Changeset 921


Ignore:
Timestamp:
May 17, 2013 2:28:19 PM (9 years ago)
Author:
toby
Message:

more modules added

Location:
trunk/sphinxdocs
Files:
10 added
6 deleted
11 edited

Legend:

Unmodified
Added
Removed
  • trunk/sphinxdocs/build/html/GSASIImapvars.html

    r911 r921  
    2727    <script type="text/javascript" src="_static/doctools.js"></script>
    2828    <link rel="top" title="GSAS-II 0.2.0 documentation" href="index.html" />
    29     <link rel="next" title="GSASIIgrid: Basic GUI routines" href="GSASIIgrid.html" />
     29    <link rel="next" title="GSAS-II GUI Routines" href="GSASIIGUIr.html" />
    3030    <link rel="prev" title="GSAS-II Main Module" href="GSASII.html" />
    3131  </head>
     
    4141             >modules</a> |</li>
    4242        <li class="right" >
    43           <a href="GSASIIgrid.html" title="GSASIIgrid: Basic GUI routines"
     43          <a href="GSASIIGUIr.html" title="GSAS-II GUI Routines"
    4444             accesskey="N">next</a> |</li>
    4545        <li class="right" >
     
    507507                        title="previous chapter"><em>GSAS-II Main Module</em></a></p>
    508508  <h4>Next topic</h4>
    509   <p class="topless"><a href="GSASIIgrid.html"
    510                         title="next chapter"><em>GSASIIgrid: Basic GUI routines</em></a></p>
     509  <p class="topless"><a href="GSASIIGUIr.html"
     510                        title="next chapter"><em>GSAS-II GUI Routines</em></a></p>
    511511  <h3>This Page</h3>
    512512  <ul class="this-page-menu">
     
    541541             >modules</a> |</li>
    542542        <li class="right" >
    543           <a href="GSASIIgrid.html" title="GSASIIgrid: Basic GUI routines"
     543          <a href="GSASIIGUIr.html" title="GSAS-II GUI Routines"
    544544             >next</a> |</li>
    545545        <li class="right" >
  • trunk/sphinxdocs/build/html/_modules/GSASIIddataGUI.html

    r911 r921  
    6161<span class="sd">&#39;&#39;&#39;</span>
    6262<span class="sd">*GSASIIddataGUI: Phase Diffraction Data GUI*</span>
    63 <span class="sd">============================================</span>
     63<span class="sd">--------------------------------------------</span>
     64
    6465<span class="sd">Module to create the GUI for display of diffraction data * phase</span>
    6566<span class="sd">information that is shown in the data display window</span>
     
    108109<span class="c">##### DData routines</span>
    109110<span class="c">################################################################################        </span>
    110 <div class="viewcode-block" id="UpdateDData"><a class="viewcode-back" href="../GSASIIddataGUI.html#GSASIIddataGUI.UpdateDData">[docs]</a><span class="k">def</span> <span class="nf">UpdateDData</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">DData</span><span class="p">,</span><span class="n">data</span><span class="p">):</span>
     111<div class="viewcode-block" id="UpdateDData"><a class="viewcode-back" href="../GSASIIGUI.html#GSASIIddataGUI.UpdateDData">[docs]</a><span class="k">def</span> <span class="nf">UpdateDData</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">DData</span><span class="p">,</span><span class="n">data</span><span class="p">):</span>
    111112    <span class="sd">&#39;&#39;&#39;Display the Diffraction Data associated with a phase</span>
    112113<span class="sd">    (items where there is a value for each histogram and phase)</span>
     
    10401041    <span class="n">DData</span><span class="o">.</span><span class="n">SetSizer</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span>
    10411042    <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span>
    1042         <span class="k">print</span> <span class="s">&#39;FitIn&#39;</span><span class="p">,</span><span class="n">mainSizer</span><span class="o">.</span><span class="n">FitInside</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">)</span>
    10431043        <span class="n">Size</span> <span class="o">=</span> <span class="n">mainSizer</span><span class="o">.</span><span class="n">GetMinSize</span><span class="p">()</span>
    1044         <span class="k">print</span> <span class="s">&#39;MinSize&#39;</span><span class="p">,</span><span class="n">Size</span>
    10451044        <span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">+=</span> <span class="mi">40</span>
    10461045        <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="mi">290</span><span class="p">)</span> <span class="o">+</span> <span class="mi">35</span>
  • trunk/sphinxdocs/build/html/_modules/GSASIIgrid.html

    r911 r921  
    5353<span class="c">#GSASIIgrid - data display routines</span>
    5454<span class="c">########### SVN repository information ###################</span>
    55 <span class="c"># $Date: 2013-05-15 18:18:22 -0500 (Wed, 15 May 2013) $</span>
     55<span class="c"># $Date: 2013-05-16 16:14:33 -0500 (Thu, 16 May 2013) $</span>
    5656<span class="c"># $Author: toby $</span>
    57 <span class="c"># $Revision: 906 $</span>
     57<span class="c"># $Revision: 914 $</span>
    5858<span class="c"># $URL: https://subversion.xor.aps.anl.gov/pyGSAS/trunk/GSASIIgrid.py $</span>
    59 <span class="c"># $Id: GSASIIgrid.py 906 2013-05-15 23:18:22Z toby $</span>
     59<span class="c"># $Id: GSASIIgrid.py 914 2013-05-16 21:14:33Z toby $</span>
    6060<span class="c">########### SVN repository information ###################</span>
    6161<span class="sd">&#39;&#39;&#39;</span>
    6262<span class="sd">*GSASIIgrid: Basic GUI routines*</span>
    63 <span class="sd">================================</span>
     63<span class="sd">--------------------------------</span>
     64
    6465
    6566<span class="sd">&#39;&#39;&#39;</span>
     
    7778<span class="kn">import</span> <span class="nn">webbrowser</span>     <span class="c"># could postpone this for quicker startup</span>
    7879<span class="kn">import</span> <span class="nn">GSASIIpath</span>
    79 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">&quot;$Revision: 906 $&quot;</span><span class="p">)</span>
     80<span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">&quot;$Revision: 914 $&quot;</span><span class="p">)</span>
    8081<span class="kn">import</span> <span class="nn">GSASIImath</span> <span class="kn">as</span> <span class="nn">G2mth</span>
    8182<span class="kn">import</span> <span class="nn">GSASIIIO</span> <span class="kn">as</span> <span class="nn">G2IO</span>
     
    188189<span class="c">################################################################################</span>
    189190       
    190 <div class="viewcode-block" id="SymOpDialog"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.SymOpDialog">[docs]</a><span class="k">class</span> <span class="nc">SymOpDialog</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Dialog</span><span class="p">):</span>
     191<div class="viewcode-block" id="SymOpDialog"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.SymOpDialog">[docs]</a><span class="k">class</span> <span class="nc">SymOpDialog</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Dialog</span><span class="p">):</span>
    191192    <span class="sd">&#39;&#39;&#39;Class to select a symmetry operator</span>
    192193<span class="sd">    &#39;&#39;&#39;</span>
     
    292293        <span class="bp">self</span><span class="o">.</span><span class="n">EndModal</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">ID_CANCEL</span><span class="p">)</span>
    293294</div>
    294 <div class="viewcode-block" id="DisAglDialog"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.DisAglDialog">[docs]</a><span class="k">class</span> <span class="nc">DisAglDialog</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Dialog</span><span class="p">):</span>
     295<div class="viewcode-block" id="DisAglDialog"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.DisAglDialog">[docs]</a><span class="k">class</span> <span class="nc">DisAglDialog</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Dialog</span><span class="p">):</span>
    295296    <span class="sd">&#39;&#39;&#39;Distance Angle Controls dialog</span>
    296297<span class="sd">    &#39;&#39;&#39;</span>
     
    387388        <span class="bp">self</span><span class="o">.</span><span class="n">Draw</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">data</span><span class="p">)</span>
    388389        </div>
    389 <div class="viewcode-block" id="PickTwoDialog"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.PickTwoDialog">[docs]</a><span class="k">class</span> <span class="nc">PickTwoDialog</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Dialog</span><span class="p">):</span>
     390<div class="viewcode-block" id="PickTwoDialog"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.PickTwoDialog">[docs]</a><span class="k">class</span> <span class="nc">PickTwoDialog</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Dialog</span><span class="p">):</span>
    390391    <span class="sd">&#39;&#39;&#39;This does not seem to be in use</span>
    391392<span class="sd">    &#39;&#39;&#39;</span>
     
    453454        <span class="bp">self</span><span class="o">.</span><span class="n">EndModal</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">ID_CANCEL</span><span class="p">)</span>
    454455        </div>
    455 <div class="viewcode-block" id="SingleFloatDialog"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.SingleFloatDialog">[docs]</a><span class="k">class</span> <span class="nc">SingleFloatDialog</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Dialog</span><span class="p">):</span>
     456<div class="viewcode-block" id="SingleFloatDialog"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.SingleFloatDialog">[docs]</a><span class="k">class</span> <span class="nc">SingleFloatDialog</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Dialog</span><span class="p">):</span>
    456457    <span class="s">&#39;Dialog to obtain a single float value from user&#39;</span>
    457458    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">parent</span><span class="p">,</span><span class="n">title</span><span class="p">,</span><span class="n">prompt</span><span class="p">,</span><span class="n">value</span><span class="p">,</span><span class="n">limits</span><span class="o">=</span><span class="p">[</span><span class="mf">0.</span><span class="p">,</span><span class="mf">1.</span><span class="p">],</span><span class="n">format</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.5g</span><span class="s">&#39;</span><span class="p">):</span>
     
    512513        <span class="bp">self</span><span class="o">.</span><span class="n">EndModal</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">ID_CANCEL</span><span class="p">)</span>
    513514        </div>
    514 <div class="viewcode-block" id="GridFractionEditor"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.GridFractionEditor">[docs]</a><span class="k">class</span> <span class="nc">GridFractionEditor</span><span class="p">(</span><span class="n">wg</span><span class="o">.</span><span class="n">PyGridCellEditor</span><span class="p">):</span>
     515<div class="viewcode-block" id="GridFractionEditor"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.GridFractionEditor">[docs]</a><span class="k">class</span> <span class="nc">GridFractionEditor</span><span class="p">(</span><span class="n">wg</span><span class="o">.</span><span class="n">PyGridCellEditor</span><span class="p">):</span>
    515516    <span class="sd">&#39;&#39;&#39;A grid cell editor class that allows entry of values as fractions as well</span>
    516517<span class="sd">    as sine and cosine values [as s() and c()]</span>
     
    597598            <span class="n">evt</span><span class="o">.</span><span class="n">Skip</span><span class="p">()</span>
    598599</div>
    599 <div class="viewcode-block" id="MyHelp"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.MyHelp">[docs]</a><span class="k">class</span> <span class="nc">MyHelp</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Menu</span><span class="p">):</span>
     600<div class="viewcode-block" id="MyHelp"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.MyHelp">[docs]</a><span class="k">class</span> <span class="nc">MyHelp</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Menu</span><span class="p">):</span>
    600601    <span class="sd">&#39;&#39;&#39;</span>
    601602<span class="sd">    A class that creates the contents of a help menu.</span>
     
    641642            <span class="bp">self</span><span class="o">.</span><span class="n">HelpById</span><span class="p">[</span><span class="n">helpobj</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="n">helpType</span>
    642643       
    643 <div class="viewcode-block" id="MyHelp.OnHelpById"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.MyHelp.OnHelpById">[docs]</a>    <span class="k">def</span> <span class="nf">OnHelpById</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span>
     644<div class="viewcode-block" id="MyHelp.OnHelpById"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.MyHelp.OnHelpById">[docs]</a>    <span class="k">def</span> <span class="nf">OnHelpById</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span>
    644645        <span class="sd">&#39;&#39;&#39;Called when Help on... is pressed in a menu. Brings up</span>
    645646<span class="sd">        a web page for documentation.</span>
     
    652653            <span class="n">ShowHelp</span><span class="p">(</span><span class="n">helpType</span><span class="p">,</span><span class="bp">self</span><span class="o">.</span><span class="n">frame</span><span class="p">)</span>
    653654</div>
    654 <div class="viewcode-block" id="MyHelp.OnHelpAbout"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.MyHelp.OnHelpAbout">[docs]</a>    <span class="k">def</span> <span class="nf">OnHelpAbout</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">event</span><span class="p">):</span>
     655<div class="viewcode-block" id="MyHelp.OnHelpAbout"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.MyHelp.OnHelpAbout">[docs]</a>    <span class="k">def</span> <span class="nf">OnHelpAbout</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">event</span><span class="p">):</span>
    655656        <span class="s">&quot;Display an &#39;About GSAS-II&#39; box&quot;</span>
    656657        <span class="k">global</span> <span class="n">__version__</span>
     
    671672        <span class="n">wx</span><span class="o">.</span><span class="n">AboutBox</span><span class="p">(</span><span class="n">info</span><span class="p">)</span>
    672673</div>
    673 <div class="viewcode-block" id="MyHelp.OnCheckUpdates"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.MyHelp.OnCheckUpdates">[docs]</a>    <span class="k">def</span> <span class="nf">OnCheckUpdates</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span>
     674<div class="viewcode-block" id="MyHelp.OnCheckUpdates"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.MyHelp.OnCheckUpdates">[docs]</a>    <span class="k">def</span> <span class="nf">OnCheckUpdates</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span>
    674675        <span class="sd">&#39;&#39;&#39;Check if the GSAS-II repository has an update for the current source files</span>
    675676<span class="sd">        and perform that update if requested.</span>
     
    755756        <span class="k">return</span>
    756757</div></div>
    757 <div class="viewcode-block" id="AddHelp"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.AddHelp">[docs]</a><span class="k">class</span> <span class="nc">AddHelp</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Menu</span><span class="p">):</span>
     758<div class="viewcode-block" id="AddHelp"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.AddHelp">[docs]</a><span class="k">class</span> <span class="nc">AddHelp</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Menu</span><span class="p">):</span>
    758759    <span class="sd">&#39;&#39;&#39;This class a single entry for the help menu (used on the Mac only):</span>
    759760<span class="sd">    &#39;Help on &lt;helpType&gt;&#39;: where helpType is a reference to an HTML page to</span>
     
    773774        <span class="bp">self</span><span class="o">.</span><span class="n">HelpById</span> <span class="o">=</span> <span class="n">helpType</span>
    774775       
    775 <div class="viewcode-block" id="AddHelp.OnHelpById"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.AddHelp.OnHelpById">[docs]</a>    <span class="k">def</span> <span class="nf">OnHelpById</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span>
     776<div class="viewcode-block" id="AddHelp.OnHelpById"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.AddHelp.OnHelpById">[docs]</a>    <span class="k">def</span> <span class="nf">OnHelpById</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span>
    776777        <span class="sd">&#39;&#39;&#39;Called when Help on... is pressed in a menu. Brings up</span>
    777778<span class="sd">        a web page for documentation.</span>
     
    779780        <span class="n">ShowHelp</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">HelpById</span><span class="p">,</span><span class="bp">self</span><span class="o">.</span><span class="n">frame</span><span class="p">)</span>
    780781</div></div>
    781 <div class="viewcode-block" id="MyHtmlPanel"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.MyHtmlPanel">[docs]</a><span class="k">class</span> <span class="nc">MyHtmlPanel</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Panel</span><span class="p">):</span>
     782<div class="viewcode-block" id="MyHtmlPanel"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.MyHtmlPanel">[docs]</a><span class="k">class</span> <span class="nc">MyHtmlPanel</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Panel</span><span class="p">):</span>
    782783    <span class="sd">&#39;&#39;&#39;Defines a panel to display Help information&#39;&#39;&#39;</span>
    783784    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">frame</span><span class="p">,</span> <span class="nb">id</span><span class="p">):</span>
     
    815816            <span class="bp">self</span><span class="o">.</span><span class="n">htmlwin</span><span class="o">.</span><span class="n">Scroll</span><span class="p">(</span><span class="n">xs</span><span class="p">,</span><span class="n">ys</span><span class="o">-</span><span class="mi">1</span><span class="p">)</span>
    816817</div>
    817 <div class="viewcode-block" id="G2HtmlWindow"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.G2HtmlWindow">[docs]</a><span class="k">class</span> <span class="nc">G2HtmlWindow</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">html</span><span class="o">.</span><span class="n">HtmlWindow</span><span class="p">):</span>
     818<div class="viewcode-block" id="G2HtmlWindow"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.G2HtmlWindow">[docs]</a><span class="k">class</span> <span class="nc">G2HtmlWindow</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">html</span><span class="o">.</span><span class="n">HtmlWindow</span><span class="p">):</span>
    818819    <span class="sd">&#39;&#39;&#39;Displays help information in a primitive HTML browser type window</span>
    819820<span class="sd">    &#39;&#39;&#39;</span>
     
    836837            <span class="bp">self</span><span class="o">.</span><span class="n">GetOpenedPageTitle</span><span class="p">())</span>
    837838</div>
    838 <div class="viewcode-block" id="DataFrame"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.DataFrame">[docs]</a><span class="k">class</span> <span class="nc">DataFrame</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Frame</span><span class="p">):</span>
     839<div class="viewcode-block" id="DataFrame"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.DataFrame">[docs]</a><span class="k">class</span> <span class="nc">DataFrame</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Frame</span><span class="p">):</span>
    839840    <span class="sd">&#39;&#39;&#39;Create the dataframe window and all the entries in menus. </span>
    840841<span class="sd">    The binding is for the menus is not done here, but rather is done</span>
    841842<span class="sd">    where the functions can be accessed (in various GSASII*GUI modules). </span>
    842843<span class="sd">    &#39;&#39;&#39;</span>
    843 <div class="viewcode-block" id="DataFrame.Bind"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.DataFrame.Bind">[docs]</a>    <span class="k">def</span> <span class="nf">Bind</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="o">*</span><span class="n">args</span><span class="p">,</span><span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
     844<div class="viewcode-block" id="DataFrame.Bind"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.DataFrame.Bind">[docs]</a>    <span class="k">def</span> <span class="nf">Bind</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="o">*</span><span class="n">args</span><span class="p">,</span><span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
    844845        <span class="sd">&#39;&#39;&#39;Override the Bind() function: on the Mac the binding is to</span>
    845846<span class="sd">        the main window, so that menus operate with any window on top.</span>
     
    851852            <span class="n">wx</span><span class="o">.</span><span class="n">Frame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="o">*</span><span class="n">args</span><span class="p">,</span><span class="o">**</span><span class="n">kwargs</span><span class="p">)</span>     
    852853        </div>
    853 <div class="viewcode-block" id="DataFrame.PrefillDataMenu"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.DataFrame.PrefillDataMenu">[docs]</a>    <span class="k">def</span> <span class="nf">PrefillDataMenu</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">menu</span><span class="p">,</span><span class="n">helpType</span><span class="p">,</span><span class="n">helpLbl</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span><span class="n">empty</span><span class="o">=</span><span class="bp">False</span><span class="p">):</span>
     854<div class="viewcode-block" id="DataFrame.PrefillDataMenu"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.DataFrame.PrefillDataMenu">[docs]</a>    <span class="k">def</span> <span class="nf">PrefillDataMenu</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">menu</span><span class="p">,</span><span class="n">helpType</span><span class="p">,</span><span class="n">helpLbl</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span><span class="n">empty</span><span class="o">=</span><span class="bp">False</span><span class="p">):</span>
    854855        <span class="sd">&#39;&#39;&#39;Create the &quot;standard&quot; part of data frame menus. Note that on Linux and</span>
    855856<span class="sd">        Windows nothing happens here. On Mac, this menu duplicates the</span>
     
    864865                <span class="n">menu</span><span class="o">.</span><span class="n">Append</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Menu</span><span class="p">(</span><span class="n">title</span><span class="o">=</span><span class="s">&#39;&#39;</span><span class="p">),</span><span class="n">title</span><span class="o">=</span><span class="s">&#39;|&#39;</span><span class="p">)</span> <span class="c"># add a separator</span>
    865866        </div>
    866 <div class="viewcode-block" id="DataFrame.PostfillDataMenu"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.DataFrame.PostfillDataMenu">[docs]</a>    <span class="k">def</span> <span class="nf">PostfillDataMenu</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">empty</span><span class="o">=</span><span class="bp">False</span><span class="p">):</span>
     867<div class="viewcode-block" id="DataFrame.PostfillDataMenu"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.DataFrame.PostfillDataMenu">[docs]</a>    <span class="k">def</span> <span class="nf">PostfillDataMenu</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">empty</span><span class="o">=</span><span class="bp">False</span><span class="p">):</span>
    867868        <span class="sd">&#39;&#39;&#39;Create the &quot;standard&quot; part of data frame menus. Note that on Linux and</span>
    868869<span class="sd">        Windows, this is the standard help Menu. On Mac, this menu duplicates the</span>
     
