
> +        # Maximum iterations.
> +        if upload:
> +            self.data.max_iter = str(self.max_iter.GetValue())
> +        else:
> +            try:
> +                self.max_iter.SetValue(int(self.data.max_iter))
> +            except:
> +                self.max_iter.SetValue(30)  # Default value.
>
>
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