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List:       relax-devel
Subject:    Re: r11194 - /branches/bieri_gui/gui_bieri/analyses/auto_model_free.py
From:       "Edward d'Auvergne" <edward () domain ! hid>
Date:       2010-05-19 9:33:00
Message-ID: AANLkTinr_aaqzc2pEakgkciAdGmBoKennyaNe2--TgNx () domain ! hid
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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@domain.hid> 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. +
> +        @domain.hid box:     The box element to pack the model-free maximum \
> iteration GUI element into. +        @domain.hid 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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