    14001401<span class="c">################################################################################           </span>
    14011402       </div>
    1402 <div class="viewcode-block" id="GSNoteBook"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.GSNoteBook">[docs]</a><span class="k">class</span> <span class="nc">GSNoteBook</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">aui</span><span class="o">.</span><span class="n">AuiNotebook</span><span class="p">):</span>
     1403<div class="viewcode-block" id="GSNoteBook"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.GSNoteBook">[docs]</a><span class="k">class</span> <span class="nc">GSNoteBook</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">aui</span><span class="o">.</span><span class="n">AuiNotebook</span><span class="p">):</span>
    14031404    <span class="sd">&#39;&#39;&#39;Notebook used in various locations; implemented with wx.aui extension</span>
    14041405<span class="sd">    &#39;&#39;&#39;</span>
     
    14171418            <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">GetPageText</span><span class="p">(</span><span class="n">page</span><span class="p">)</span> <span class="o">==</span> <span class="n">name</span><span class="p">:</span>
    14181419                <span class="k">return</span> <span class="n">page</span>
     1420
     1421    <span class="k">def</span> <span class="nf">ChangeSelection</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">page</span><span class="p">):</span>
     1422        <span class="c"># in the wx.Notebook ChangeSelection is like SetSelection, but it</span>
     1423        <span class="c"># does not invoke the event related to pressing the tab button</span>
     1424        <span class="c"># I don&#39;t see a way to do that in aui.</span>
     1425        <span class="n">oldPage</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">GetSelection</span><span class="p">()</span>
     1426        <span class="bp">self</span><span class="o">.</span><span class="n">SetSelection</span><span class="p">(</span><span class="n">page</span><span class="p">)</span>
     1427        <span class="k">return</span> <span class="n">oldPage</span>
    14191428
    14201429    <span class="c"># def __getattribute__(self,name):</span>
     
    14381447<span class="c">################################################################################           </span>
    14391448       </div>
    1440 <div class="viewcode-block" id="GSGrid"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.GSGrid">[docs]</a><span class="k">class</span> <span class="nc">GSGrid</span><span class="p">(</span><span class="n">wg</span><span class="o">.</span><span class="n">Grid</span><span class="p">):</span>
     1449<div class="viewcode-block" id="GSGrid"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.GSGrid">[docs]</a><span class="k">class</span> <span class="nc">GSGrid</span><span class="p">(</span><span class="n">wg</span><span class="o">.</span><span class="n">Grid</span><span class="p">):</span>
    14411450    <span class="sd">&#39;&#39;&#39;Basic wx.Grid implementation</span>
    14421451<span class="sd">    &#39;&#39;&#39;</span>
     
    14621471<span class="c">################################################################################           </span>
    14631472       </div>
    1464 <div class="viewcode-block" id="Table"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.Table">[docs]</a><span class="k">class</span> <span class="nc">Table</span><span class="p">(</span><span class="n">wg</span><span class="o">.</span><span class="n">PyGridTableBase</span><span class="p">):</span>
     1473<div class="viewcode-block" id="Table"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.Table">[docs]</a><span class="k">class</span> <span class="nc">Table</span><span class="p">(</span><span class="n">wg</span><span class="o">.</span><span class="n">PyGridTableBase</span><span class="p">):</span>
    14651474    <span class="sd">&#39;&#39;&#39;Basic data table for use with GSgrid</span>
    14661475<span class="sd">    &#39;&#39;&#39;</span>
     
    16011610<span class="c">################################################################################</span>
    16021611</div>
    1603 <div class="viewcode-block" id="ShowHelp"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.ShowHelp">[docs]</a><span class="k">def</span> <span class="nf">ShowHelp</span><span class="p">(</span><span class="n">helpType</span><span class="p">,</span><span class="n">frame</span><span class="p">):</span>
     1612<div class="viewcode-block" id="ShowHelp"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.ShowHelp">[docs]</a><span class="k">def</span> <span class="nf">ShowHelp</span><span class="p">(</span><span class="n">helpType</span><span class="p">,</span><span class="n">frame</span><span class="p">):</span>
    16041613    <span class="sd">&#39;&#39;&#39;Called to bring up a web page for documentation.&#39;&#39;&#39;</span>
    16051614    <span class="k">global</span> <span class="n">htmlFirstUse</span>
     
    16341643<span class="c">################################################################################           </span>
    16351644       </div>
    1636 <div class="viewcode-block" id="UpdateNotebook"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.UpdateNotebook">[docs]</a><span class="k">def</span> <span class="nf">UpdateNotebook</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">):</span>
     1645<div class="viewcode-block" id="UpdateNotebook"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.UpdateNotebook">[docs]</a><span class="k">def</span> <span class="nf">UpdateNotebook</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">):</span>
    16371646    <span class="sd">&#39;&#39;&#39;Called when the data tree notebook entry is selected. Allows for</span>
    16381647<span class="sd">    editing of the text in that tree entry</span>
     
    16581667<span class="c">################################################################################           </span>
    16591668       </div>
    1660 <div class="viewcode-block" id="UpdateControls"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.UpdateControls">[docs]</a><span class="k">def</span> <span class="nf">UpdateControls</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">):</span>
     1669<div class="viewcode-block" id="UpdateControls"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.UpdateControls">[docs]</a><span class="k">def</span> <span class="nf">UpdateControls</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">):</span>
    16611670    <span class="sd">&#39;&#39;&#39;Edit overall GSAS-II controls in main Controls data tree entry</span>
    16621671<span class="sd">    &#39;&#39;&#39;</span>
     
    18371846<span class="c">################################################################################           </span>
    18381847       
    1839 <div class="viewcode-block" id="UpdateSeqResults"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.UpdateSeqResults">[docs]</a><span class="k">def</span> <span class="nf">UpdateSeqResults</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">):</span>
     1848<div class="viewcode-block" id="UpdateSeqResults"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.UpdateSeqResults">[docs]</a><span class="k">def</span> <span class="nf">UpdateSeqResults</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">):</span>
    18401849    <span class="sd">&quot;&quot;&quot;</span>
    18411850<span class="sd">    Called when the Sequential Results data tree entry is selected</span>
     
    19932002<span class="c">################################################################################           </span>
    19942003       </div>
    1995 <div class="viewcode-block" id="UpdatePWHKPlot"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.UpdatePWHKPlot">[docs]</a><span class="k">def</span> <span class="nf">UpdatePWHKPlot</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">kind</span><span class="p">,</span><span class="n">item</span><span class="p">):</span>
    1996     <span class="sd">&#39;&#39;&#39;Not sure what this does</span>
     2004<div class="viewcode-block" id="UpdatePWHKPlot"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.UpdatePWHKPlot">[docs]</a><span class="k">def</span> <span class="nf">UpdatePWHKPlot</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">kind</span><span class="p">,</span><span class="n">item</span><span class="p">):</span>
     2005    <span class="sd">&#39;&#39;&#39;Needs a doc string</span>
    19972006<span class="sd">    &#39;&#39;&#39;</span>
    19982007
     
    20392048<span class="c">################################################################################           </span>
    20402049       </div>
    2041 <div class="viewcode-block" id="UpdateHKLControls"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.UpdateHKLControls">[docs]</a><span class="k">def</span> <span class="nf">UpdateHKLControls</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">):</span>
    2042     <span class="sd">&#39;&#39;&#39;Not sure what this does</span>
     2050<div class="viewcode-block" id="UpdateHKLControls"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.UpdateHKLControls">[docs]</a><span class="k">def</span> <span class="nf">UpdateHKLControls</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">):</span>
     2051    <span class="sd">&#39;&#39;&#39;Needs a doc string</span>
    20432052<span class="sd">    &#39;&#39;&#39;</span>
    20442053   
     
    21342143<span class="c">################################################################################           </span>
    21352144       </div>
    2136 <div class="viewcode-block" id="GetPatternTreeDataNames"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.GetPatternTreeDataNames">[docs]</a><span class="k">def</span> <span class="nf">GetPatternTreeDataNames</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">dataTypes</span><span class="p">):</span>
    2137     <span class="sd">&#39;&#39;&#39;Not sure what this does</span>
     2145<div class="viewcode-block" id="GetPatternTreeDataNames"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.GetPatternTreeDataNames">[docs]</a><span class="k">def</span> <span class="nf">GetPatternTreeDataNames</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">dataTypes</span><span class="p">):</span>
     2146    <span class="sd">&#39;&#39;&#39;Needs a doc string</span>
    21382147<span class="sd">    &#39;&#39;&#39;</span>
    21392148    <span class="n">names</span> <span class="o">=</span> <span class="p">[]</span>
     
    21462155    <span class="k">return</span> <span class="n">names</span>
    21472156                          </div>
    2148 <div class="viewcode-block" id="GetPatternTreeItemId"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.GetPatternTreeItemId">[docs]</a><span class="k">def</span> <span class="nf">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span> <span class="n">parentId</span><span class="p">,</span> <span class="n">itemText</span><span class="p">):</span>
    2149     <span class="sd">&#39;&#39;&#39;Not sure what this does</span>
     2157<div class="viewcode-block" id="GetPatternTreeItemId"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.GetPatternTreeItemId">[docs]</a><span class="k">def</span> <span class="nf">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span> <span class="n">parentId</span><span class="p">,</span> <span class="n">itemText</span><span class="p">):</span>
     2158    <span class="sd">&#39;&#39;&#39;Needs a doc string</span>
    21502159<span class="sd">    &#39;&#39;&#39;</span>
    21512160    <span class="n">item</span><span class="p">,</span> <span class="n">cookie</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetFirstChild</span><span class="p">(</span><span class="n">parentId</span><span class="p">)</span>
     
    21562165    <span class="k">return</span> <span class="mi">0</span>               
    21572166</div>
    2158 <div class="viewcode-block" id="MovePatternTreeToGrid"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.MovePatternTreeToGrid">[docs]</a><span class="k">def</span> <span class="nf">MovePatternTreeToGrid</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">item</span><span class="p">):</span>
    2159     <span class="sd">&#39;&#39;&#39;Not sure what this does</span>
     2167<div class="viewcode-block" id="MovePatternTreeToGrid"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.MovePatternTreeToGrid">[docs]</a><span class="k">def</span> <span class="nf">MovePatternTreeToGrid</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">item</span><span class="p">):</span>
     2168    <span class="sd">&#39;&#39;&#39;Needs a doc string</span>
    21602169<span class="sd">    &#39;&#39;&#39;</span>
    21612170   
     
    24132422        <span class="n">G2pdG</span><span class="o">.</span><span class="n">UpdateReflectionGrid</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">,</span><span class="n">HKLF</span><span class="o">=</span><span class="bp">True</span><span class="p">,</span><span class="n">Name</span><span class="o">=</span><span class="n">name</span><span class="p">)</span>
    24142423</div>
    2415 <div class="viewcode-block" id="SetDataMenuBar"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.SetDataMenuBar">[docs]</a><span class="k">def</span> <span class="nf">SetDataMenuBar</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">menu</span><span class="o">=</span><span class="bp">None</span><span class="p">):</span>
     2424<div class="viewcode-block" id="SetDataMenuBar"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.SetDataMenuBar">[docs]</a><span class="k">def</span> <span class="nf">SetDataMenuBar</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">menu</span><span class="o">=</span><span class="bp">None</span><span class="p">):</span>
    24162425    <span class="sd">&#39;&#39;&#39;Set the menu for the data frame. On the Mac put this</span>
    24172426<span class="sd">    menu for the data tree window instead.</span>
     
    24322441            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetMenuBar</span><span class="p">(</span><span class="n">menu</span><span class="p">)</span>
    24332442</div>
    2434 <div class="viewcode-block" id="HorizontalLine"><a class="viewcode-back" href="../GSASIIgrid.html#GSASIIgrid.HorizontalLine">[docs]</a><span class="k">def</span> <span class="nf">HorizontalLine</span><span class="p">(</span><span class="n">sizer</span><span class="p">,</span><span class="n">parent</span><span class="p">):</span>
     2443<div class="viewcode-block" id="HorizontalLine"><a class="viewcode-back" href="../GSASIIGUIr.html#GSASIIgrid.HorizontalLine">[docs]</a><span class="k">def</span> <span class="nf">HorizontalLine</span><span class="p">(</span><span class="n">sizer</span><span class="p">,</span><span class="n">parent</span><span class="p">):</span>
    24352444    <span class="sd">&#39;&#39;&#39;Draws a horizontal line as wide as the window.</span>
    24362445<span class="sd">    This shows up on the Mac as a very thin line, no matter what I do</span>
  • trunk/sphinxdocs/build/html/_modules/GSASIIphsGUI.html

    r911 r921  
    5353<span class="c">#GSASII - phase data display routines</span>
    5454<span class="c">########### SVN repository information ###################</span>
    55 <span class="c"># $Date: 2013-05-15 18:18:22 -0500 (Wed, 15 May 2013) $</span>
     55<span class="c"># $Date: 2013-05-16 23:29:00 -0500 (Thu, 16 May 2013) $</span>
    5656<span class="c"># $Author: toby $</span>
    57 <span class="c"># $Revision: 906 $</span>
     57<span class="c"># $Revision: 916 $</span>
    5858<span class="c"># $URL: https://subversion.xor.aps.anl.gov/pyGSAS/trunk/GSASIIphsGUI.py $</span>
    59 <span class="c"># $Id: GSASIIphsGUI.py 906 2013-05-15 23:18:22Z toby $</span>
     59<span class="c"># $Id: GSASIIphsGUI.py 916 2013-05-17 04:29:00Z toby $</span>
    6060<span class="c">########### SVN repository information ###################</span>
    6161<span class="sd">&#39;&#39;&#39;</span>
    6262<span class="sd">*GSASIIphsGUI: Phase GUI*</span>
    63 <span class="sd">=========================</span>
     63<span class="sd">-------------------------</span>
     64
    6465<span class="sd">Module to create the GUI for display of phase information</span>
    6566<span class="sd">in the data display window when a phase is selected.</span>
     
    8081<span class="kn">import</span> <span class="nn">cPickle</span>
    8182<span class="kn">import</span> <span class="nn">GSASIIpath</span>
    82 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">&quot;$Revision: 906 $&quot;</span><span class="p">)</span>
     83<span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">&quot;$Revision: 916 $&quot;</span><span class="p">)</span>
    8384<span class="kn">import</span> <span class="nn">GSASIIlattice</span> <span class="kn">as</span> <span class="nn">G2lat</span>
    8485<span class="kn">import</span> <span class="nn">GSASIIspc</span> <span class="kn">as</span> <span class="nn">G2spc</span>
     
    109110
    110111
    111 <div class="viewcode-block" id="UpdatePhaseData"><a class="viewcode-back" href="../GSASIIphsGUI.html#GSASIIphsGUI.UpdatePhaseData">[docs]</a><span class="k">def</span> <span class="nf">UpdatePhaseData</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">Item</span><span class="p">,</span><span class="n">data</span><span class="p">,</span><span class="n">oldPage</span><span class="p">):</span>
     112<div class="viewcode-block" id="UpdatePhaseData"><a class="viewcode-back" href="../GSASIIGUI.html#GSASIIphsGUI.UpdatePhaseData">[docs]</a><span class="k">def</span> <span class="nf">UpdatePhaseData</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">Item</span><span class="p">,</span><span class="n">data</span><span class="p">,</span><span class="n">oldPage</span><span class="p">):</span>
    112113    <span class="sd">&#39;&#39;&#39;Create the data display window contents when a phase is clicked on</span>
    113114<span class="sd">    in the man (data tree) window.</span>
     
    234235<span class="sd">        &#39;Drawing&#39;:{}</span>
    235236<span class="sd">        &quot;&quot;&quot;</span>       
     237        <span class="c"># UpdateGeneral execution starts here</span>
    236238        <span class="n">phaseTypes</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;nuclear&#39;</span><span class="p">,</span><span class="s">&#39;modulated&#39;</span><span class="p">,</span><span class="s">&#39;magnetic&#39;</span><span class="p">,</span><span class="s">&#39;macromolecular&#39;</span><span class="p">]</span>
    237239        <span class="n">SetupGeneral</span><span class="p">()</span>
     
    241243        <span class="n">MCSA</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;MCSA controls&#39;</span><span class="p">]</span> 
    242244        <span class="n">PWDR</span> <span class="o">=</span> <span class="nb">any</span><span class="p">([</span><span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">item</span> <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Histograms&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">keys</span><span class="p">()])</span>
     245        <span class="c"># UpdateGeneral execution continues below</span>
    243246       
    244         <span class="k">def</span> <span class="nf">NameSizer</span><span class="p">():</span>
    245                    
     247        <span class="k">def</span> <span class="nf">NameSizer</span><span class="p">():</span>                   
    246248            <span class="k">def</span> <span class="nf">OnPhaseName</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
    247249                <span class="n">oldName</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">]</span>
     
    282284                    <span class="n">Text</span> <span class="o">+=</span> <span class="n">line</span><span class="o">+</span><span class="s">&#39;</span><span class="se">\n</span><span class="s">&#39;</span>
    283285                <span class="n">wx</span><span class="o">.</span><span class="n">MessageBox</span><span class="p">(</span><span class="n">Text</span><span class="p">,</span><span class="n">caption</span><span class="o">=</span><span class="n">msg</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">Style</span><span class="p">)</span>
    284 <span class="c">#                dataDisplay.DestroyChildren()           #needed to clear away bad cellSizer, etc.</span>
     286<span class="c">#                General.DestroyChildren()           #needed to clear away bad cellSizer, etc.</span>
    285287                <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">UpdateGeneral</span><span class="p">)</span>
    286288               
    287289            <span class="n">nameSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
    288             <span class="n">nameSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Phase name: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    289             <span class="n">NameTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">],</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
     290            <span class="n">nameSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Phase name: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     291            <span class="n">NameTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">],</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
    290292            <span class="n">NameTxt</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnPhaseName</span><span class="p">)</span>
    291293            <span class="n">NameTxt</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnPhaseName</span><span class="p">)</span>
    292294            <span class="n">nameSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">NameTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    293             <span class="n">nameSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;  Phase type: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    294             <span class="n">TypeTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">phaseTypes</span><span class="p">,</span>
     295            <span class="n">nameSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;  Phase type: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     296            <span class="n">TypeTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">phaseTypes</span><span class="p">,</span>
    295297                <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>
    296298            <span class="n">TypeTxt</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span> <span class="n">OnPhaseType</span><span class="p">)</span>
    297299            <span class="n">nameSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">TypeTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    298             <span class="n">nameSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;  Space group: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    299             <span class="n">SGTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">][</span><span class="s">&#39;SpGrp&#39;</span><span class="p">],</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
     300            <span class="n">nameSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;  Space group: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     301            <span class="n">SGTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">][</span><span class="s">&#39;SpGrp&#39;</span><span class="p">],</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
    300302            <span class="n">SGTxt</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnSpaceGroup</span><span class="p">)</span>
    301303            <span class="n">nameSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">SGTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     
    411413            <span class="n">cellSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">FlexGridSizer</span><span class="p">(</span><span class="mi">2</span><span class="p">,</span><span class="n">useGUI</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">+</span><span class="mi">1</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">)</span>
    412414            <span class="k">if</span> <span class="n">PWDR</span><span class="p">:</span>
    413                 <span class="n">cellRef</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39;Refine unit cell:&#39;</span><span class="p">)</span>
     415                <span class="n">cellRef</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39;Refine unit cell:&#39;</span><span class="p">)</span>
    414416                <span class="n">cellSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">cellRef</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    415417                <span class="n">cellRef</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_CHECKBOX</span><span class="p">,</span> <span class="n">OnCellRef</span><span class="p">)</span>
     
    417419            <span class="n">cellList</span> <span class="o">=</span> <span class="p">[]</span>
    418420            <span class="k">for</span> <span class="n">txt</span><span class="p">,</span><span class="n">fmt</span><span class="p">,</span><span class="n">ifEdit</span><span class="p">,</span><span class="n">Id</span> <span class="ow">in</span> <span class="n">useGUI</span><span class="p">[</span><span class="mi">2</span><span class="p">]:</span>
    419                 <span class="n">cellSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">txt</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     421                <span class="n">cellSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">txt</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    420422                <span class="k">if</span> <span class="n">ifEdit</span><span class="p">:</span>          <span class="c">#a,b,c,etc.</span>
    421                     <span class="n">cellVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="p">(</span><span class="n">fmt</span><span class="o">%</span><span class="p">(</span><span class="n">cell</span><span class="p">[</span><span class="n">Id</span><span class="o">+</span><span class="mi">1</span><span class="p">])),</span>
     423                    <span class="n">cellVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="p">(</span><span class="n">fmt</span><span class="o">%</span><span class="p">(</span><span class="n">cell</span><span class="p">[</span><span class="n">Id</span><span class="o">+</span><span class="mi">1</span><span class="p">])),</span>
    422424                        <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
    423425                    <span class="n">cellVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnCellChange</span><span class="p">)</span>       
     
