Changeset 921
- Timestamp:
- May 17, 2013 2:28:19 PM (11 years ago)
- Location:
- trunk/sphinxdocs
- Files:
-
- 10 added
- 6 deleted
- 11 edited
-
build/html/GSASIIGUI.html (added)
-
build/html/GSASIIGUIr.html (added)
-
build/html/GSASIIddataGUI.html (deleted)
-
build/html/GSASIIgrid.html (deleted)
-
build/html/GSASIImapvars.html (modified) (4 diffs)
-
build/html/GSASIIphsGUI.html (deleted)
-
build/html/_modules/GSASIIElemGUI.html (added)
-
build/html/_modules/GSASIIIO.html (added)
-
build/html/_modules/GSASIIconstrGUI.html (added)
-
build/html/_modules/GSASIIddataGUI.html (modified) (3 diffs)
-
build/html/_modules/GSASIIgrid.html (modified) (33 diffs)
-
build/html/_modules/GSASIIimgGUI.html (added)
-
build/html/_modules/GSASIIphsGUI.html (modified) (50 diffs)
-
build/html/_modules/GSASIIpwdGUI.html (added)
-
build/html/_modules/GSASIIrestrGUI.html (added)
-
build/html/_modules/index.html (modified) (1 diff)
-
build/html/genindex.html (modified) (27 diffs)
-
build/html/index.html (modified) (1 diff)
-
build/html/py-modindex.html (modified) (2 diffs)
-
build/html/searchindex.js (modified) (1 diff)
-
build/latex/GSASIIdoc.pdf (modified) (previous)
-
source/GSASIIGUI.rst (added)
-
source/GSASIIGUIr.rst (added)
-
source/GSASIIddataGUI.rst (deleted)
-
source/GSASIIgrid.rst (deleted)
-
source/GSASIIphsGUI.rst (deleted)
-
source/index.rst (modified) (1 diff)
Legend:
- Unmodified
- Added
- Removed
-
trunk/sphinxdocs/build/html/GSASIImapvars.html
r911 r921 27 27 <script type="text/javascript" src="_static/doctools.js"></script> 28 28 <link rel="top" title="GSAS-II 0.2.0 documentation" href="index.html" /> 29 <link rel="next" title="GSAS IIgrid: Basic GUI routines" href="GSASIIgrid.html" />29 <link rel="next" title="GSAS-II GUI Routines" href="GSASIIGUIr.html" /> 30 30 <link rel="prev" title="GSAS-II Main Module" href="GSASII.html" /> 31 31 </head> … … 41 41 >modules</a> |</li> 42 42 <li class="right" > 43 <a href="GSASII grid.html" title="GSASIIgrid: Basic GUI routines"43 <a href="GSASIIGUIr.html" title="GSAS-II GUI Routines" 44 44 accesskey="N">next</a> |</li> 45 45 <li class="right" > … … 507 507 title="previous chapter"><em>GSAS-II Main Module</em></a></p> 508 508 <h4>Next topic</h4> 509 <p class="topless"><a href="GSASII grid.html"510 title="next chapter"><em>GSAS IIgrid: 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> 511 511 <h3>This Page</h3> 512 512 <ul class="this-page-menu"> … … 541 541 >modules</a> |</li> 542 542 <li class="right" > 543 <a href="GSASII grid.html" title="GSASIIgrid: Basic GUI routines"543 <a href="GSASIIGUIr.html" title="GSAS-II GUI Routines" 544 544 >next</a> |</li> 545 545 <li class="right" > -
trunk/sphinxdocs/build/html/_modules/GSASIIddataGUI.html
r911 r921 61 61 <span class="sd">'''</span> 62 62 <span class="sd">*GSASIIddataGUI: Phase Diffraction Data GUI*</span> 63 <span class="sd">============================================</span> 63 <span class="sd">--------------------------------------------</span> 64 64 65 <span class="sd">Module to create the GUI for display of diffraction data * phase</span> 65 66 <span class="sd">information that is shown in the data display window</span> … … 108 109 <span class="c">##### DData routines</span> 109 110 <span class="c">################################################################################ </span> 110 <div class="viewcode-block" id="UpdateDData"><a class="viewcode-back" href="../GSASII ddataGUI.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> 111 112 <span class="sd">'''Display the Diffraction Data associated with a phase</span> 112 113 <span class="sd"> (items where there is a value for each histogram and phase)</span> … … 1040 1041 <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> 1041 1042 <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">'FitIn'</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>1043 1043 <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">'MinSize'</span><span class="p">,</span><span class="n">Size</span>1045 1044 <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> 1046 1045 <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 53 53 <span class="c">#GSASIIgrid - data display routines</span> 54 54 <span class="c">########### SVN repository information ###################</span> 55 <span class="c"># $Date: 2013-05-1 5 18:18:22 -0500 (Wed, 15May 2013) $</span>55 <span class="c"># $Date: 2013-05-16 16:14:33 -0500 (Thu, 16 May 2013) $</span> 56 56 <span class="c"># $Author: toby $</span> 57 <span class="c"># $Revision: 9 06$</span>57 <span class="c"># $Revision: 914 $</span> 58 58 <span