    426428                    <span class="n">cellList</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">cellVal</span><span class="o">.</span><span class="n">GetId</span><span class="p">())</span>
    427429                <span class="k">else</span><span class="p">:</span>               <span class="c">#volume</span>
    428                     <span class="n">volVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="p">(</span><span class="n">fmt</span><span class="o">%</span><span class="p">(</span><span class="n">cell</span><span class="p">[</span><span class="mi">7</span><span class="p">])),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
     430                    <span class="n">volVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="p">(</span><span class="n">fmt</span><span class="o">%</span><span class="p">(</span><span class="n">cell</span><span class="p">[</span><span class="mi">7</span><span class="p">])),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
    429431                    <span class="n">volVal</span><span class="o">.</span><span class="n">SetBackgroundColour</span><span class="p">(</span><span class="n">VERY_LIGHT_GREY</span><span class="p">)</span>
    430432                    <span class="n">cellSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">volVal</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     
    446448               
    447449            <span class="n">elemSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">FlexGridSizer</span><span class="p">(</span><span class="mi">8</span><span class="p">,</span><span class="nb">len</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;AtomTypes&#39;</span><span class="p">])</span><span class="o">+</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">)</span>
    448             <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Elements&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     450            <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Elements&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    449451            <span class="k">for</span> <span class="n">elem</span> <span class="ow">in</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;AtomTypes&#39;</span><span class="p">]:</span>
    450                 <span class="n">typTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">elem</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
     452                <span class="n">typTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">elem</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
    451453                <span class="n">typTxt</span><span class="o">.</span><span class="n">SetBackgroundColour</span><span class="p">(</span><span class="n">VERY_LIGHT_GREY</span><span class="p">)</span>
    452454                <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">typTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    453             <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Isotope&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     455            <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Isotope&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    454456            <span class="k">for</span> <span class="n">elem</span> <span class="ow">in</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;AtomTypes&#39;</span><span class="p">]:</span>
    455457                <span class="n">choices</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Isotopes&#39;</span><span class="p">][</span><span class="n">elem</span><span class="p">]</span><span class="o">.</span><span class="n">keys</span><span class="p">()</span>
    456                 <span class="n">isoSel</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Isotope&#39;</span><span class="p">][</span><span class="n">elem</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">choices</span><span class="p">,</span>
     458                <span class="n">isoSel</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Isotope&#39;</span><span class="p">][</span><span class="n">elem</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">choices</span><span class="p">,</span>
    457459                    <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>
    458460                <span class="n">isoSel</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span><span class="n">OnIsotope</span><span class="p">)</span>
    459461                <span class="n">Indx</span><span class="p">[</span><span class="n">isoSel</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="n">elem</span>
    460462                <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">isoSel</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">EXPAND</span><span class="p">)</span>
    461             <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; No. per cell&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     463            <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; No. per cell&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    462464            <span class="k">for</span> <span class="n">elem</span> <span class="ow">in</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;AtomTypes&#39;</span><span class="p">]:</span>
    463                 <span class="n">numbTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.1f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;NoAtoms&#39;</span><span class="p">][</span><span class="n">elem</span><span class="p">]),</span>
     465                <span class="n">numbTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.1f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;NoAtoms&#39;</span><span class="p">][</span><span class="n">elem</span><span class="p">]),</span>
    464466                    <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
    465467                <span class="n">numbTxt</span><span class="o">.</span><span class="n">SetBackgroundColour</span><span class="p">(</span><span class="n">VERY_LIGHT_GREY</span><span class="p">)</span>
    466468                <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">numbTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    467             <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Atom weight&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     469            <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Atom weight&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    468470            <span class="k">for</span> <span class="n">wt</span> <span class="ow">in</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;AtomMass&#39;</span><span class="p">]:</span>
    469                 <span class="n">wtTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">wt</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
     471                <span class="n">wtTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">wt</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
    470472                <span class="n">wtTxt</span><span class="o">.</span><span class="n">SetBackgroundColour</span><span class="p">(</span><span class="n">VERY_LIGHT_GREY</span><span class="p">)</span>
    471473                <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wtTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    472             <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Bond radii&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     474            <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Bond radii&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    473475            <span class="k">for</span> <span class="n">rad</span> <span class="ow">in</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;BondRadii&#39;</span><span class="p">]:</span>
    474                 <span class="n">bondRadii</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">rad</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
     476                <span class="n">bondRadii</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">rad</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
    475477                <span class="n">bondRadii</span><span class="o">.</span><span class="n">SetBackgroundColour</span><span class="p">(</span><span class="n">VERY_LIGHT_GREY</span><span class="p">)</span>
    476478                <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">bondRadii</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    477             <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Angle radii&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     479            <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Angle radii&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    478480            <span class="k">for</span> <span class="n">rad</span> <span class="ow">in</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;AngleRadii&#39;</span><span class="p">]:</span>
    479                 <span class="n">elemTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">rad</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
     481                <span class="n">elemTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">rad</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
    480482                <span class="n">elemTxt</span><span class="o">.</span><span class="n">SetBackgroundColour</span><span class="p">(</span><span class="n">VERY_LIGHT_GREY</span><span class="p">)</span>
    481483                <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">elemTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    482             <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; van der Waals radii&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     484            <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; van der Waals radii&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    483485            <span class="k">for</span> <span class="n">rad</span> <span class="ow">in</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;vdWRadii&#39;</span><span class="p">]:</span>
    484                 <span class="n">elemTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">rad</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
     486                <span class="n">elemTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">rad</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
    485487                <span class="n">elemTxt</span><span class="o">.</span><span class="n">SetBackgroundColour</span><span class="p">(</span><span class="n">VERY_LIGHT_GREY</span><span class="p">)</span>
    486488                <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">elemTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    487             <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Default color&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     489            <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Default color&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    488490            <span class="k">for</span> <span class="n">R</span><span class="p">,</span><span class="n">G</span><span class="p">,</span><span class="n">B</span> <span class="ow">in</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Color&#39;</span><span class="p">]:</span>
    489                 <span class="n">colorTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;&#39;</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
     491                <span class="n">colorTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;&#39;</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
    490492                <span class="n">colorTxt</span><span class="o">.</span><span class="n">SetBackgroundColour</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Colour</span><span class="p">(</span><span class="n">R</span><span class="p">,</span><span class="n">G</span><span class="p">,</span><span class="n">B</span><span class="p">))</span>
    491493                <span class="n">elemSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">colorTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     
    497499            <span class="n">density</span><span class="p">,</span><span class="n">mattCoeff</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">getDensity</span><span class="p">(</span><span class="n">generalData</span><span class="p">)</span>
    498500            <span class="n">denSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
    499             <span class="n">denSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Density: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    500             <span class="n">denTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">density</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
     501            <span class="n">denSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Density: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     502            <span class="n">denTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">density</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
    501503            <span class="n">denTxt</span><span class="o">.</span><span class="n">SetBackgroundColour</span><span class="p">(</span><span class="n">VERY_LIGHT_GREY</span><span class="p">)</span>
    502504            <span class="n">denSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">denTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    503505            <span class="n">mattTxt</span> <span class="o">=</span> <span class="bp">None</span>       
    504506            <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;macromolecular&#39;</span> <span class="ow">and</span> <span class="n">mass</span> <span class="o">&gt;</span> <span class="mf">0.0</span><span class="p">:</span>
    505                 <span class="n">denSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Matthews coeff.: &#39;</span><span class="p">),</span>
     507                <span class="n">denSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Matthews coeff.: &#39;</span><span class="p">),</span>
    506508                    <span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    507                 <span class="n">mattTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">mattCoeff</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
     509                <span class="n">mattTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">mattCoeff</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
    508510                <span class="n">mattTxt</span><span class="o">.</span><span class="n">SetBackgroundColour</span><span class="p">(</span><span class="n">VERY_LIGHT_GREY</span><span class="p">)</span>
    509511                <span class="n">denSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">mattTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     
    534536
    535537            <span class="n">pawleySizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
    536             <span class="n">pawleySizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Pawley controls: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    537             <span class="n">pawlRef</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Do Pawley refinement?&#39;</span><span class="p">)</span>
     538            <span class="n">pawleySizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Pawley controls: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     539            <span class="n">pawlRef</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Do Pawley refinement?&#39;</span><span class="p">)</span>
    538540            <span class="n">pawlRef</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;doPawley&#39;</span><span class="p">])</span>
    539541            <span class="n">pawlRef</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_CHECKBOX</span><span class="p">,</span><span class="n">OnPawleyRef</span><span class="p">)</span>
    540542            <span class="n">pawleySizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">pawlRef</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    541             <span class="n">pawleySizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Pawley dmin: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    542             <span class="n">pawlVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Pawley dmin&#39;</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
     543            <span class="n">pawleySizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Pawley dmin: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     544            <span class="n">pawlVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Pawley dmin&#39;</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
    543545            <span class="n">pawlVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnPawleyVal</span><span class="p">)</span>       
    544546            <span class="n">pawlVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnPawleyVal</span><span class="p">)</span>
    545547            <span class="n">pawleySizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">pawlVal</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    546             <span class="n">pawleySizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Pawley neg. wt.: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    547             <span class="n">pawlNegWt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Pawley neg wt&#39;</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
     548            <span class="n">pawleySizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Pawley neg. wt.: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     549            <span class="n">pawlNegWt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Pawley neg wt&#39;</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
    548550            <span class="n">pawlNegWt</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnPawleyNegWt</span><span class="p">)</span>       
    549551            <span class="n">pawlNegWt</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnPawleyNegWt</span><span class="p">)</span>
     
    587589            <span class="n">mapSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">VERTICAL</span><span class="p">)</span>
    588590            <span class="n">lineSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
    589             <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Fourier map controls: Map type: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    590             <span class="n">mapType</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;MapType&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">mapTypes</span><span class="p">,</span>
     591            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Fourier map controls: Map type: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     592            <span class="n">mapType</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;MapType&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">mapTypes</span><span class="p">,</span>
    591593                <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>
    592594            <span class="n">mapType</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span><span class="n">OnMapType</span><span class="p">)</span>
    593595            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">mapType</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    594             <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Reflection set from: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    595             <span class="n">refList</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">refList</span><span class="p">,</span>
     596            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Reflection set from: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     597            <span class="n">refList</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">refList</span><span class="p">,</span>
    596598                <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>
    597599            <span class="n">refList</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span><span class="n">OnRefList</span><span class="p">)</span>
     
    599601            <span class="n">mapSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">lineSizer</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    600602            <span class="n">line2Sizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
    601             <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Resolution: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    602             <span class="n">mapRes</span> <span class="o">=</span>  <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;Resolution&#39;</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
     603            <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Resolution: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     604            <span class="n">mapRes</span> <span class="o">=</span>  <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;Resolution&#39;</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
    603605            <span class="n">mapRes</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnResVal</span><span class="p">)</span>       
    604606            <span class="n">mapRes</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnResVal</span><span class="p">)</span>
    605607            <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">mapRes</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    606             <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Peak cutoff %: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    607             <span class="n">cutOff</span> <span class="o">=</span>  <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.1f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;cutOff&#39;</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
     608            <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Peak cutoff %: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     609            <span class="n">cutOff</span> <span class="o">=</span>  <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.1f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;cutOff&#39;</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
    608610            <span class="n">cutOff</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnCutOff</span><span class="p">)</span>       
    609611            <span class="n">cutOff</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnCutOff</span><span class="p">)</span>
     
    655657            <span class="n">flipSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">VERTICAL</span><span class="p">)</span>
    656658            <span class="n">lineSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
    657             <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Charge flip controls: Reflection set from: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    658             <span class="n">refList</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">Flip</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">refList</span><span class="p">,</span>
     659            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Charge flip controls: Reflection set from: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     660            <span class="n">refList</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">Flip</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">refList</span><span class="p">,</span>
    659661                <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>
    660662            <span class="n">refList</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span><span class="n">OnRefList</span><span class="p">)</span>
    661663            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">refList</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    662             <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Normalizing element: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    663             <span class="n">normElem</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Button</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">Flip</span><span class="p">[</span><span class="s">&#39;Norm element&#39;</span><span class="p">],</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
     664            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Normalizing element: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     665            <span class="n">normElem</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Button</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">Flip</span><span class="p">[</span><span class="s">&#39;Norm element&#39;</span><span class="p">],</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
    664666            <span class="n">normElem</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_BUTTON</span><span class="p">,</span><span class="n">OnNormElem</span><span class="p">)</span>
    665667            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">normElem</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    666668            <span class="n">flipSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">lineSizer</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    667669            <span class="n">line2Sizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
    668             <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Resolution: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    669             <span class="n">flipRes</span> <span class="o">=</span>  <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Flip</span><span class="p">[</span><span class="s">&#39;Resolution&#39;</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
     670            <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Resolution: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     671            <span class="n">flipRes</span> <span class="o">=</span>  <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Flip</span><span class="p">[</span><span class="s">&#39;Resolution&#39;</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
    670672            <span class="n">flipRes</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnResVal</span><span class="p">)</span>       
    671673            <span class="n">flipRes</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnResVal</span><span class="p">)</span>
    672674            <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">flipRes</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    673             <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; k-Factor (0.1-1.2): &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    674             <span class="n">kFactor</span> <span class="o">=</span>  <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Flip</span><span class="p">[</span><span class="s">&#39;k-factor&#39;</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
     675            <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; k-Factor (0.1-1.2): &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     676            <span class="n">kFactor</span> <span class="o">=</span>  <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Flip</span><span class="p">[</span><span class="s">&#39;k-factor&#39;</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
    675677            <span class="n">kFactor</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnkFactor</span><span class="p">)</span>       
    676678            <span class="n">kFactor</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnkFactor</span><span class="p">)</span>
    677679            <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">kFactor</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    678             <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; k-Max (&gt;=10.0): &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    679             <span class="n">kMax</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.1f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Flip</span><span class="p">[</span><span class="s">&#39;k-Max&#39;</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
     680            <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; k-Max (&gt;=10.0): &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     681            <span class="n">kMax</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.1f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Flip</span><span class="p">[</span><span class="s">&#39;k-Max&#39;</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
    680682            <span class="n">kMax</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnkMax</span><span class="p">)</span>       
    681683            <span class="n">kMax</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnkMax</span><span class="p">)</span>
     
    743745            <span class="n">mcsaSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">VERTICAL</span><span class="p">)</span>
    744746            <span class="n">lineSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
    745             <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Monte Carlo/Simulated Annealing controls: Reflection set from: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    746             <span class="n">refList</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">MCSA</span><span class="p">[</span><span class="s">&#39;Data source&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">refList</span><span class="p">,</span>
     747            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Monte Carlo/Simulated Annealing controls: Reflection set from: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     748            <span class="n">refList</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">MCSA</span><span class="p">[</span><span class="s">&#39;Data source&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">refList</span><span class="p">,</span>
    747749                <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>
    748750            <span class="n">refList</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span><span class="n">OnRefList</span><span class="p">)</span>
    749751            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">refList</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    750             <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; d-min: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    751             <span class="n">dmin</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">MCSA</span><span class="p">[</span><span class="s">&#39;dmin&#39;</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
     752            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; d-min: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     753            <span class="n">dmin</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">MCSA</span><span class="p">[</span><span class="s">&#39;dmin&#39;</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
    752754            <span class="n">dmin</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnDmin</span><span class="p">)</span>       
    753755            <span class="n">dmin</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnDmin</span><span class="p">)</span>
     
    757759            <span class="n">line2Sizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
    758760            <span class="n">Achoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Normal&#39;</span><span class="p">,</span><span class="s">&#39;Random jump&#39;</span><span class="p">,</span><span class="s">&#39;Tremayne jump&#39;</span><span class="p">]</span>
    759             <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; MC/SA algorithm: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    760             <span class="n">Alist</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">MCSA</span><span class="p">[</span><span class="s">&#39;Algolrithm&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">Achoice</span><span class="p">,</span>
     761            <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; MC/SA algorithm: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     762            <span class="n">Alist</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">MCSA</span><span class="p">[</span><span class="s">&#39;Algolrithm&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">Achoice</span><span class="p">,</span>
    761763                <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>
    762764            <span class="n">Alist</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span><span class="n">OnAlist</span><span class="p">)</span>
     
    764766            <span class="k">if</span> <span class="s">&#39;Tremayne&#39;</span> <span class="ow">in</span> <span class="n">MCSA</span><span class="p">[</span><span class="s">&#39;Algolrithm&#39;</span><span class="p">]:</span>
    765767                <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">name</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">([</span><span class="s">&#39; A-jump: &#39;</span><span class="p">,</span><span class="s">&#39; B-jump: &#39;</span><span class="p">]):</span>
    766                     <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">name</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    767                     <span class="n">Ajump</span> <span class="o">=</span>  <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">MCSA</span><span class="p">[</span><span class="s">&#39;Jump coeff&#39;</span><span class="p">][</span><span class="n">i</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
     768                    <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">name</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     769                    <span class="n">Ajump</span> <span class="o">=</span>  <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">MCSA</span><span class="p">[</span><span class="s">&#39;Jump coeff&#39;</span><span class="p">][</span><span class="n">i</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
    768770                    <span class="n">Ajump</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnAjump</span><span class="p">)</span>       
    769771                    <span class="n">Ajump</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnAjump</span><span class="p">)</span>
     
    773775            <span class="n">mcsaSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">((</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">),)</span>
    774776            <span class="n">line3Sizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
    775             <span class="n">line3Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Annealing schedule: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     777            <span class="n">line3Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Annealing schedule: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    776778            <span class="n">names</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39; Start temp: &#39;</span><span class="p">,</span><span class="s">&#39; Final temp: &#39;</span><span class="p">,</span><span class="s">&#39; Slope: &#39;</span><span class="p">,</span><span class="s">&#39; No. trials: &#39;</span><span class="p">]</span>
    777779            <span class="n">fmts</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;</span><span class="si">%.1f</span><span class="s">&#39;</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.5f</span><span class="s">&#39;</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%d</span><span class="s">&#39;</span><span class="p">]</span>
    778780            <span class="k">for</span> <span class="n">i</span><span class="p">,[</span><span class="n">name</span><span class="p">,</span><span class="n">fmt</span><span class="p">]</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="nb">zip</span><span class="p">(</span><span class="n">names</span><span class="p">,</span><span class="n">fmts</span><span class="p">)):</span>
    779                 <span class="n">line3Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">name</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    780                 <span class="n">anneal</span> <span class="o">=</span>  <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">fmt</span><span class="o">%</span><span class="p">(</span><span class="n">MCSA</span><span class="p">[</span><span class="s">&#39;Annealing&#39;</span><span class="p">][</span><span class="n">i</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
     781                <span class="n">line3Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">name</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     782                <span class="n">anneal</span> <span class="o">=</span>  <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">fmt</span><span class="o">%</span><span class="p">(</span><span class="n">MCSA</span><span class="p">[</span><span class="s">&#39;Annealing&#39;</span><span class="p">][</span><span class="n">i</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
    781783                <span class="n">anneal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnAnneal</span><span class="p">)</span>       
    782784                <span class="n">anneal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnAnneal</span><span class="p">)</span>
     
    786788            <span class="k">return</span> <span class="n">mcsaSizer</span>
    787789
    788         <span class="c"># UpdateGeneral execution starts here</span>
    789         <span class="n">General</span><span class="o">.</span><span class="n">DestroyChildren</span><span class="p">()</span>
    790         <span class="n">dataDisplay</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Panel</span><span class="p">(</span><span class="n">General</span><span class="p">)</span>
     790        <span class="c"># UpdateGeneral execution continues here</span>
     791        <span class="k">if</span> <span class="n">General</span><span class="o">.</span><span class="n">GetSizer</span><span class="p">():</span>
     792            <span class="n">General</span><span class="o">.</span><span class="n">GetSizer</span><span class="p">()</span><span class="o">.</span><span class="n">Clear</span><span class="p">(</span><span class="bp">True</span><span class="p">)</span>
    791793        <span class="n">mainSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">VERTICAL</span><span class="p">)</span>
    792794        <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">((</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">),</span><span class="mi">0</span><span class="p">)</span>
     
    803805            <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">((</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">),</span><span class="mi">0</span><span class="p">)</span>           
    804806            <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">ElemSizer</span><span class="p">())</span>
    805         <span class="n">G2gd</span><span class="o">.</span><span class="n">HorizontalLine</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">,</span><span class="n">dataDisplay</span><span class="p">)</span>
     807        <span class="n">G2gd</span><span class="o">.</span><span class="n">HorizontalLine</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">,</span><span class="n">General</span><span class="p">)</span>
    806808
    807809        <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">PawleySizer</span><span class="p">())</span>
    808         <span class="n">G2gd</span><span class="o">.</span><span class="n">HorizontalLine</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">,</span><span class="n">dataDisplay</span><span class="p">)</span>
     810        <span class="n">G2gd</span><span class="o">.</span><span class="n">HorizontalLine</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">,</span><span class="n">General</span><span class="p">)</span>
    809811       
    810812        <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">MapSizer</span><span class="p">())</span>
    811         <span class="n">G2gd</span><span class="o">.</span><span class="n">HorizontalLine</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">,</span><span class="n">dataDisplay</span><span class="p">)</span>
     813        <span class="n">G2gd</span><span class="o">.</span><span class="n">HorizontalLine</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">,</span><span class="n">General</span><span class="p">)</span>
    812814
    813815        <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">FlipSizer</span><span class="p">())</span>
    814         <span class="n">G2gd</span><span class="o">.</span><span class="n">HorizontalLine</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">,</span><span class="n">dataDisplay</span><span class="p">)</span>
     816        <span class="n">G2gd</span><span class="o">.</span><span class="n">HorizontalLine</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">,</span><span class="n">General</span><span class="p">)</span>
    815817
    816818        <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">MCSASizer</span><span class="p">())</span>
    817819
    818         <span class="n">dataDisplay</span><span class="o">.</span><span class="n">SetSizer</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">)</span>
     820        <span class="n">General</span><span class="o">.</span><span class="n">SetSizer</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">)</span>
     821        <span class="n">General</span><span class="o">.</span><span class="n">SetScrollbars</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">)</span>
     822
    819823        <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span>
    820             <span class="n">Size</span> <span class="o">=</span> <span class="n">mainSizer</span><span class="o">.</span><span class="n">ComputeFittingWindowSize</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">)</span>  <span class="c"># get size needed by window</span>
    821             <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">+=</span> <span class="mi">35</span>                           <span class="c">#compensate for status bar</span>
     824            <span class="n">Size</span> <span class="o">=</span> <span class="n">mainSizer</span><span class="o">.</span><span class="n">GetMinSize</span><span class="p">()</span>
     825            <span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">+=</span> <span class="mi">40</span>
     826            <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="mi">290</span><span class="p">)</span> <span class="o">+</span> <span class="mi">35</span>
     827            <span class="n">General</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
     828            <span class="n">General</span><span class="o">.</span><span class="n">SetScrollbars</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">4</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">1</span><span class="p">)</span>
     829            <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="nb">min</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="mi">500</span><span class="p">)</span> <span class="c"># don&#39;t let initial size get larger than 500 points</span>
    822830            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
    823831        <span class="k">else</span><span class="p">:</span>
     832            <span class="n">Size</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span>
     833            <span class="n">General</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">GetClientSize</span><span class="p">())</span>
     834            <span class="n">Size</span> <span class="o">=</span> <span class="n">mainSizer</span><span class="o">.</span><span class="n">ComputeFittingWindowSize</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">)</span>
     835            <span class="n">General</span><span class="o">.</span><span class="n">SetVirtualSize</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
     836            <span class="n">General</span><span class="o">.</span><span class="n">SetScrollbars</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">4</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">1</span><span class="p">)</span>
    824837            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Update</span><span class="p">()</span>
    825         <span class="n">dataDisplay</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">GetClientSize</span><span class="p">())</span>
    826838        <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;&#39;</span><span class="p">)</span>
    827839
     
    17751787           
    17761788    <span class="k">def</span> <span class="nf">UpdateDrawAtoms</span><span class="p">(</span><span class="n">atomStyle</span><span class="o">=</span><span class="s">&#39;&#39;</span><span class="p">):</span>
    1777         <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;&#39;</span><span class="p">)</span>
    1778         <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
    1779         <span class="n">SetupDrawingData</span><span class="p">()</span>
    1780         <span class="n">drawingData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">]</span>
    1781         <span class="n">cx</span><span class="p">,</span><span class="n">ct</span><span class="p">,</span><span class="n">cs</span><span class="p">,</span><span class="n">ci</span> <span class="o">=</span> <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;atomPtrs&#39;</span><span class="p">]</span>
    1782         <span class="n">atomData</span> <span class="o">=</span> <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">]</span>
    1783         <span class="k">if</span> <span class="n">atomStyle</span><span class="p">:</span>
    1784             <span class="k">for</span> <span class="n">atom</span> <span class="ow">in</span> <span class="n">atomData</span><span class="p">:</span>
    1785                 <span class="n">atom</span><span class="p">[</span><span class="n">cs</span><span class="p">]</span> <span class="o">=</span> <span class="n">atomStyle</span>
    1786         <span class="n">Types</span> <span class="o">=</span> <span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,]</span><span class="o">+</span><span class="mi">3</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">&#39;:10,5&#39;</span><span class="p">,]</span><span class="o">+</span> \
    1787             <span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="s">&quot;: ,lines,vdW balls,sticks,balls &amp; sticks,ellipsoids,polyhedra&quot;</span><span class="p">,</span>
    1788             <span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="s">&quot;: ,type,name,number&quot;</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,]</span>
    1789         <span class="n">styleChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39; &#39;</span><span class="p">,</span><span class="s">&#39;lines&#39;</span><span class="p">,</span><span class="s">&#39;vdW balls&#39;</span><span class="p">,</span><span class="s">&#39;sticks&#39;</span><span class="p">,</span><span class="s">&#39;balls &amp; sticks&#39;</span><span class="p">,</span><span class="s">&#39;ellipsoids&#39;</span><span class="p">,</span><span class="s">&#39;polyhedra&#39;</span><span class="p">]</span>
    1790         <span class="n">labelChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39; &#39;</span><span class="p">,</span><span class="s">&#39;type&#39;</span><span class="p">,</span><span class="s">&#39;name&#39;</span><span class="p">,</span><span class="s">&#39;number&#39;</span><span class="p">]</span>
    1791         <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">,</span><span class="s">&#39;Type&#39;</span><span class="p">,</span><span class="s">&#39;x&#39;</span><span class="p">,</span><span class="s">&#39;y&#39;</span><span class="p">,</span><span class="s">&#39;z&#39;</span><span class="p">,</span><span class="s">&#39;Sym Op&#39;</span><span class="p">,</span><span class="s">&#39;Style&#39;</span><span class="p">,</span><span class="s">&#39;Label&#39;</span><span class="p">,</span><span class="s">&#39;Color&#39;</span><span class="p">,</span><span class="s">&#39;I/A&#39;</span><span class="p">]</span>
    1792         <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;macromolecular&#39;</span><span class="p">:</span>
    1793             <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Residue&#39;</span><span class="p">,</span><span class="s">&#39;1-letter&#39;</span><span class="p">,</span><span class="s">&#39;Chain&#39;</span><span class="p">]</span> <span class="o">+</span> <span class="n">colLabels</span>
    1794             <span class="n">Types</span> <span class="o">=</span> <span class="mi">3</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,]</span><span class="o">+</span><span class="n">Types</span>
    1795             <span class="n">Types</span><span class="p">[</span><span class="mi">8</span><span class="p">]</span> <span class="o">=</span> <span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="s">&quot;: ,lines,vdW balls,sticks,balls &amp; sticks,ellipsoids,backbone,ribbons,schematic&quot;</span>
    1796             <span class="n">styleChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39; &#39;</span><span class="p">,</span><span class="s">&#39;lines&#39;</span><span class="p">,</span><span class="s">&#39;vdW balls&#39;</span><span class="p">,</span><span class="s">&#39;sticks&#39;</span><span class="p">,</span><span class="s">&#39;balls &amp; sticks&#39;</span><span class="p">,</span><span class="s">&#39;ellipsoids&#39;</span><span class="p">,</span><span class="s">&#39;backbone&#39;</span><span class="p">,</span><span class="s">&#39;ribbons&#39;</span><span class="p">,</span><span class="s">&#39;schematic&#39;</span><span class="p">]</span>
    1797             <span class="n">labelChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39; &#39;</span><span class="p">,</span><span class="s">&#39;type&#39;</span><span class="p">,</span><span class="s">&#39;name&#39;</span><span class="p">,</span><span class="s">&#39;number&#39;</span><span class="p">,</span><span class="s">&#39;residue&#39;</span><span class="p">,</span><span class="s">&#39;1-letter&#39;</span><span class="p">,</span><span class="s">&#39;chain&#39;</span><span class="p">]</span>
    1798             <span class="n">Types</span><span class="p">[</span><span class="mi">9</span><span class="p">]</span> <span class="o">=</span> <span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="s">&quot;: ,type,name,number,residue,1-letter,chain&quot;</span>
    1799 <span class="c">#        elif generalData[&#39;Type&#39;] == &#39;modulated&#39;:</span>
    1800 <span class="c">#            Types += []</span>
    1801 <span class="c">#            colLabels += []</span>
    1802 
    18031789        <span class="k">def</span> <span class="nf">RefreshAtomGrid</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
    1804 
    18051790            <span class="k">def</span> <span class="nf">SetChoice</span><span class="p">(</span><span class="n">name</span><span class="p">,</span><span class="n">c</span><span class="p">,</span><span class="n">n</span><span class="o">=</span><span class="mi">0</span><span class="p">):</span>
    18061791                <span class="n">choice</span> <span class="o">=</span> <span class="p">[]</span>
     
    19351920            <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;selectedAtoms&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">drawAtoms</span><span class="o">.</span><span class="n">GetSelectedRows</span><span class="p">()</span>
    19361921            <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotStructure</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">)</span>                   
    1937                
     1922
     1923        <span class="c"># UpdateDrawAtoms executable code starts here</span>
     1924        <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;&#39;</span><span class="p">)</span>
     1925        <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
     1926        <span class="n">SetupDrawingData</span><span class="p">()</span>
     1927        <span class="n">drawingData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">]</span>
     1928        <span class="n">cx</span><span class="p">,</span><span class="n">ct</span><span class="p">,</span><span class="n">cs</span><span class="p">,</span><span class="n">ci</span> <span class="o">=</span> <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;atomPtrs&#39;</span><span class="p">]</span>
     1929        <span class="n">atomData</span> <span class="o">=</span> <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">]</span>
     1930        <span class="k">if</span> <span class="n">atomStyle</span><span class="p">:</span>
     1931            <span class="k">for</span> <span class="n">atom</span> <span class="ow">in</span> <span class="n">atomData</span><span class="p">:</span>
     1932                <span class="n">atom</span><span class="p">[</span><span class="n">cs</span><span class="p">]</span> <span class="o">=</span> <span class="n">atomStyle</span>
     1933        <span class="n">Types</span> <span class="o">=</span> <span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,]</span><span class="o">+</span><span class="mi">3</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">&#39;:10,5&#39;</span><span class="p">,]</span><span class="o">+</span> \
     1934            <span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="s">&quot;: ,lines,vdW balls,sticks,balls &amp; sticks,ellipsoids,polyhedra&quot;</span><span class="p">,</span>
     1935            <span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="s">&quot;: ,type,name,number&quot;</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,]</span>
     1936        <span class="n">styleChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39; &#39;</span><span class="p">,</span><span class="s">&#39;lines&#39;</span><span class="p">,</span><span class="s">&#39;vdW balls&#39;</span><span class="p">,</span><span class="s">&#39;sticks&#39;</span><span class="p">,</span><span class="s">&#39;balls &amp; sticks&#39;</span><span class="p">,</span><span class="s">&#39;ellipsoids&#39;</span><span class="p">,</span><span class="s">&#39;polyhedra&#39;</span><span class="p">]</span>
     1937        <span class="n">labelChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39; &#39;</span><span class="p">,</span><span class="s">&#39;type&#39;</span><span class="p">,</span><span class="s">&#39;name&#39;</span><span class="p">,</span><span class="s">&#39;number&#39;</span><span class="p">]</span>
     1938        <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">,</span><span class="s">&#39;Type&#39;</span><span class="p">,</span><span class="s">&#39;x&#39;</span><span class="p">,</span><span class="s">&#39;y&#39;</span><span class="p">,</span><span class="s">&#39;z&#39;</span><span class="p">,</span><span class="s">&#39;Sym Op&#39;</span><span class="p">,</span><span class="s">&#39;Style&#39;</span><span class="p">,</span><span class="s">&#39;Label&#39;</span><span class="p">,</span><span class="s">&#39;Color&#39;</span><span class="p">,</span><span class="s">&#39;I/A&#39;</span><span class="p">]</span>
     1939        <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;macromolecular&#39;</span><span class="p">:</span>
     1940            <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Residue&#39;</span><span class="p">,</span><span class="s">&#39;1-letter&#39;</span><span class="p">,</span><span class="s">&#39;Chain&#39;</span><span class="p">]</span> <span class="o">+</span> <span class="n">colLabels</span>
     1941            <span class="n">Types</span> <span class="o">=</span> <span class="mi">3</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,]</span><span class="o">+</span><span class="n">Types</span>
     1942            <span class="n">Types</span><span class="p">[</span><span class="mi">8</span><span class="p">]</span> <span class="o">=</span> <span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="s">&quot;: ,lines,vdW balls,sticks,balls &amp; sticks,ellipsoids,backbone,ribbons,schematic&quot;</span>
     1943            <span class="n">styleChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39; &#39;</span><span class="p">,</span><span class="s">&#39;lines&#39;</span><span class="p">,</span><span class="s">&#39;vdW balls&#39;</span><span class="p">,</span><span class="s">&#39;sticks&#39;</span><span class="p">,</span><span class="s">&#39;balls &amp; sticks&#39;</span><span class="p">,</span><span class="s">&#39;ellipsoids&#39;</span><span class="p">,</span><span class="s">&#39;backbone&#39;</span><span class="p">,</span><span class="s">&#39;ribbons&#39;</span><span class="p">,</span><span class="s">&#39;schematic&#39;</span><span class="p">]</span>
     1944            <span class="n">labelChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39; &#39;</span><span class="p">,</span><span class="s">&#39;type&#39;</span><span class="p">,</span><span class="s">&#39;name&#39;</span><span class="p">,</span><span class="s">&#39;number&#39;</span><span class="p">,</span><span class="s">&#39;residue&#39;</span><span class="p">,</span><span class="s">&#39;1-letter&#39;</span><span class="p">,</span><span class="s">&#39;chain&#39;</span><span class="p">]</span>
     1945            <span class="n">Types</span><span class="p">[</span><span class="mi">9</span><span class="p">]</span> <span class="o">=</span> <span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="s">&quot;: ,type,name,number,residue,1-letter,chain&quot;</span>
     1946<span class="c">#        elif generalData[&#39;Type&#39;] == &#39;modulated&#39;:</span>
     1947<span class="c">#            Types += []</span>
     1948<span class="c">#            colLabels += []</span>
    19381949        <span class="n">table</span> <span class="o">=</span> <span class="p">[]</span>
    19391950        <span class="n">rowLabels</span> <span class="o">=</span> <span class="p">[]</span>
     
    19691980           <span class="k">if</span> <span class="n">colLabels</span><span class="p">[</span><span class="n">c</span><span class="p">]</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;Style&#39;</span><span class="p">,</span><span class="s">&#39;Label&#39;</span><span class="p">,</span><span class="s">&#39;Color&#39;</span><span class="p">]:</span>
    19701981                <span class="n">drawAtoms</span><span class="o">.</span><span class="n">SetColAttr</span><span class="p">(</span><span class="n">c</span><span class="p">,</span><span class="n">attr</span><span class="p">)</span>
    1971         <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">([</span><span class="mi">600</span><span class="p">,</span><span class="mi">300</span><span class="p">])</span>
     1982        <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span>
     1983            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">([</span><span class="mi">600</span><span class="p">,</span><span class="mi">300</span><span class="p">])</span>
     1984        <span class="k">else</span><span class="p">:</span>
     1985            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Update</span><span class="p">()</span>
    19721986       
    19731987        <span class="n">FindBondsDraw</span><span class="p">()</span>
     
    24982512        <span class="kn">import</span> <span class="nn">copy</span>
    24992513        <span class="kn">import</span> <span class="nn">wx.lib.colourselect</span> <span class="kn">as</span> <span class="nn">wcs</span>
    2500         <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
    2501         <span class="n">Amat</span><span class="p">,</span><span class="n">Bmat</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">cell2AB</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Cell&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">:</span><span class="mi">7</span><span class="p">])</span>
    2502         <span class="n">SetupDrawingData</span><span class="p">()</span>
    2503         <span class="n">drawingData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">]</span>
    2504         <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;nuclear&#39;</span><span class="p">:</span>
    2505             <span class="n">pickChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">,</span><span class="s">&#39;Bonds&#39;</span><span class="p">,</span><span class="s">&#39;Torsions&#39;</span><span class="p">,</span><span class="s">&#39;Planes&#39;</span><span class="p">]</span>
    2506         <span class="k">elif</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;macromolecular&#39;</span><span class="p">:</span>
    2507             <span class="n">pickChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">,</span><span class="s">&#39;Residues&#39;</span><span class="p">,</span><span class="s">&#39;Chains&#39;</span><span class="p">,</span><span class="s">&#39;Bonds&#39;</span><span class="p">,</span><span class="s">&#39;Torsions&#39;</span><span class="p">,</span><span class="s">&#39;Planes&#39;</span><span class="p">,</span><span class="s">&#39;phi/psi&#39;</span><span class="p">]</span>
    2508 
    2509         <span class="k">def</span> <span class="nf">SlopSizer</span><span class="p">():</span>
    2510            
     2514        <span class="k">def</span> <span class="nf">SlopSizer</span><span class="p">():</span>           
    25112515            <span class="k">def</span> <span class="nf">OnCameraPos</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
    25122516                <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;cameraPos&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">cameraPos</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
     
    25392543                <span class="n">VP</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">inner</span><span class="p">(</span><span class="n">Bmat</span><span class="p">,</span><span class="n">VP</span><span class="p">)</span>
    25402544                <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;viewPoint&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">VP</span>
    2541                 <span class="n">panel</span> <span class="o">=</span> <span class="n">dataDisplay</span><span class="o">.</span><span class="n">GetChildren</span><span class="p">()</span>
     2545                <span class="n">panel</span> <span class="o">=</span> <span class="n">drawOptions</span><span class="o">.</span><span class="n">GetChildren</span><span class="p">()</span>
    25422546                <span class="n">names</span> <span class="o">=</span> <span class="p">[</span><span class="n">child</span><span class="o">.</span><span class="n">GetName</span><span class="p">()</span> <span class="k">for</span> <span class="n">child</span> <span class="ow">in</span> <span class="n">panel</span><span class="p">]</span>
    25432547                <span class="n">panel</span><span class="p">[</span><span class="n">names</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">&#39;viewPoint&#39;</span><span class="p">)]</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">VP</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">VP</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">VP</span><span class="p">[</span><span class="mi">2</span><span class="p">]))</span>               
     
    25792583            <span class="n">slideSizer</span><span class="o">.</span><span class="n">AddGrowableCol</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">)</span>
    25802584   
    2581             <span class="n">cameraPosTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span>
     2585            <span class="n">cameraPosTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span>
    25822586                <span class="s">&#39; Camera Distance: &#39;</span><span class="o">+</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;cameraPos&#39;</span><span class="p">]),</span><span class="n">name</span><span class="o">=</span><span class="s">&#39;cameraPos&#39;</span><span class="p">)</span>
    25832587            <span class="n">slideSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">cameraPosTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    2584             <span class="n">cameraPos</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Slider</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SL_HORIZONTAL</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;cameraPos&#39;</span><span class="p">],</span><span class="n">name</span><span class="o">=</span><span class="s">&#39;cameraSlider&#39;</span><span class="p">)</span>
     2588            <span class="n">cameraPos</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Slider</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SL_HORIZONTAL</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;cameraPos&#39;</span><span class="p">],</span><span class="n">name</span><span class="o">=</span><span class="s">&#39;cameraSlider&#39;</span><span class="p">)</span>
    25852589            <span class="n">cameraPos</span><span class="o">.</span><span class="n">SetRange</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">500</span><span class="p">)</span>
    25862590            <span class="n">cameraPos</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_SLIDER</span><span class="p">,</span> <span class="n">OnCameraPos</span><span class="p">)</span>
    25872591            <span class="n">slideSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">cameraPos</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">EXPAND</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">RIGHT</span><span class="p">)</span>
    25882592           
    2589             <span class="n">ZclipTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Z clipping: &#39;</span><span class="o">+</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">A&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;Zclip&#39;</span><span class="p">]</span><span class="o">*</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;cameraPos&#39;</span><span class="p">]</span><span class="o">/</span><span class="mf">100.</span><span class="p">))</span>
     2593            <span class="n">ZclipTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Z clipping: &#39;</span><span class="o">+</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">A&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;Zclip&#39;</span><span class="p">]</span><span class="o">*</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;cameraPos&#39;</span><span class="p">]</span><span class="o">/</span><span class="mf">100.</span><span class="p">))</span>
    25902594            <span class="n">slideSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">ZclipTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    2591             <span class="n">Zclip</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Slider</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SL_HORIZONTAL</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;Zclip&#39;</span><span class="p">])</span>
     2595            <span class="n">Zclip</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Slider</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SL_HORIZONTAL</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;Zclip&#39;</span><span class="p">])</span>
    25922596            <span class="n">Zclip</span><span class="o">.</span><span class="n">SetRange</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span><span class="mi">99</span><span class="p">)</span>
    25932597            <span class="n">Zclip</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_SLIDER</span><span class="p">,</span> <span class="n">OnZclip</span><span class="p">)</span>
     
    25952599           
    25962600            <span class="n">ZstepSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
    2597             <span class="n">ZstepSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Z step:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    2598             <span class="n">Zstep</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;Zstep&#39;</span><span class="p">]),</span>
     2601            <span class="n">ZstepSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Z step:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     2602            <span class="n">Zstep</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;Zstep&#39;</span><span class="p">]),</span>
    25992603                <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
    26002604            <span class="n">Zstep</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnZstep</span><span class="p">)</span>
     
    26032607            <span class="n">slideSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">ZstepSizer</span><span class="p">)</span>
    26042608            <span class="n">MoveSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
    2605             <span class="n">MoveSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;   Press to step:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    2606             <span class="n">MoveZ</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">SpinButton</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SP_HORIZONTAL</span><span class="p">,</span><span class="n">size</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">Size</span><span class="p">(</span><span class="mi">100</span><span class="p">,</span><span class="mi">20</span><span class="p">))</span>
     2609            <span class="n">MoveSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;   Press to step:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     2610            <span class="n">MoveZ</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">SpinButton</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SP_HORIZONTAL</span><span class="p">,</span><span class="n">size</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">Size</span><span class="p">(</span><span class="mi">100</span><span class="p">,</span><span class="mi">20</span><span class="p">))</span>
    26072611            <span class="n">MoveZ</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
    26082612            <span class="n">MoveZ</span><span class="o">.</span><span class="n">SetRange</span><span class="p">(</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">)</span>
     
    26112615            <span class="n">slideSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">MoveSizer</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">EXPAND</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">RIGHT</span><span class="p">)</span>
    26122616           
    2613             <span class="n">vdwScaleTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; van der Waals scale: &#39;</span><span class="o">+</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;vdwScale&#39;</span><span class="p">]))</span>
     2617            <span class="n">vdwScaleTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; van der Waals scale: &#39;</span><span class="o">+</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;vdwScale&#39;</span><span class="p">]))</span>
    26142618            <span class="n">slideSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">vdwScaleTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    2615             <span class="n">vdwScale</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Slider</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SL_HORIZONTAL</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="nb">int</span><span class="p">(</span><span class="mi">100</span><span class="o">*</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;vdwScale&#39;</span><span class="p">]))</span>
     2619            <span class="n">vdwScale</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Slider</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SL_HORIZONTAL</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="nb">int</span><span class="p">(</span><span class="mi">100</span><span class="o">*</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;vdwScale&#39;</span><span class="p">]))</span>
    26162620            <span class="n">vdwScale</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_SLIDER</span><span class="p">,</span> <span class="n">OnVdWScale</span><span class="p">)</span>
    26172621            <span class="n">slideSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">vdwScale</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">EXPAND</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">RIGHT</span><span class="p">)</span>
    26182622   
    2619             <span class="n">ellipseProbTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Ellipsoid probability: &#39;</span><span class="o">+</span><span class="s">&#39;</span><span class="si">%d%%</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;ellipseProb&#39;</span><span class="p">]))</span>
     2623            <span class="n">ellipseProbTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Ellipsoid probability: &#39;</span><span class="o">+</span><span class="s">&#39;</span><span class="si">%d%%</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;ellipseProb&#39;</span><span class="p">]))</span>
    26202624            <span class="n">slideSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">ellipseProbTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    2621             <span class="n">ellipseProb</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Slider</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SL_HORIZONTAL</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;ellipseProb&#39;</span><span class="p">])</span>
     2625            <span class="n">ellipseProb</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Slider</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SL_HORIZONTAL</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;ellipseProb&#39;</span><span class="p">])</span>
    26222626            <span class="n">ellipseProb</span><span class="o">.</span><span class="n">SetRange</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span><span class="mi">99</span><span class="p">)</span>
    26232627            <span class="n">ellipseProb</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_SLIDER</span><span class="p">,</span> <span class="n">OnEllipseProb</span><span class="p">)</span>
    26242628            <span class="n">slideSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">ellipseProb</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">EXPAND</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">RIGHT</span><span class="p">)</span>
    26252629   
    2626             <span class="n">ballScaleTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Ball scale: &#39;</span><span class="o">+</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;ballScale&#39;</span><span class="p">]))</span>
     2630            <span class="n">ballScaleTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Ball scale: &#39;</span><span class="o">+</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;ballScale&#39;</span><span class="p">]))</span>
    26272631            <span class="n">slideSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">ballScaleTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    2628             <span class="n">ballScale</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Slider</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SL_HORIZONTAL</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="nb">int</span><span class="p">(</span><span class="mi">100</span><span class="o">*</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;ballScale&#39;</span><span class="p">]))</span>
     2632            <span class="n">ballScale</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Slider</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SL_HORIZONTAL</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="nb">int</span><span class="p">(</span><span class="mi">100</span><span class="o">*</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;ballScale&#39;</span><span class="p">]))</span>
    26292633            <span class="n">ballScale</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_SLIDER</span><span class="p">,</span> <span class="n">OnBallScale</span><span class="p">)</span>
    26302634            <span class="n">slideSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">ballScale</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">EXPAND</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">RIGHT</span><span class="p">)</span>
    26312635   
    2632             <span class="n">bondRadiusTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Bond radius, A: &#39;</span><span class="o">+</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;bondRadius&#39;</span><span class="p">]))</span>
     2636            <span class="n">bondRadiusTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Bond radius, A: &#39;</span><span class="o">+</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;bondRadius&#39;</span><span class="p">]))</span>
    26332637            <span class="n">slideSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">bondRadiusTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    2634             <span class="n">bondRadius</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Slider</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SL_HORIZONTAL</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="nb">int</span><span class="p">(</span><span class="mi">100</span><span class="o">*</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;bondRadius&#39;</span><span class="p">]))</span>
     2638            <span class="n">bondRadius</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Slider</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SL_HORIZONTAL</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="nb">int</span><span class="p">(</span><span class="mi">100</span><span class="o">*</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;bondRadius&#39;</span><span class="p">]))</span>
    26352639            <span class="n">bondRadius</span><span class="o">.</span><span class="n">SetRange</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span><span class="mi">25</span><span class="p">)</span>
    26362640            <span class="n">bondRadius</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_SLIDER</span><span class="p">,</span> <span class="n">OnBondRadius</span><span class="p">)</span>
     
    26382642           
    26392643            <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Map&#39;</span><span class="p">][</span><span class="s">&#39;rhoMax&#39;</span><span class="p">]:</span>
    2640                 <span class="n">contourLevelTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Contour level: &#39;</span><span class="o">+</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;contourLevel&#39;</span><span class="p">]</span><span class="o">*</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Map&#39;</span><span class="p">][</span><span class="s">&#39;rhoMax&#39;</span><span class="p">]))</span>
     2644                <span class="n">contourLevelTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Contour level: &#39;</span><span class="o">+</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;contourLevel&#39;</span><span class="p">]</span><span class="o">*</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Map&#39;</span><span class="p">][</span><span class="s">&#39;rhoMax&#39;</span><span class="p">]))</span>
    26412645                <span class="n">slideSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">contourLevelTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    2642                 <span class="n">contourLevel</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Slider</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SL_HORIZONTAL</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="nb">int</span><span class="p">(</span><span class="mi">100</span><span class="o">*</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;contourLevel&#39;</span><span class="p">]))</span>
     2646                <span class="n">contourLevel</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Slider</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SL_HORIZONTAL</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="nb">int</span><span class="p">(</span><span class="mi">100</span><span class="o">*</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;contourLevel&#39;</span><span class="p">]))</span>
    26432647                <span class="n">contourLevel</span><span class="o">.</span><span class="n">SetRange</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span><span class="mi">100</span><span class="p">)</span>
    26442648                <span class="n">contourLevel</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_SLIDER</span><span class="p">,</span> <span class="n">OnContourLevel</span><span class="p">)</span>
    26452649                <span class="n">slideSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">contourLevel</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">EXPAND</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">RIGHT</span><span class="p">)</span>
    2646                 <span class="n">mapSizeTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Map radius, A: &#39;</span><span class="o">+</span><span class="s">&#39;</span><span class="si">%.1f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;mapSize&#39;</span><span class="p">]))</span>
     2650                <span class="n">mapSizeTxt</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Map radius, A: &#39;</span><span class="o">+</span><span class="s">&#39;</span><span class="si">%.1f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;mapSize&#39;</span><span class="p">]))</span>
    26472651                <span class="n">slideSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">mapSizeTxt</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    2648                 <span class="n">mapSize</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Slider</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SL_HORIZONTAL</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="nb">int</span><span class="p">(</span><span class="mi">10</span><span class="o">*</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;mapSize&#39;</span><span class="p">]))</span>
     2652                <span class="n">mapSize</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Slider</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">SL_HORIZONTAL</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="nb">int</span><span class="p">(</span><span class="mi">10</span><span class="o">*</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;mapSize&#39;</span><span class="p">]))</span>
    26492653                <span class="n">mapSize</span><span class="o">.</span><span class="n">SetRange</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span><span class="mi">100</span><span class="p">)</span>
    26502654                <span class="n">mapSize</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_SLIDER</span><span class="p">,</span> <span class="n">OnMapSize</span><span class="p">)</span>
     
    27152719            <span class="n">showSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">VERTICAL</span><span class="p">)</span>           
    27162720            <span class="n">lineSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
    2717             <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Background color:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    2718             <span class="n">backColor</span> <span class="o">=</span> <span class="n">wcs</span><span class="o">.</span><span class="n">ColourSelect</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span> <span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">colour</span><span class="o">=</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;backColor&#39;</span><span class="p">],</span><span class="n">size</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">Size</span><span class="p">(</span><span class="mi">25</span><span class="p">,</span><span class="mi">25</span><span class="p">))</span>
     2721            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Background color:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     2722            <span class="n">backColor</span> <span class="o">=</span> <span class="n">wcs</span><span class="o">.</span><span class="n">ColourSelect</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span> <span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">colour</span><span class="o">=</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;backColor&#39;</span><span class="p">],</span><span class="n">size</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">Size</span><span class="p">(</span><span class="mi">25</span><span class="p">,</span><span class="mi">25</span><span class="p">))</span>
    27192723            <span class="n">backColor</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wcs</span><span class="o">.</span><span class="n">EVT_COLOURSELECT</span><span class="p">,</span> <span class="n">OnBackColor</span><span class="p">)</span>
    27202724            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">backColor</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    2721             <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; View Dir.:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     2725            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; View Dir.:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    27222726            <span class="n">VD</span> <span class="o">=</span> <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;viewDir&#39;</span><span class="p">]</span>
    2723             <span class="n">viewDir</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">VD</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">VD</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">VD</span><span class="p">[</span><span class="mi">2</span><span class="p">]),</span>
     2727            <span class="n">viewDir</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">VD</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">VD</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">VD</span><span class="p">[</span><span class="mi">2</span><span class="p">]),</span>
    27242728                <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">,</span><span class="n">size</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">Size</span><span class="p">(</span><span class="mi">140</span><span class="p">,</span><span class="mi">20</span><span class="p">),</span><span class="n">name</span><span class="o">=</span><span class="s">&#39;viewDir&#39;</span><span class="p">)</span>
    27252729            <span class="n">viewDir</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnViewDir</span><span class="p">)</span>
     
    27302734           
    27312735            <span class="n">lineSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
    2732             <span class="n">showABC</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Show view point?&#39;</span><span class="p">)</span>
     2736            <span class="n">showABC</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Show view point?&#39;</span><span class="p">)</span>
    27332737            <span class="n">showABC</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_CHECKBOX</span><span class="p">,</span> <span class="n">OnShowABC</span><span class="p">)</span>
    27342738            <span class="n">showABC</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;showABC&#39;</span><span class="p">])</span>
    27352739            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">showABC</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    2736             <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; View Point:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     2740            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; View Point:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    27372741            <span class="n">VP</span> <span class="o">=</span> <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;viewPoint&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span>
    2738             <span class="n">viewPoint</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">VP</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">VP</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">VP</span><span class="p">[</span><span class="mi">2</span><span class="p">]),</span>
     2742            <span class="n">viewPoint</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">VP</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">VP</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">VP</span><span class="p">[</span><span class="mi">2</span><span class="p">]),</span>
    27392743                <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">,</span><span class="n">size</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">Size</span><span class="p">(</span><span class="mi">140</span><span class="p">,</span><span class="mi">20</span><span class="p">),</span><span class="n">name</span><span class="o">=</span><span class="s">&#39;viewPoint&#39;</span><span class="p">)</span>
    27402744            <span class="n">viewPoint</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnViewPoint</span><span class="p">)</span>
     
    27462750            <span class="n">line2Sizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
    27472751   
    2748             <span class="n">unitCellBox</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Show unit cell?&#39;</span><span class="p">)</span>
     2752            <span class="n">unitCellBox</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Show unit cell?&#39;</span><span class="p">)</span>
    27492753            <span class="n">unitCellBox</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_CHECKBOX</span><span class="p">,</span> <span class="n">OnShowUnitCell</span><span class="p">)</span>
    27502754            <span class="n">unitCellBox</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;unitCellBox&#39;</span><span class="p">])</span>
    27512755            <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">unitCellBox</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    27522756   
    2753             <span class="n">showHydrogen</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Show hydrogens?&#39;</span><span class="p">)</span>
     2757            <span class="n">showHydrogen</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Show hydrogens?&#39;</span><span class="p">)</span>
    27542758            <span class="n">showHydrogen</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_CHECKBOX</span><span class="p">,</span> <span class="n">OnShowHyd</span><span class="p">)</span>
    27552759            <span class="n">showHydrogen</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;showHydrogen&#39;</span><span class="p">])</span>
    27562760            <span class="n">line2Sizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">showHydrogen</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    27572761           
    2758             <span class="n">showRB</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Show rigid Bodies?&#39;</span><span class="p">)</span>
     2762            <span class="n">showRB</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Show rigid Bodies?&#39;</span><span class="p">)</span>
    27592763            <span class="n">showRB</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_CHECKBOX</span><span class="p">,</span> <span class="n">OnShowRB</span><span class="p">)</span>
    27602764            <span class="n">showRB</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;showRigidBodies&#39;</span><span class="p">])</span>
     
    27862790           
    27872791            <span class="n">radSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
    2788             <span class="n">radSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Hydrogen radius, A:  &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    2789             <span class="n">sizeH</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;sizeH&#39;</span><span class="p">]),</span><span class="n">size</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">Size</span><span class="p">(</span><span class="mi">60</span><span class="p">,</span><span class="mi">20</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
     2792            <span class="n">radSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Hydrogen radius, A:  &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     2793            <span class="n">sizeH</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;sizeH&#39;</span><span class="p">]),</span><span class="n">size</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">Size</span><span class="p">(</span><span class="mi">60</span><span class="p">,</span><span class="mi">20</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
    27902794            <span class="n">sizeH</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnSizeHatoms</span><span class="p">)</span>
    27912795            <span class="n">sizeH</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnSizeHatoms</span><span class="p">)</span>
    27922796            <span class="n">radSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">sizeH</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    27932797   
    2794             <span class="n">radSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Bond search factor:  &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    2795             <span class="n">radFactor</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;radiusFactor&#39;</span><span class="p">]),</span><span class="n">size</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">Size</span><span class="p">(</span><span class="mi">60</span><span class="p">,</span><span class="mi">20</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
     2798            <span class="n">radSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Bond search factor:  &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     2799            <span class="n">radFactor</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;radiusFactor&#39;</span><span class="p">]),</span><span class="n">size</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">Size</span><span class="p">(</span><span class="mi">60</span><span class="p">,</span><span class="mi">20</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
    27962800            <span class="n">radFactor</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnRadFactor</span><span class="p">)</span>
    27972801            <span class="n">radFactor</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnRadFactor</span><span class="p">)</span>
     
    27992803            <span class="k">return</span> <span class="n">radSizer</span>
    28002804
     2805        <span class="c"># UpdateDrawOptions exectable code starts here</span>
     2806        <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
     2807        <span class="n">Amat</span><span class="p">,</span><span class="n">Bmat</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">cell2AB</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Cell&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">:</span><span class="mi">7</span><span class="p">])</span>
     2808        <span class="n">SetupDrawingData</span><span class="p">()</span>
     2809        <span class="n">drawingData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">]</span>
     2810        <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;nuclear&#39;</span><span class="p">:</span>
     2811            <span class="n">pickChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">,</span><span class="s">&#39;Bonds&#39;</span><span class="p">,</span><span class="s">&#39;Torsions&#39;</span><span class="p">,</span><span class="s">&#39;Planes&#39;</span><span class="p">]</span>
     2812        <span class="k">elif</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;macromolecular&#39;</span><span class="p">:</span>
     2813            <span class="n">pickChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">,</span><span class="s">&#39;Residues&#39;</span><span class="p">,</span><span class="s">&#39;Chains&#39;</span><span class="p">,</span><span class="s">&#39;Bonds&#39;</span><span class="p">,</span><span class="s">&#39;Torsions&#39;</span><span class="p">,</span><span class="s">&#39;Planes&#39;</span><span class="p">,</span><span class="s">&#39;phi/psi&#39;</span><span class="p">]</span>
     2814
    28012815        <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;&#39;</span><span class="p">)</span>
    2802         <span class="n">drawOptions</span><span class="o">.</span><span class="n">DestroyChildren</span><span class="p">()</span>
    2803         <span class="n">dataDisplay</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Panel</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">)</span>
     2816        <span class="k">if</span> <span class="n">drawOptions</span><span class="o">.</span><span class="n">GetSizer</span><span class="p">():</span>
     2817            <span class="n">drawOptions</span><span class="o">.</span><span class="n">GetSizer</span><span class="p">()</span><span class="o">.</span><span class="n">Clear</span><span class="p">(</span><span class="bp">True</span><span class="p">)</span>
    28042818        <span class="n">mainSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">VERTICAL</span><span class="p">)</span>
    28052819        <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">((</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">),</span><span class="mi">0</span><span class="p">)</span>
    2806         <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">dataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Drawing controls:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
     2820        <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Drawing controls:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    28072821        <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">((</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">),</span><span class="mi">0</span><span class="p">)</span>       
    28082822        <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">SlopSizer</span><span class="p">(),</span><span class="mi">0</span><span class="p">)</span>
     
    28122826        <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">RadSizer</span><span class="p">(),</span><span class="mi">0</span><span class="p">,)</span>
    28132827
    2814         <span class="n">dataDisplay</span><span class="o">.</span><span class="n">SetSizer</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">)</span>
    2815         <span class="n">Size</span> <span class="o">=</span> <span class="n">mainSizer</span><span class="o">.</span><span class="n">Fit</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">)</span>
    2816         <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">+=</span> <span class="mi">35</span>                           <span class="c">#compensate for status bar</span>
    2817         <span class="n">dataDisplay</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
    2818         <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
     2828        <span class="n">drawOptions</span><span class="o">.</span><span class="n">SetSizer</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">)</span>
     2829        <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span>
     2830            <span class="n">Size</span> <span class="o">=</span> <span class="n">mainSizer</span><span class="o">.</span><span class="n">Fit</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">)</span>
     2831            <span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">+</span><span class="mi">35</span><span class="p">,</span><span class="mi">500</span><span class="p">)</span>           <span class="c"># leave some extra room and don&#39;t get too small</span>
     2832            <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">+</span><span class="mi">35</span><span class="p">,</span><span class="mi">350</span><span class="p">)</span>                           <span class="c">#compensate for status bar</span>
     2833            <span class="n">drawOptions</span><span class="o">.</span><span class="n">SetScrollbars</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">4</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">1</span><span class="p">)</span>
     2834            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
     2835        <span class="k">else</span><span class="p">:</span>
     2836            <span class="n">Size</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span>
     2837            <span class="n">drawOptions</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">GetClientSize</span><span class="p">())</span>
     2838            <span class="n">Size</span> <span class="o">=</span> <span class="n">mainSizer</span><span class="o">.</span><span class="n">ComputeFittingWindowSize</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">)</span>
     2839            <span class="n">drawOptions</span><span class="o">.</span><span class="n">SetVirtualSize</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
     2840            <span class="n">drawOptions</span><span class="o">.</span><span class="n">SetScrollbars</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">4</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">1</span><span class="p">)</span>
     2841            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Update</span><span class="p">()</span>
     2842        <span class="n">drawOptions</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">GetClientSize</span><span class="p">())</span>
    28192843
    28202844<span class="c">################################################################################</span>
     
    28222846<span class="c">################################################################################</span>
    28232847       
    2824     <span class="k">def</span> <span class="nf">UpdateTexture</span><span class="p">():</span>
    2825         <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;&#39;</span><span class="p">)</span>
    2826         <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>       
    2827         <span class="n">SGData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">]</span>
    2828         <span class="k">try</span><span class="p">:</span>
    2829             <span class="n">textureData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SH Texture&#39;</span><span class="p">]</span>
    2830         <span class="k">except</span> <span class="ne">KeyError</span><span class="p">:</span>            <span class="c">#fix old files!</span>
    2831             <span class="n">textureData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SH Texture&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">{</span><span class="s">&#39;Order&#39;</span><span class="p">:</span><span class="mi">0</span><span class="p">,</span><span class="s">&#39;Model&#39;</span><span class="p">:</span><span class="s">&#39;cylindrical&#39;</span><span class="p">,</span>
    2832                 <span class="s">&#39;Sample omega&#39;</span><span class="p">:[</span><span class="bp">False</span><span class="p">,</span><span class="mf">0.0</span><span class="p">],</span><span class="s">&#39;Sample chi&#39;</span><span class="p">:[</span><span class="bp">False</span><span class="p">,</span><span class="mf">0.0</span><span class="p">],</span><span class="s">&#39;Sample phi&#39;</span><span class="p">:[</span><span class="bp">False</span><span class="p">,</span><span class="mf">0.0</span><span class="p">],</span>
    2833                 <span class="s">&#39;SH Coeff&#39;</span><span class="p">:[</span><span class="bp">False</span><span class="p">,{}],</span><span class="s">&#39;SHShow&#39;</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">&#39;PFhkl&#39;</span><span class="p">:[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],</span>
    2834                 <span class="s">&#39;PFxyz&#39;</span><span class="p">:[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mf">1.</span><span class="p">],</span><span class="s">&#39;PlotType&#39;</span><span class="p">:</span><span class="s">&#39;Pole figure&#39;</span><span class="p">}</span>
    2835         <span class="k">if</span> <span class="s">&#39;SHShow&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">textureData</span><span class="p">:</span>     <span class="c">#another fix</span>
    2836             <span class="n">textureData</span><span class="o">.</span><span class="n">update</span><span class="p">({</span><span class="s">&#39;SHShow&#39;</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">&#39;PFhkl&#39;</span><span class="p">:[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],</span><span class="s">&#39;PFxyz&#39;</span><span class="p">:[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mf">1.</span><span class="p">],</span><span class="s">&#39;PlotType&#39;</span><span class="p">:</span><span class="s">&#39;Pole figure&#39;</span><span class="p">})</span>
    2837         <span class="k">try</span><span class="p">:</span>                        <span class="c">#another fix!</span>
    2838             <span class="n">x</span> <span class="o">=</span> <span class="n">textureData</span><span class="p">[</span><span class="s">&#39;PlotType&#39;</span><span class="p">]</span>
    2839         <span class="k">except</span> <span class="ne">KeyError</span><span class="p">:</span>
    2840             <span class="n">textureData</span><span class="o">.</span><span class="n">update</span><span class="p">({</span><span class="s">&#39;PFxyz&#39;</span><span class="p">:[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mf">1.</span><span class="p">],</span><span class="s">&#39;PlotType&#39;</span><span class="p">:</span><span class="s">&#39;Pole figure&#39;</span><span class="p">})</span>
    2841         <span class="n">shModels</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;cylindrical&#39;</span><span class="p">,</span><span class="s">&#39;none&#39;</span><span class="p">,</span><span class="s">&#39;shear - 2/m&#39;</span><span class="p">,</span><span class="s">&#39;rolling - mmm&#39;</span><span class="p">]</span>
    2842         <span class="n">SamSym</span> <span class="o">=</span> <span class="nb">dict</span><span class="p">(</span><span class="nb">zip</span><span class="p">(</span><span class="n">shModels</span><span class="p">,[</span><span class="s">&#39;0&#39;</span><span class="p">,</span><span class="s">&#39;-1&#39;</span><span class="p">,</span><span class="s">&#39;2/m&#39;</span><span class="p">,</span><span class="s">&#39;mmm&#39;</span><span class="p">]))</span>
    2843         <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;doPawley&#39;</span><span class="p">]</span> <span class="ow">and</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">root</span><span class="p">,</span><span class="s">&#39;Sequental results&#39;</span><span class="p">):</span>
    2844             <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">RefineTexture</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="bp">True</span><span class="p">)</span>
    2845         <span class="n">shAngles</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;omega&#39;</span><span class="p">,</span><span class="s">&#39;chi&#39;</span><span class="p">,</span><span class="s">&#39;phi&#39;</span><span class="p">]</span>
    2846        
     2848    <span class="k">def</span> <span class="nf">UpdateTexture</span><span class="p">():</span>       
    28472849        <span class="k">def</span> <span class="nf">SetSHCoef</span><span class="p">():</span>
    28482850            <span class="n">cofNames</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">GenSHCoeff</span><span class="p">(</span><span class="n">SGData</span><span class="p">[</span><span class="s">&#39;SGLaue&#39;</span><span class="p">],</span><span class="n">SamSym</span><span class="p">[</span><span class="n">textureData</span><span class="p">[</span><span class="s">&#39;Model&#39;</span><span class="p">]],</span><span class="n">textureData</span><span class="p">[</span><span class="s">&#39;Order&#39;</span><span class="p">])</span>
     
    29392941            <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotTexture</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">)</span>
    29402942
     2943        <span class="c"># UpdateTexture executable starts here</span>
     2944        <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;&#39;</span><span class="p">)</span>
     2945        <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>       
     2946        <span class="n">SGData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">]</span>
     2947        <span class="k">try</span><span class="p">:</span>
     2948            <span class="n">textureData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SH Texture&#39;</span><span class="p">]</span>
     2949        <span class="k">except</span> <span class="ne">KeyError</span><span class="p">:</span>            <span class="c">#fix old files!</span>
     2950            <span class="n">textureData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SH Texture&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">{</span><span class="s">&#39;Order&#39;</span><span class="p">:</span><span class="mi">0</span><span class="p">,</span><span class="s">&#39;Model&#39;</span><span class="p">:</span><span class="s">&#39;cylindrical&#39;</span><span class="p">,</span>
     2951                <span class="s">&#39;Sample omega&#39;</span><span class="p">:[</span><span class="bp">False</span><span class="p">,</span><span class="mf">0.0</span><span class="p">],</span><span class="s">&#39;Sample chi&#39;</span><span class="p">:[</span><span class="bp">False</span><span class="p">,</span><span class="mf">0.0</span><span class="p">],</span><span class="s">&#39;Sample phi&#39;</span><span class="p">:[</span><span class="bp">False</span><span class="p">,</span><span class="mf">0.0</span><span class="p">],</span>
     2952                <span class="s">&#39;SH Coeff&#39;</span><span class="p">:[</span><span class="bp">False</span><span class="p">,{}],</span><span class="s">&#39;SHShow&#39;</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">&#39;PFhkl&#39;</span><span class="p">:[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],</span>
     2953                <span class="s">&#39;PFxyz&#39;</span><span class="p">:[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mf">1.</span><span class="p">],</span><span class="s">&#39;PlotType&#39;</span><span class="p">:</span><span class="s">&#39;Pole figure&#39;</span><span class="p">}</span>
     2954        <span class="k">if</span> <span class="s">&#39;SHShow&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">textureData</span><span class="p">:</span>     <span class="c">#another fix</span>
     2955            <span class="n">textureData</span><span class="o">.</span><span class="n">update</span><span class="p">({</span><span class="s">&#39;SHShow&#39;</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">&#39;PFhkl&#39;</span><span class="p">:[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],</span><span class="s">&#39;PFxyz&#39;</span><span class="p">:[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mf">1.</span><span class="p">],</span><span class="s">&#39;PlotType&#39;</span><span class="p">:</span><span class="s">&#39;Pole figure&#39;</span><span class="p">})</span>
     2956        <span class="k">try</span><span class="p">:</span>                        <span class="c">#another fix!</span>
     2957            <span class="n">x</span> <span class="o">=</span> <span class="n">textureData</span><span class="p">[</span><span class="s">&#39;PlotType&#39;</span><span class="p">]</span>
     2958        <span class="k">except</span> <span class="ne">KeyError</span><span class="p">:</span>
     2959            <span class="n">textureData</span><span class="o">.</span><span class="n">update</span><span class="p">({</span><span class="s">&#39;PFxyz&#39;</span><span class="p">:[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mf">1.</span><span class="p">],</span><span class="s">&#39;PlotType&#39;</span><span class="p">:</span><span class="s">&#39;Pole figure&#39;</span><span class="p">})</span>
     2960        <span class="n">shModels</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;cylindrical&#39;</span><span class="p">,</span><span class="s">&#39;none&#39;</span><span class="p">,</span><span class="s">&#39;shear - 2/m&#39;</span><span class="p">,</span><span class="s">&#39;rolling - mmm&#39;</span><span class="p">]</span>
     2961        <span class="n">SamSym</span> <span class="o">=</span> <span class="nb">dict</span><span class="p">(</span><span class="nb">zip</span><span class="p">(</span><span class="n">shModels</span><span class="p">,[</span><span class="s">&#39;0&#39;</span><span class="p">,</span><span class="s">&#39;-1&#39;</span><span class="p">,</span><span class="s">&#39;2/m&#39;</span><span class="p">,</span><span class="s">&#39;mmm&#39;</span><span class="p">]))</span>
     2962        <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;doPawley&#39;</span><span class="p">]</span> <span class="ow">and</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">root</span><span class="p">,</span><span class="s">&#39;Sequental results&#39;</span><span class="p">):</span>
     2963            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">RefineTexture</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="bp">True</span><span class="p">)</span>
     2964        <span class="n">shAngles</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;omega&#39;</span><span class="p">,</span><span class="s">&#39;chi&#39;</span><span class="p">,</span><span class="s">&#39;phi&#39;</span><span class="p">]</span>
    29412965        <span class="k">if</span> <span class="n">Texture</span><span class="o">.</span><span class="n">GetSizer</span><span class="p">():</span>
    29422966            <span class="n">Texture</span><span class="o">.</span><span class="n">GetSizer</span><span class="p">()</span><span class="o">.</span><span class="n">Clear</span><span class="p">(</span><span class="bp">True</span><span class="p">)</span>
     
    30403064        <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">angSizer</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER_VERTICAL</span><span class="p">)</span>
    30413065        <span class="n">Texture</span><span class="o">.</span><span class="n">SetSizer</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span>
    3042         <span class="n">mainSizer</span><span class="o">.</span><span class="n">Fit</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">)</span>
    3043         <span class="n">Size</span> <span class="o">=</span> <span class="n">mainSizer</span><span class="o">.</span><span class="n">GetMinSize</span><span class="p">()</span>
    3044         <span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">+=</span> <span class="mi">40</span>
    3045         <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="mi">250</span><span class="p">)</span> <span class="o">+</span> <span class="mi">35</span>
    3046         <span class="n">Texture</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
    3047         <span class="n">Texture</span><span class="o">.</span><span class="n">SetScrollbars</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">4</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">1</span><span class="p">)</span>
    3048         <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="nb">min</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="mi">450</span><span class="p">)</span>
    3049         <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
    3050 
     3066        <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span>
     3067            <span class="n">mainSizer</span><span class="o">.</span><span class="n">Fit</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">)</span>
     3068            <span class="n">Size</span> <span class="o">=</span> <span class="n">mainSizer</span><span class="o">.</span><span class="n">GetMinSize</span><span class="p">()</span>
     3069            <span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">+=</span> <span class="mi">40</span>
     3070            <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="mi">250</span><span class="p">)</span> <span class="o">+</span> <span class="mi">35</span>
     3071            <span class="n">Texture</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
     3072            <span class="n">Texture</span><span class="o">.</span><span class="n">SetScrollbars</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">4</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">1</span><span class="p">)</span>
     3073            <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="nb">min</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="mi">450</span><span class="p">)</span>
     3074            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
     3075        <span class="k">else</span><span class="p">:</span>
     3076            <span class="n">Size</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span>
     3077            <span class="n">Texture</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">GetClientSize</span><span class="p">())</span>
     3078            <span class="n">Texture</span><span class="o">.</span><span class="n">SetScrollbars</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">4</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">1</span><span class="p">)</span>
     3079            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Update</span><span class="p">()</span>
    30513080<span class="c">################################################################################</span>
    30523081<span class="c">##### DData routines - GUI stuff in GSASIIddataGUI.py</span>
     
    31633192
    31643193    <span class="k">def</span> <span class="nf">FillRigidBodyGrid</span><span class="p">(</span><span class="n">refresh</span><span class="o">=</span><span class="bp">True</span><span class="p">):</span>
    3165         <span class="k">if</span> <span class="n">refresh</span><span class="p">:</span>
    3166             <span class="n">RigidBodies</span><span class="o">.</span><span class="n">DestroyChildren</span><span class="p">()</span>
    3167         <span class="n">AtLookUp</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">FillAtomLookUp</span><span class="p">(</span><span class="n">data</span><span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">])</span>
    3168         <span class="n">general</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
    3169         <span class="n">cx</span> <span class="o">=</span> <span class="n">general</span><span class="p">[</span><span class="s">&#39;AtomPtrs&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span>
    3170         <span class="n">Amat</span><span class="p">,</span><span class="n">Bmat</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">cell2AB</span><span class="p">(</span><span class="n">general</span><span class="p">[</span><span class="s">&#39;Cell&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">:</span><span class="mi">7</span><span class="p">])</span>
    3171         <span class="n">RBData</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemPyData</span><span class="p">(</span>   
    3172             <span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">root</span><span class="p">,</span><span class="s">&#39;Rigid bodies&#39;</span><span class="p">))</span>
    3173         <span class="n">Indx</span> <span class="o">=</span> <span class="p">{}</span>
    3174         <span class="n">atomStyle</span> <span class="o">=</span> <span class="s">&#39;balls &amp; sticks&#39;</span>
    3175         <span class="k">if</span> <span class="s">&#39;macro&#39;</span> <span class="ow">in</span> <span class="n">general</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]:</span>
    3176             <span class="n">atomStyle</span> <span class="o">=</span> <span class="s">&#39;sticks&#39;</span>
    3177        
     3194        <span class="sd">&#39;&#39;&#39;Fill the Rigid Body Phase information tab page.</span>
     3195<span class="sd">        Note that the page is a ScrolledWindow, not a Grid</span>
     3196<span class="sd">        &#39;&#39;&#39;</span>
    31783197        <span class="k">def</span> <span class="nf">OnThermSel</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>       <span class="c">#needs to be seen by VecRbSizer!</span>
    31793198            <span class="n">Obj</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">GetEventObject</span><span class="p">()</span>
     
    34313450            <span class="k">return</span> <span class="n">vecrbSizer</span>               
    34323451       
     3452        <span class="c"># FillRigidBodyGrid executable code starts here</span>
     3453        <span class="k">if</span> <span class="n">refresh</span><span class="p">:</span>
     3454            <span class="n">RigidBodies</span><span class="o">.</span><span class="n">DestroyChildren</span><span class="p">()</span>
     3455        <span class="n">AtLookUp</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">FillAtomLookUp</span><span class="p">(</span><span class="n">data</span><span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">])</span>
     3456        <span class="n">general</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
     3457        <span class="n">cx</span> <span class="o">=</span> <span class="n">general</span><span class="p">[</span><span class="s">&#39;AtomPtrs&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span>
     3458        <span class="n">Amat</span><span class="p">,</span><span class="n">Bmat</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">cell2AB</span><span class="p">(</span><span class="n">general</span><span class="p">[</span><span class="s">&#39;Cell&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">:</span><span class="mi">7</span><span class="p">])</span>
     3459        <span class="n">RBData</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemPyData</span><span class="p">(</span>   
     3460            <span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">root</span><span class="p">,</span><span class="s">&#39;Rigid bodies&#39;</span><span class="p">))</span>
     3461        <span class="n">Indx</span> <span class="o">=</span> <span class="p">{}</span>
     3462        <span class="n">atomStyle</span> <span class="o">=</span> <span class="s">&#39;balls &amp; sticks&#39;</span>
     3463        <span class="k">if</span> <span class="s">&#39;macro&#39;</span> <span class="ow">in</span> <span class="n">general</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]:</span>
     3464            <span class="n">atomStyle</span> <span class="o">=</span> <span class="s">&#39;sticks&#39;</span>
    34333465        <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;&#39;</span><span class="p">)</span>
    34343466        <span class="n">mainSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">VERTICAL</span><span class="p">)</span>
     
    34513483
    34523484        <span class="n">RigidBodies</span><span class="o">.</span><span class="n">SetSizer</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">)</span>
    3453         <span class="n">mainSizer</span><span class="o">.</span><span class="n">FitInside</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">)</span>
    3454         <span class="n">Size</span> <span class="o">=</span> <span class="n">mainSizer</span><span class="o">.</span><span class="n">GetMinSize</span><span class="p">()</span>
    3455         <span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">+=</span> <span class="mi">40</span>
    3456         <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="mi">290</span><span class="p">)</span> <span class="o">+</span> <span class="mi">35</span>
    3457         <span class="n">RigidBodies</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
    3458         <span class="n">RigidBodies</span><span class="o">.</span><span class="n">SetScrollbars</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">4</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">1</span><span class="p">)</span>
    3459         <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="nb">min</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="mi">450</span><span class="p">)</span>
    3460         <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
    3461        
     3485        <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span>
     3486            <span class="n">mainSizer</span><span class="o">.</span><span class="n">FitInside</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">)</span>
     3487            <span class="n">Size</span> <span class="o">=</span> <span class="n">mainSizer</span><span class="o">.</span><span class="n">GetMinSize</span><span class="p">()</span>
     3488            <span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">+=</span> <span class="mi">40</span>
     3489            <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="mi">290</span><span class="p">)</span> <span class="o">+</span> <span class="mi">35</span>
     3490            <span class="n">RigidBodies</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
     3491            <span class="n">RigidBodies</span><span class="o">.</span><span class="n">SetScrollbars</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">4</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">1</span><span class="p">)</span>
     3492            <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="nb">min</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="mi">450</span><span class="p">)</span>
     3493            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
     3494        <span class="k">else</span><span class="p">:</span>
     3495            <span class="n">Size</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span>
     3496            <span class="n">RigidBodies</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
     3497            <span class="n">RigidBodies</span><span class="o">.</span><span class="n">SetScrollbars</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">4</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">1</span><span class="p">)</span>
     3498            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Update</span><span class="p">()</span>
     3499
    34623500    <span class="k">def</span> <span class="nf">OnRBCopyParms</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
    34633501        <span class="n">RBObjs</span> <span class="o">=</span> <span class="p">[]</span>
     
    39323970
    39333971    <span class="k">def</span> <span class="nf">FillPawleyReflectionsGrid</span><span class="p">():</span>
    3934         <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;&#39;</span><span class="p">)</span>
    3935                        
    39363972        <span class="k">def</span> <span class="nf">KeyEditPawleyGrid</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
    39373973            <span class="n">colList</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PawleyRefl</span><span class="o">.</span><span class="n">GetSelectedCols</span><span class="p">()</span>
     
    39543990                        <span class="n">FillPawleyReflectionsGrid</span><span class="p">()</span>
    39553991           
     3992        <span class="c"># FillPawleyReflectionsGrid executable starts here</span>
     3993        <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;&#39;</span><span class="p">)</span>                       
    39563994        <span class="k">if</span> <span class="s">&#39;Pawley ref&#39;</span> <span class="ow">in</span> <span class="n">data</span><span class="p">:</span>
    39573995            <span class="n">PawleyPeaks</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Pawley ref&#39;</span><span class="p">]</span>                       
     
    39724010            <span class="n">G2frame</span><span class="o">.</span><span class="n">PawleyRefl</span><span class="o">.</span><span class="n">SetMargins</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">)</span>
    39734011            <span class="n">G2frame</span><span class="o">.</span><span class="n">PawleyRefl</span><span class="o">.</span><span class="n">AutoSizeColumns</span><span class="p">(</span><span class="bp">False</span><span class="p">)</span>
    3974             <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">([</span><span class="mi">500</span><span class="p">,</span><span class="mi">300</span><span class="p">])</span>
     4012            <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span>
     4013                <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">([</span><span class="mi">500</span><span class="p">,</span><span class="mi">300</span><span class="p">])</span>
     4014            <span class="k">else</span><span class="p">:</span>
     4015                <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Update</span><span class="p">()</span>
    39754016                   
    39764017    <span class="k">def</span> <span class="nf">OnPawleyLoad</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
     
    41194160            <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotStructure</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">)</span>                   
    41204161           
    4121         <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">([</span><span class="mi">450</span><span class="p">,</span><span class="mi">300</span><span class="p">])</span>
     4162        <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span>
     4163            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">([</span><span class="mi">450</span><span class="p">,</span><span class="mi">300</span><span class="p">])</span>
     4164        <span class="k">else</span><span class="p">:</span>
     4165            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Update</span><span class="p">()</span>
    41224166        <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;&#39;</span><span class="p">)</span>
    41234167        <span class="k">if</span> <span class="s">&#39;Map Peaks&#39;</span> <span class="ow">in</span> <span class="n">data</span><span class="p">:</span>
     
    43974441        <span class="s">&#39;Called when the data item window is resized by the user.&#39;</span>
    43984442        <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">GetSize</span><span class="p">()</span>
    4399         <span class="k">print</span> <span class="s">&#39;Resize to&#39;</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span>
    44004443        <span class="n">event</span><span class="o">.</span><span class="n">Skip</span><span class="p">()</span>
    44014444
     
    45024545        <span class="k">else</span><span class="p">:</span>
    45034546            <span class="n">G2gd</span><span class="o">.</span><span class="n">SetDataMenuBar</span><span class="p">(</span><span class="n">G2frame</span><span class="p">)</span>
    4504         <span class="n">wx</span><span class="o">.</span><span class="n">Frame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_SIZE</span><span class="p">,</span><span class="n">OnDataResize</span><span class="p">)</span> <span class="c"># capture user resize events</span>
     4547        <span class="n">wx</span><span class="o">.</span><span class="n">Frame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_SIZE</span><span class="p">,</span><span class="n">OnDataResize</span><span class="p">)</span> <span class="c"># capture user resize events again</span>
    45054548        <span class="n">event</span><span class="o">.</span><span class="n">Skip</span><span class="p">()</span>
    45064549       
    45074550    <span class="n">wx</span><span class="o">.</span><span class="n">Frame</span><span class="o">.</span><span class="n">Unbind</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_SIZE</span><span class="p">)</span> <span class="c"># ignore size events during this routine</span>
    4508     <span class="n">General</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Window</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">)</span>
    4509     <span class="c"># General = wx.ScrolledWindow(G2frame.dataDisplay) # would like to change to this</span>
     4551    <span class="n">General</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ScrolledWindow</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">)</span>
    45104552    <span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="o">.</span><span class="n">AddPage</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="s">&#39;General&#39;</span><span class="p">)</span>
    45114553    <span class="n">DData</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ScrolledWindow</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">)</span>
     
    45134555    <span class="n">Atoms</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GSGrid</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">)</span>
    45144556    <span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="o">.</span><span class="n">AddPage</span><span class="p">(</span><span class="n">Atoms</span><span class="p">,</span><span class="s">&#39;Atoms&#39;</span><span class="p">)</span>
    4515     <span class="n">drawOptions</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Window</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">)</span>
     4557    <span class="n">drawOptions</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ScrolledWindow</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">)</span>
    45164558    <span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="o">.</span><span class="n">AddPage</span><span class="p">(</span><span class="n">drawOptions</span><span class="p">,</span><span class="s">&#39;Draw Options&#39;</span><span class="p">)</span>
    45174559    <span class="n">drawAtoms</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GSGrid</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">)</span>
  • trunk/sphinxdocs/build/html/_modules/index.html

    r911 r921  
    4949  <h1>All modules for which code is available</h1>
    5050<ul><li><a href="GSASII.html">GSASII</a></li>
     51<li><a href="GSASIIElemGUI.html">GSASIIElemGUI</a></li>
     52<li><a href="GSASIIIO.html">GSASIIIO</a></li>
     53<li><a href="GSASIIconstrGUI.html">GSASIIconstrGUI</a></li>
    5154<li><a href="GSASIIddataGUI.html">GSASIIddataGUI</a></li>
    5255<li><a href="GSASIIgrid.html">GSASIIgrid</a></li>
     56<li><a href="GSASIIimgGUI.html">GSASIIimgGUI</a></li>
    5357<li><a href="GSASIImapvars.html">GSASIImapvars</a></li>
    5458<li><a href="GSASIIphsGUI.html">GSASIIphsGUI</a></li>
     59<li><a href="GSASIIpwdGUI.html">GSASIIpwdGUI</a></li>
     60<li><a href="GSASIIrestrGUI.html">GSASIIrestrGUI</a></li>
    5561</ul>
    5662
  • trunk/sphinxdocs/build/html/genindex.html

    r911 r921  
    7676  <td style="width: 33%" valign="top"><dl>
    7777     
    78   <dt><a href="GSASIIgrid.html#GSASIIgrid.AddHelp">AddHelp (class in GSASIIgrid)</a>
     78  <dt><a href="GSASIIGUIr.html#GSASIIgrid.AddHelp">AddHelp (class in GSASIIgrid)</a>
    7979  </dt>
    8080
     
    8686  <td style="width: 33%" valign="top"><dl>
    8787     
    88   <dt><a href="GSASIIgrid.html#GSASIIgrid.DataFrame.Bind">Bind() (GSASIIgrid.DataFrame method)</a>
     88  <dt><a href="GSASIIGUIr.html#GSASIIgrid.DataFrame.Bind">Bind() (GSASIIgrid.DataFrame method)</a>
     89  </dt>
     90
     91  </dl></td>
     92  <td style="width: 33%" valign="top"><dl>
     93     
     94  <dt><a href="GSASIIGUIr.html#GSASIIIO.ImportBaseclass.BlockSelector">BlockSelector() (GSASIIIO.ImportBaseclass method)</a>
    8995  </dt>
    9096
     
    100106
    101107     
     108  <dt><a href="GSASIIGUIr.html#GSASIIIO.CheckImageFile">CheckImageFile() (in module GSASIIIO)</a>
     109  </dt>
     110
     111     
    102112  <dt><a href="GSASII.html#GSASII.GSASII.CheckNotebook">CheckNotebook() (GSASII.GSASII method)</a>
    103113  </dt>
     
    109119  </dt>
    110120
     121     
     122  <dt><a href="GSASIIGUIr.html#GSASIIIO.ImportBaseclass.ContentsValidator">ContentsValidator() (GSASIIIO.ImportBaseclass method)</a>
     123  </dt>
     124
    111125  </dl></td>
    112126</tr></table>
     
    116130  <td style="width: 33%" valign="top"><dl>
    117131     
    118   <dt><a href="GSASIIgrid.html#GSASIIgrid.DataFrame">DataFrame (class in GSASIIgrid)</a>
     132  <dt><a href="GSASIIGUIr.html#GSASIIgrid.DataFrame">DataFrame (class in GSASIIgrid)</a>
     133  </dt>
     134
     135     
     136  <dt><a href="GSASIIGUI.html#GSASIIElemGUI.DeleteElement">DeleteElement (class in GSASIIElemGUI)</a>
    119137  </dt>
    120138
     
    130148
    131149     
    132   <dt><a href="GSASIIgrid.html#GSASIIgrid.DisAglDialog">DisAglDialog (class in GSASIIgrid)</a>
     150  <dt><a href="GSASIIGUIr.html#GSASIIgrid.DisAglDialog">DisAglDialog (class in GSASIIgrid)</a>
    133151  </dt>
    134152
     
    140158  <td style="width: 33%" valign="top"><dl>
    141159     
     160  <dt><a href="GSASIIGUI.html#GSASIIElemGUI.DeleteElement.ElButton">ElButton() (GSASIIElemGUI.DeleteElement method)</a>
     161  </dt>
     162
     163      <dd><dl>
     164       
     165  <dt><a href="GSASIIGUI.html#GSASIIElemGUI.PickElement.ElButton">(GSASIIElemGUI.PickElement method)</a>
     166  </dt>
     167
     168      </dl></dd>
     169     
    142170  <dt><a href="GSASII.html#GSASII.GSASII.ErrorDialog">ErrorDialog() (GSASII.GSASII method)</a>
    143171  </dt>
    144172
    145   </dl></td>
    146   <td style="width: 33%" valign="top"><dl>
    147173     
    148174  <dt><a href="GSASII.html#GSASII.GSASII.ExitMain">ExitMain() (GSASII.GSASII method)</a>
     
    150176
    151177  </dl></td>
     178  <td style="width: 33%" valign="top"><dl>
     179     
     180  <dt><a href="GSASIIGUIr.html#GSASIIIO.ImportBaseclass.ExtensionValidator">ExtensionValidator() (GSASIIIO.ImportBaseclass method)</a>
     181  </dt>
     182
     183     
     184  <dt><a href="GSASIIGUIr.html#GSASIIIO.ExtractFileFromZip">ExtractFileFromZip() (in module GSASIIIO)</a>
     185  </dt>
     186
     187  </dl></td>
    152188</tr></table>
    153189
     
    156192  <td style="width: 33%" valign="top"><dl>
    157193     
     194  <dt><a href="GSASIIGUIr.html#GSASIIIO.FileDlgFixExt">FileDlgFixExt() (in module GSASIIIO)</a>
     195  </dt>
     196
     197  </dl></td>
     198  <td style="width: 33%" valign="top"><dl>
     199     
    158200  <dt><a href="GSASII.html#GSASII.GSASII.FillMainMenu">FillMainMenu() (GSASII.GSASII method)</a>
    159201  </dt>
     
    166208  <td style="width: 33%" valign="top"><dl>
    167209     
    168   <dt><a href="GSASIIgrid.html#GSASIIgrid.G2HtmlWindow">G2HtmlWindow (class in GSASIIgrid)</a>
     210  <dt><a href="GSASIIGUIr.html#GSASIIgrid.G2HtmlWindow">G2HtmlWindow (class in GSASIIgrid)</a>
    169211  </dt>
    170212
     
    178220
    179221     
     222  <dt><a href="GSASIIGUIr.html#GSASIIIO.GetEdfData">GetEdfData() (in module GSASIIIO)</a>
     223  </dt>
     224
     225     
    180226  <dt><a href="GSASII.html#GSASII.GSASII.GetFileList">GetFileList() (GSASII.GSASII method)</a>
    181227  </dt>
    182228
    183229     
     230  <dt><a href="GSASIIGUIr.html#GSASIIIO.GetG2Image">GetG2Image() (in module GSASIIIO)</a>
     231  </dt>
     232
     233     
     234  <dt><a href="GSASIIGUIr.html#GSASIIIO.GetGEsumData">GetGEsumData() (in module GSASIIIO)</a>
     235  </dt>
     236
     237     
    184238  <dt><a href="GSASII.html#GSASII.GSASII.GetHKLFdatafromTree">GetHKLFdatafromTree() (GSASII.GSASII method)</a>
    185239  </dt>
    186240
    187241     
     242  <dt><a href="GSASIIGUIr.html#GSASIIIO.GetImageData">GetImageData() (in module GSASIIIO)</a>
     243  </dt>
     244
     245     
     246  <dt><a href="GSASIIGUIr.html#GSASIIIO.GetImgData">GetImgData() (in module GSASIIIO)</a>
     247  </dt>
     248
     249     
    188250  <dt><a href="GSASIImapvars.html#GSASIImapvars.GetIndependentVars">GetIndependentVars() (in module GSASIImapvars)</a>
    189251  </dt>
    190252
    191253     
    192   <dt><a href="GSASIIgrid.html#GSASIIgrid.GetPatternTreeDataNames">GetPatternTreeDataNames() (in module GSASIIgrid)</a>
    193   </dt>
    194 
    195      
    196   <dt><a href="GSASIIgrid.html#GSASIIgrid.GetPatternTreeItemId">GetPatternTreeItemId() (in module GSASIIgrid)</a>
     254  <dt><a href="GSASIIGUIr.html#GSASIIIO.GetMAR345Data">GetMAR345Data() (in module GSASIIIO)</a>
     255  </dt>
     256
     257     
     258  <dt><a href="GSASIIGUIr.html#GSASIIgrid.GetPatternTreeDataNames">GetPatternTreeDataNames() (in module GSASIIgrid)</a>
     259  </dt>
     260
     261     
     262  <dt><a href="GSASIIGUIr.html#GSASIIgrid.GetPatternTreeItemId">GetPatternTreeItemId() (in module GSASIIgrid)</a>
    197263  </dt>
    198264
     
    206272
    207273     
     274  <dt><a href="GSASIIGUIr.html#GSASIIIO.GetPowderPeaks">GetPowderPeaks() (in module GSASIIIO)</a>
     275  </dt>
     276
     277     
    208278  <dt><a href="GSASII.html#GSASII.GSASII.GetPWDRdatafromTree">GetPWDRdatafromTree() (GSASII.GSASII method)</a>
    209279  </dt>
    210280
    211281     
     282  <dt><a href="GSASIIGUIr.html#GSASIIIO.GetTifData">GetTifData() (in module GSASIIIO)</a>
     283  </dt>
     284
     285     
    212286  <dt><a href="GSASII.html#GSASII.GSASII.GetUsedHistogramsAndPhasesfromTree">GetUsedHistogramsAndPhasesfromTree() (GSASII.GSASII method)</a>
    213287  </dt>
     
    217291  </dt>
    218292
    219      
    220   <dt><a href="GSASIIgrid.html#GSASIIgrid.GridFractionEditor">GridFractionEditor (class in GSASIIgrid)</a>
    221   </dt>
    222 
    223   </dl></td>
    224   <td style="width: 33%" valign="top"><dl>
     293  </dl></td>
     294  <td style="width: 33%" valign="top"><dl>
     295     
     296  <dt><a href="GSASIIGUIr.html#GSASIIgrid.GridFractionEditor">GridFractionEditor (class in GSASIIgrid)</a>
     297  </dt>
     298
    225299     
    226300  <dt><a href="GSASIImapvars.html#GSASIImapvars.GroupConstraints">GroupConstraints() (in module GSASIImapvars)</a>
     
    254328
    255329     
    256   <dt><a href="GSASIIddataGUI.html#module-GSASIIddataGUI">GSASIIddataGUI (module)</a>
    257   </dt>
    258 
    259      
    260   <dt><a href="GSASIIgrid.html#module-GSASIIgrid">GSASIIgrid (module)</a>
     330  <dt><a href="GSASIIGUI.html#module-GSASIIconstrGUI">GSASIIconstrGUI (module)</a>
     331  </dt>
     332
     333     
     334  <dt><a href="GSASIIGUI.html#module-GSASIIddataGUI">GSASIIddataGUI (module)</a>
     335  </dt>
     336
     337     
     338  <dt><a href="GSASIIGUI.html#module-GSASIIElemGUI">GSASIIElemGUI (module)</a>
     339  </dt>
     340
     341     
     342  <dt><a href="GSASIIGUIr.html#module-GSASIIgrid">GSASIIgrid (module)</a>
     343  </dt>
     344
     345     
     346  <dt><a href="GSASIIGUI.html#module-GSASIIimgGUI">GSASIIimgGUI (module)</a>
     347  </dt>
     348
     349     
     350  <dt><a href="GSASIIGUIr.html#module-GSASIIIO">GSASIIIO (module)</a>
    261351  </dt>
    262352
     
    270360
    271361     
    272   <dt><a href="GSASIIphsGUI.html#module-GSASIIphsGUI">GSASIIphsGUI (module)</a>
    273   </dt>
    274 
    275      
    276   <dt><a href="GSASIIgrid.html#GSASIIgrid.GSGrid">GSGrid (class in GSASIIgrid)</a>
    277   </dt>
    278 
    279      
    280   <dt><a href="GSASIIgrid.html#GSASIIgrid.GSNoteBook">GSNoteBook (class in GSASIIgrid)</a>
     362  <dt><a href="GSASIIGUI.html#module-GSASIIphsGUI">GSASIIphsGUI (module)</a>
     363  </dt>
     364
     365     
     366  <dt><a href="GSASIIGUI.html#module-GSASIIpwdGUI">GSASIIpwdGUI (module)</a>
     367  </dt>
     368
     369     
     370  <dt><a href="GSASIIGUI.html#module-GSASIIrestrGUI">GSASIIrestrGUI (module)</a>
     371  </dt>
     372
     373     
     374  <dt><a href="GSASIIGUIr.html#GSASIIgrid.GSGrid">GSGrid (class in GSASIIgrid)</a>
     375  </dt>
     376
     377     
     378  <dt><a href="GSASIIGUIr.html#GSASIIgrid.GSNoteBook">GSNoteBook (class in GSASIIgrid)</a>
    281379  </dt>
    282380
     
    288386  <td style="width: 33%" valign="top"><dl>
    289387     
    290   <dt><a href="GSASIIgrid.html#GSASIIgrid.HorizontalLine">HorizontalLine() (in module GSASIIgrid)</a>
     388  <dt><a href="GSASIIGUIr.html#GSASIIgrid.HorizontalLine">HorizontalLine() (in module GSASIIgrid)</a>
    291389  </dt>
    292390
     
    298396  <td style="width: 33%" valign="top"><dl>
    299397     
     398  <dt><a href="GSASIIGUIr.html#GSASIIIO.ImportBaseclass">ImportBaseclass (class in GSASIIIO)</a>
     399  </dt>
     400
     401     
     402  <dt><a href="GSASIIGUIr.html#GSASIIIO.ImportPhase">ImportPhase (class in GSASIIIO)</a>
     403  </dt>
     404
     405     
     406  <dt><a href="GSASIIGUIr.html#GSASIIIO.ImportPowderData">ImportPowderData (class in GSASIIIO)</a>
     407  </dt>
     408
     409     
     410  <dt><a href="GSASIIGUIr.html#GSASIIIO.ImportStructFactor">ImportStructFactor (class in GSASIIIO)</a>
     411  </dt>
     412
     413  </dl></td>
     414  <td style="width: 33%" valign="top"><dl>
     415     
     416  <dt><a href="GSASIIGUIr.html#GSASIIIO.IndexPeakListSave">IndexPeakListSave() (in module GSASIIIO)</a>
     417  </dt>
     418
     419     
    300420  <dt><a href="GSASIImapvars.html#GSASIImapvars.InitVars">InitVars() (in module GSASIImapvars)</a>
    301421  </dt>
    302422
     423     
     424  <dt><a href="GSASIIGUI.html#GSASIIpwdGUI.IsHistogramInAnyPhase">IsHistogramInAnyPhase() (in module GSASIIpwdGUI)</a>
     425  </dt>
     426
    303427  </dl></td>
    304428</tr></table>
     
    316440
    317441     
    318   <dt><a href="GSASIIgrid.html#GSASIIgrid.MovePatternTreeToGrid">MovePatternTreeToGrid() (in module GSASIIgrid)</a>
    319   </dt>
    320 
    321   </dl></td>
    322   <td style="width: 33%" valign="top"><dl>
    323      
    324   <dt><a href="GSASIIgrid.html#GSASIIgrid.MyHelp">MyHelp (class in GSASIIgrid)</a>
    325   </dt>
    326 
    327      
    328   <dt><a href="GSASIIgrid.html#GSASIIgrid.MyHtmlPanel">MyHtmlPanel (class in GSASIIgrid)</a>
     442  <dt><a href="GSASIIGUIr.html#GSASIIgrid.MovePatternTreeToGrid">MovePatternTreeToGrid() (in module GSASIIgrid)</a>
     443  </dt>
     444
     445     
     446  <dt><a href="GSASIIGUI.html#GSASIIconstrGUI.MultiIntegerDialog">MultiIntegerDialog (class in GSASIIconstrGUI)</a>
     447  </dt>
     448
     449     
     450  <dt><a href="GSASIIGUIr.html#GSASIIIO.ImportBaseclass.MultipleBlockSelector">MultipleBlockSelector() (GSASIIIO.ImportBaseclass method)</a>
     451  </dt>
     452
     453  </dl></td>
     454  <td style="width: 33%" valign="top"><dl>
     455     
     456  <dt><a href="GSASIIGUIr.html#GSASIIIO.MultipleChoicesDialog">MultipleChoicesDialog (class in GSASIIIO)</a>
     457  </dt>
     458
     459     
     460  <dt><a href="GSASIIGUIr.html#GSASIIIO.ImportBaseclass.MultipleChoicesDialog">MultipleChoicesDialog() (GSASIIIO.ImportBaseclass method)</a>
     461  </dt>
     462
     463     
     464  <dt><a href="GSASIIGUIr.html#GSASIIgrid.MyHelp">MyHelp (class in GSASIIgrid)</a>
     465  </dt>
     466
     467     
     468  <dt><a href="GSASIIGUIr.html#GSASIIgrid.MyHtmlPanel">MyHtmlPanel (class in GSASIIgrid)</a>
    329469  </dt>
    330470
     
    340480
    341481     
    342   <dt><a href="GSASIIgrid.html#GSASIIgrid.MyHelp.OnCheckUpdates">OnCheckUpdates() (GSASIIgrid.MyHelp method)</a>
     482  <dt><a href="GSASIIGUIr.html#GSASIIgrid.MyHelp.OnCheckUpdates">OnCheckUpdates() (GSASIIgrid.MyHelp method)</a>
    343483  </dt>
    344484
     
    372512
    373513     
    374   <dt><a href="GSASIIgrid.html#GSASIIgrid.MyHelp.OnHelpAbout">OnHelpAbout() (GSASIIgrid.MyHelp method)</a>
    375   </dt>
    376 
    377      
    378   <dt><a href="GSASIIgrid.html#GSASIIgrid.AddHelp.OnHelpById">OnHelpById() (GSASIIgrid.AddHelp method)</a>
     514  <dt><a href="GSASIIGUIr.html#GSASIIgrid.MyHelp.OnHelpAbout">OnHelpAbout() (GSASIIgrid.MyHelp method)</a>
     515  </dt>
     516
     517     
     518  <dt><a href="GSASIIGUIr.html#GSASIIgrid.AddHelp.OnHelpById">OnHelpById() (GSASIIgrid.AddHelp method)</a>
    379519  </dt>
    380520
    381521      <dd><dl>
    382522       
    383   <dt><a href="GSASIIgrid.html#GSASIIgrid.MyHelp.OnHelpById">(GSASIIgrid.MyHelp method)</a>
     523  <dt><a href="GSASIIGUIr.html#GSASIIgrid.MyHelp.OnHelpById">(GSASIIgrid.MyHelp method)</a>
    384524  </dt>
    385525
     
    478618  <td style="width: 33%" valign="top"><dl>
    479619     
    480   <dt><a href="GSASIIgrid.html#GSASIIgrid.PickTwoDialog">PickTwoDialog (class in GSASIIgrid)</a>
    481   </dt>
    482 
    483      
    484   <dt><a href="GSASIIgrid.html#GSASIIgrid.DataFrame.PostfillDataMenu">PostfillDataMenu() (GSASIIgrid.DataFrame method)</a>
    485   </dt>
    486 
    487   </dl></td>
    488   <td style="width: 33%" valign="top"><dl>
    489      
    490   <dt><a href="GSASIIgrid.html#GSASIIgrid.DataFrame.PrefillDataMenu">PrefillDataMenu() (GSASIIgrid.DataFrame method)</a>
     620  <dt><a href="GSASIIGUIr.html#GSASIIIO.PDFSave">PDFSave() (in module GSASIIIO)</a>
     621  </dt>
     622
     623     
     624  <dt><a href="GSASIIGUIr.html#GSASIIIO.PeakListSave">PeakListSave() (in module GSASIIIO)</a>
     625  </dt>
     626
     627     
     628  <dt><a href="GSASIIGUIr.html#GSASIIIO.ImportPhase.PhaseSelector">PhaseSelector() (GSASIIIO.ImportPhase method)</a>
     629  </dt>
     630
     631     
     632  <dt><a href="GSASIIGUI.html#GSASIIElemGUI.PickElement">PickElement (class in GSASIIElemGUI)</a>
     633  </dt>
     634
     635     
     636  <dt><a href="GSASIIGUIr.html#GSASIIgrid.PickTwoDialog">PickTwoDialog (class in GSASIIgrid)</a>
     637  </dt>
     638
     639     
     640  <dt><a href="GSASIIGUIr.html#GSASIIgrid.DataFrame.PostfillDataMenu">PostfillDataMenu() (GSASIIgrid.DataFrame method)</a>
     641  </dt>
     642
     643     
     644  <dt><a href="GSASIIGUIr.html#GSASIIIO.ImportPowderData.powderdata">powderdata (GSASIIIO.ImportPowderData attribute)</a>
     645  </dt>
     646
     647  </dl></td>
     648  <td style="width: 33%" valign="top"><dl>
     649     
     650  <dt><a href="GSASIIGUIr.html#GSASIIIO.powderFxyeSave">powderFxyeSave() (in module GSASIIIO)</a>
     651  </dt>
     652
     653     
     654  <dt><a href="GSASIIGUIr.html#GSASIIIO.powderXyeSave">powderXyeSave() (in module GSASIIIO)</a>
     655  </dt>
     656
     657     
     658  <dt><a href="GSASIIGUIr.html#GSASIIgrid.DataFrame.PrefillDataMenu">PrefillDataMenu() (GSASIIgrid.DataFrame method)</a>
    491659  </dt>
    492660
     
    495663  </dt>
    496664
     665     
     666  <dt><a href="GSASIIGUIr.html#GSASIIIO.ProjFileOpen">ProjFileOpen() (in module GSASIIIO)</a>
     667  </dt>
     668
     669     
     670  <dt><a href="GSASIIGUIr.html#GSASIIIO.ProjFileSave">ProjFileSave() (in module GSASIIIO)</a>
     671  </dt>
     672
     673     
     674  <dt><a href="GSASIIGUIr.html#GSASIIIO.PutG2Image">PutG2Image() (in module GSASIIIO)</a>
     675  </dt>
     676
    497677  </dl></td>
    498678</tr></table>
     
    502682  <td style="width: 33%" valign="top"><dl>
    503683     
     684  <dt><a href="GSASIIGUIr.html#GSASIIIO.ReadEXPPhase">ReadEXPPhase() (in module GSASIIIO)</a>
     685  </dt>
     686
     687     
     688  <dt><a href="GSASIIGUIr.html#GSASIIIO.ReadPDBPhase">ReadPDBPhase() (in module GSASIIIO)</a>
     689  </dt>
     690
     691  </dl></td>
     692  <td style="width: 33%" valign="top"><dl>
     693     
    504694  <dt><a href="GSASII.html#GSASII.GSASII.ReadPowderInstprm">ReadPowderInstprm() (GSASII.GSASII method)</a>
    505695  </dt>
    506696
    507   </dl></td>
    508   <td style="width: 33%" valign="top"><dl>
    509697     
    510698  <dt><a href="GSASII.html#GSASII.GSASII.ReadPowderIparm">ReadPowderIparm() (GSASII.GSASII method)</a>
     
    518706  <td style="width: 33%" valign="top"><dl>
    519707     
    520   <dt><a href="GSASIIgrid.html#GSASIIgrid.SetDataMenuBar">SetDataMenuBar() (in module GSASIIgrid)</a>
    521   </dt>
    522 
    523      
    524   <dt><a href="GSASIIgrid.html#GSASIIgrid.ShowHelp">ShowHelp() (in module GSASIIgrid)</a>
    525   </dt>
    526 
    527      
    528   <dt><a href="GSASIIgrid.html#GSASIIgrid.SingleFloatDialog">SingleFloatDialog (class in GSASIIgrid)</a>
    529   </dt>
    530 
    531   </dl></td>
    532   <td style="width: 33%" valign="top"><dl>
     708  <dt><a href="GSASIIGUIr.html#GSASIIIO.SaveIntegration">SaveIntegration() (in module GSASIIIO)</a>
     709  </dt>
     710
     711     
     712  <dt><a href="GSASIIGUIr.html#GSASIIgrid.SetDataMenuBar">SetDataMenuBar() (in module GSASIIgrid)</a>
     713  </dt>
     714
     715     
     716  <dt><a href="GSASIIGUI.html#GSASIIpwdGUI.SetDefaultSample">SetDefaultSample() (in module GSASIIpwdGUI)</a>
     717  </dt>
     718
     719     
     720  <dt><a href="GSASIIGUIr.html#GSASIIIO.sfloat">sfloat() (in module GSASIIIO)</a>
     721  </dt>
     722
     723     
     724  <dt><a href="GSASIIGUIr.html#GSASIIgrid.ShowHelp">ShowHelp() (in module GSASIIgrid)</a>
     725  </dt>
     726
     727  </dl></td>
     728  <td style="width: 33%" valign="top"><dl>
     729     
     730  <dt><a href="GSASIIGUIr.html#GSASIIgrid.SingleFloatDialog">SingleFloatDialog (class in GSASIIgrid)</a>
     731  </dt>
     732
     733     
     734  <dt><a href="GSASIIGUIr.html#GSASIIIO.sint">sint() (in module GSASIIIO)</a>
     735  </dt>
     736
    533737     
    534738  <dt><a href="GSASIImapvars.html#GSASIImapvars.StoreEquivalence">StoreEquivalence() (in module GSASIImapvars)</a>
     
    536740
    537741     
    538   <dt><a href="GSASIIgrid.html#GSASIIgrid.SymOpDialog">SymOpDialog (class in GSASIIgrid)</a>
     742  <dt><a href="GSASIIGUIr.html#GSASIIgrid.SymOpDialog">SymOpDialog (class in GSASIIgrid)</a>
    539743  </dt>
    540744
     
    546750  <td style="width: 33%" valign="top"><dl>
    547751     
    548   <dt><a href="GSASIIgrid.html#GSASIIgrid.Table">Table (class in GSASIIgrid)</a>
     752  <dt><a href="GSASIIGUIr.html#GSASIIgrid.Table">Table (class in GSASIIgrid)</a>
    549753  </dt>
    550754
     
    556760  <td style="width: 33%" valign="top"><dl>
    557761     
    558   <dt><a href="GSASIIgrid.html#GSASIIgrid.UpdateControls">UpdateControls() (in module GSASIIgrid)</a>
    559   </dt>
    560 
    561      
    562   <dt><a href="GSASIIddataGUI.html#GSASIIddataGUI.UpdateDData">UpdateDData() (in module GSASIIddataGUI)</a>
    563   </dt>
    564 
    565      
    566   <dt><a href="GSASIIgrid.html#GSASIIgrid.UpdateHKLControls">UpdateHKLControls() (in module GSASIIgrid)</a>
    567   </dt>
    568 
    569      
    570   <dt><a href="GSASIIgrid.html#GSASIIgrid.UpdateNotebook">UpdateNotebook() (in module GSASIIgrid)</a>
    571   </dt>
    572 
    573   </dl></td>
    574   <td style="width: 33%" valign="top"><dl>
    575      
    576   <dt><a href="GSASIIphsGUI.html#GSASIIphsGUI.UpdatePhaseData">UpdatePhaseData() (in module GSASIIphsGUI)</a>
    577   </dt>
    578 
    579      
    580   <dt><a href="GSASIIgrid.html#GSASIIgrid.UpdatePWHKPlot">UpdatePWHKPlot() (in module GSASIIgrid)</a>
    581   </dt>
    582 
    583      
    584   <dt><a href="GSASIIgrid.html#GSASIIgrid.UpdateSeqResults">UpdateSeqResults() (in module GSASIIgrid)</a>
     762  <dt><a href="GSASIIGUI.html#GSASIIpwdGUI.UpdateBackground">UpdateBackground() (in module GSASIIpwdGUI)</a>
     763  </dt>
     764
     765     
     766  <dt><a href="GSASIIGUI.html#GSASIIconstrGUI.UpdateConstraints">UpdateConstraints() (in module GSASIIconstrGUI)</a>
     767  </dt>
     768
     769     
     770  <dt><a href="GSASIIGUIr.html#GSASIIIO.ImportStructFactor.UpdateControls">UpdateControls() (GSASIIIO.ImportStructFactor method)</a>
     771  </dt>
     772
     773      <dd><dl>
     774       
     775  <dt><a href="GSASIIGUIr.html#GSASIIgrid.UpdateControls">(in module GSASIIgrid)</a>
     776  </dt>
     777
     778      </dl></dd>
     779     
     780  <dt><a href="GSASIIGUI.html#GSASIIddataGUI.UpdateDData">UpdateDData() (in module GSASIIddataGUI)</a>
     781  </dt>
     782
     783     
     784  <dt><a href="GSASIIGUIr.html#GSASIIgrid.UpdateHKLControls">UpdateHKLControls() (in module GSASIIgrid)</a>
     785  </dt>
     786
     787     
     788  <dt><a href="GSASIIGUI.html#GSASIIimgGUI.UpdateImageControls">UpdateImageControls() (in module GSASIIimgGUI)</a>
     789  </dt>
     790
     791     
     792  <dt><a href="GSASIIGUI.html#GSASIIpwdGUI.UpdateIndexPeaksGrid">UpdateIndexPeaksGrid() (in module GSASIIpwdGUI)</a>
     793  </dt>
     794
     795     
     796  <dt><a href="GSASIIGUI.html#GSASIIpwdGUI.UpdateInstrumentGrid">UpdateInstrumentGrid() (in module GSASIIpwdGUI)</a>
     797  </dt>
     798
     799     
     800  <dt><a href="GSASIIGUI.html#GSASIIpwdGUI.UpdateLimitsGrid">UpdateLimitsGrid() (in module GSASIIpwdGUI)</a>
     801  </dt>
     802
     803     
     804  <dt><a href="GSASIIGUI.html#GSASIIimgGUI.UpdateMasks">UpdateMasks() (in module GSASIIimgGUI)</a>
     805  </dt>
     806
     807     
     808  <dt><a href="GSASIIGUIr.html#GSASIIgrid.UpdateNotebook">UpdateNotebook() (in module GSASIIgrid)</a>
     809  </dt>
     810
     811  </dl></td>
     812  <td style="width: 33%" valign="top"><dl>
     813     
     814  <dt><a href="GSASIIGUI.html#GSASIIpwdGUI.UpdatePDFGrid">UpdatePDFGrid() (in module GSASIIpwdGUI)</a>
     815  </dt>
     816
     817     
     818  <dt><a href="GSASIIGUI.html#GSASIIpwdGUI.UpdatePeakGrid">UpdatePeakGrid() (in module GSASIIpwdGUI)</a>
     819  </dt>
     820
     821     
     822  <dt><a href="GSASIIGUI.html#GSASIIphsGUI.UpdatePhaseData">UpdatePhaseData() (in module GSASIIphsGUI)</a>
     823  </dt>
     824
     825     
     826  <dt><a href="GSASIIGUIr.html#GSASIIgrid.UpdatePWHKPlot">UpdatePWHKPlot() (in module GSASIIgrid)</a>
     827  </dt>
     828
     829     
     830  <dt><a href="GSASIIGUI.html#GSASIIpwdGUI.UpdateReflectionGrid">UpdateReflectionGrid() (in module GSASIIpwdGUI)</a>
     831  </dt>
     832
     833     
     834  <dt><a href="GSASIIGUI.html#GSASIIrestrGUI.UpdateRestraints">UpdateRestraints() (in module GSASIIrestrGUI)</a>
     835  </dt>
     836
     837     
     838  <dt><a href="GSASIIGUI.html#GSASIIconstrGUI.UpdateRigidBodies">UpdateRigidBodies() (in module GSASIIconstrGUI)</a>
     839  </dt>
     840
     841     
     842  <dt><a href="GSASIIGUI.html#GSASIIpwdGUI.UpdateSampleGrid">UpdateSampleGrid() (in module GSASIIpwdGUI)</a>
     843  </dt>
     844
     845     
     846  <dt><a href="GSASIIGUIr.html#GSASIIgrid.UpdateSeqResults">UpdateSeqResults() (in module GSASIIgrid)</a>
     847  </dt>
     848
     849     
     850  <dt><a href="GSASIIGUI.html#GSASIIimgGUI.UpdateStressStrain">UpdateStressStrain() (in module GSASIIimgGUI)</a>
     851  </dt>
     852
     853     
     854  <dt><a href="GSASIIGUI.html#GSASIIpwdGUI.UpdateUnitCellsGrid">UpdateUnitCellsGrid() (in module GSASIIpwdGUI)</a>
    585855  </dt>
    586856
  • trunk/sphinxdocs/build/html/index.html

    r911 r921  
    6262</ul>
    6363</li>
    64 <li class="toctree-l1"><a class="reference internal" href="GSASIIgrid.html"><em>GSASIIgrid: Basic GUI routines</em></a></li>
    65 <li class="toctree-l1"><a class="reference internal" href="GSASIIphsGUI.html"><em>GSASIIphsGUI: Phase GUI</em></a></li>
    66 <li class="toctree-l1"><a class="reference internal" href="GSASIIddataGUI.html"><em>GSASIIddataGUI: Phase Diffraction Data GUI</em></a></li>
     64<li class="toctree-l1"><a class="reference internal" href="GSASIIGUIr.html"><em>GSAS-II GUI Routines</em></a><ul>
     65<li class="toctree-l2"><a class="reference internal" href="GSASIIGUIr.html#gsasiigrid-basic-gui-routines"><em>GSASIIgrid: Basic GUI routines</em></a></li>
     66<li class="toctree-l2"><a class="reference internal" href="GSASIIGUIr.html#gsasiiio-misc-i-o-routines"><em>GSASIIIO: Misc I/O routines</em></a></li>
     67</ul>
     68</li>
     69<li class="toctree-l1"><a class="reference internal" href="GSASIIGUI.html"><em>GSAS-II GUI Submodules</em></a><ul>
     70<li class="toctree-l2"><a class="reference internal" href="GSASIIGUI.html#gsasiiphsgui-phase-gui"><em>GSASIIphsGUI: Phase GUI</em></a></li>
     71<li class="toctree-l2"><a class="reference internal" href="GSASIIGUI.html#gsasiiddatagui-phase-diffraction-data-gui"><em>GSASIIddataGUI: Phase Diffraction Data GUI</em></a></li>
     72<li class="toctree-l2"><a class="reference internal" href="GSASIIGUI.html#gsasiielemgui-gui-to-select-and-delete-element-lists"><em>GSASIIElemGUI: GUI to select and delete element lists</em></a></li>
     73<li class="toctree-l2"><a class="reference internal" href="GSASIIGUI.html#gsasiiconstrgui-constraint-gui-routines"><em>GSASIIconstrGUI: Constraint GUI routines</em></a></li>
     74<li class="toctree-l2"><a class="reference internal" href="GSASIIGUI.html#gsasiiimggui-image-gui"><em>GSASIIimgGUI: Image GUI</em></a></li>
     75<li class="toctree-l2"><a class="reference internal" href="GSASIIGUI.html#gsasiipwdgui-powder-pattern-gui-routines"><em>GSASIIpwdGUI: Powder Pattern GUI routines</em></a></li>
     76<li class="toctree-l2"><a class="reference internal" href="GSASIIGUI.html#gsasiirestrgui-restraint-gui-routines"><em>GSASIIrestrGUI: Restraint GUI routines</em></a></li>
     77</ul>
     78</li>
    6779</ul>
    6880</div>
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    r911 r921  
    7373       <td></td>
    7474       <td>
    75        <a href="GSASIIddataGUI.html#module-GSASIIddataGUI"><tt class="xref">GSASIIddataGUI</tt></a></td><td>
     75       <a href="GSASIIGUI.html#module-GSASIIconstrGUI"><tt class="xref">GSASIIconstrGUI</tt></a></td><td>
    7676       <em></em></td></tr>
    7777     <tr>
    7878       <td></td>
    7979       <td>
    80        <a href="GSASIIgrid.html#module-GSASIIgrid"><tt class="xref">GSASIIgrid</tt></a></td><td>
     80       <a href="GSASIIGUI.html#module-GSASIIddataGUI"><tt class="xref">GSASIIddataGUI</tt></a></td><td>
     81       <em></em></td></tr>
     82     <tr>
     83       <td></td>
     84       <td>
     85       <a href="GSASIIGUI.html#module-GSASIIElemGUI"><tt class="xref">GSASIIElemGUI</tt></a></td><td>
     86       <em></em></td></tr>
     87     <tr>
     88       <td></td>
     89       <td>
     90       <a href="GSASIIGUIr.html#module-GSASIIgrid"><tt class="xref">GSASIIgrid</tt></a></td><td>
     91       <em></em></td></tr>
     92     <tr>
     93       <td></td>
     94       <td>
     95       <a href="GSASIIGUI.html#module-GSASIIimgGUI"><tt class="xref">GSASIIimgGUI</tt></a></td><td>
     96       <em></em></td></tr>
     97     <tr>
     98       <td></td>
     99       <td>
     100       <a href="GSASIIGUIr.html#module-GSASIIIO"><tt class="xref">GSASIIIO</tt></a></td><td>
    81101       <em></em></td></tr>
    82102     <tr>
     
    88108       <td></td>
    89109       <td>
    90        <a href="GSASIIphsGUI.html#module-GSASIIphsGUI"><tt class="xref">GSASIIphsGUI</tt></a></td><td>
     110       <a href="GSASIIGUI.html#module-GSASIIphsGUI"><tt class="xref">GSASIIphsGUI</tt></a></td><td>
     111       <em></em></td></tr>
     112     <tr>
     113       <td></td>
     114       <td>
     115       <a href="GSASIIGUI.html#module-GSASIIpwdGUI"><tt class="xref">GSASIIpwdGUI</tt></a></td><td>
     116       <em></em></td></tr>
     117     <tr>
     118       <td></td>
     119       <td>
     120       <a href="GSASIIGUI.html#module-GSASIIrestrGUI"><tt class="xref">GSASIIrestrGUI</tt></a></td><td>
    91121       <em></em></td></tr>
    92122   </table>
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    r911 r921  
    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  • trunk/sphinxdocs/source/index.rst

    r911 r921  
    1010  GSASII.rst
    1111  GSASIImapvars.rst
    12   GSASIIgrid.rst
    13   GSASIIphsGUI.rst
    14   GSASIIddataGUI.rst
     12  GSASIIGUIr.rst
     13  GSASIIGUI.rst
    1514
    1615
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