class="c"># $URL: https://subversion.xor.aps.anl.gov/pyGSAS/trunk/GSASIIgrid.py $</span> 59 <span class="c"># $Id: GSASIIgrid.py 9 06 2013-05-15 23:18:22Z toby $</span>59 <span class="c"># $Id: GSASIIgrid.py 914 2013-05-16 21:14:33Z toby $</span> 60 60 <span class="c">########### SVN repository information ###################</span> 61 61 <span class="sd">'''</span> 62 62 <span class="sd">*GSASIIgrid: Basic GUI routines*</span> 63 <span class="sd">================================</span> 63 <span class="sd">--------------------------------</span> 64 64 65 65 66 <span class="sd">'''</span> … … 77 78 <span class="kn">import</span> <span class="nn">webbrowser</span> <span class="c"># could postpone this for quicker startup</span> 78 79 <span class="kn">import</span> <span class="nn">GSASIIpath</span> 79 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 9 06$"</span><span class="p">)</span>80 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 914 $"</span><span class="p">)</span> 80 81 <span class="kn">import</span> <span class="nn">GSASIImath</span> <span class="kn">as</span> <span class="nn">G2mth</span> 81 82 <span class="kn">import</span> <span class="nn">GSASIIIO</span> <span class="kn">as</span> <span class="nn">G2IO</span> … … 188 189 <span class="c">################################################################################</span> 189 190 190 <div class="viewcode-block" id="SymOpDialog"><a class="viewcode-back" href="../GSASII grid.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> 191 192 <span class="sd">'''Class to select a symmetry operator</span> 192 193 <span class="sd"> '''</span> … … 292 293 <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> 293 294 </div> 294 <div class="viewcode-block" id="DisAglDialog"><a class="viewcode-back" href="../GSASII grid.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> 295 296 <span class="sd">'''Distance Angle Controls dialog</span> 296 297 <span class="sd"> '''</span> … … 387 388 <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> 388 389 </div> 389 <div class="viewcode-block" id="PickTwoDialog"><a class="viewcode-back" href="../GSASII grid.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> 390 391 <span class="sd">'''This does not seem to be in use</span> 391 392 <span class="sd"> '''</span> … … 453 454 <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> 454 455 </div> 455 <div class="viewcode-block" id="SingleFloatDialog"><a class="viewcode-back" href="../GSASII grid.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> 456 457 <span class="s">'Dialog to obtain a single float value from user'</span> 457 458 <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">'</span><span class="si">%.5g</span><span class="s">'</span><span class="p">):</span> … … 512 513 <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> 513 514 </div> 514 <div class="viewcode-block" id="GridFractionEditor"><a class="viewcode-back" href="../GSASII grid.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> 515 516 <span class="sd">'''A grid cell editor class that allows entry of values as fractions as well</span> 516 517 <span class="sd"> as sine and cosine values [as s() and c()]</span> … … 597 598 <span class="n">evt</span><span class="o">.</span><span class="n">Skip</span><span class="p">()</span> 598 599 </div> 599 <div class="viewcode-block" id="MyHelp"><a class="viewcode-back" href="../GSASII grid.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> 600 601 <span class="sd">'''</span> 601 602 <span class="sd"> A class that creates the contents of a help menu.</span> … … 641 642 <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> 642 643 643 <div class="viewcode-block" id="MyHelp.OnHelpById"><a class="viewcode-back" href="../GSASII grid.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> 644 645 <span class="sd">'''Called when Help on... is pressed in a menu. Brings up</span> 645 646 <span class="sd"> a web page for documentation.</span> … … 652 653 <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> 653 654 </div> 654 <div class="viewcode-block" id="MyHelp.OnHelpAbout"><a class="viewcode-back" href="../GSASII grid.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> 655 656 <span class="s">"Display an 'About GSAS-II' box"</span> 656 657 <span class="k">global</span> <span class="n">__version__</span> … … 671 672 <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> 672 673 </div> 673 <div class="viewcode-block" id="MyHelp.OnCheckUpdates"><a class="viewcode-back" href="../GSASII grid.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> 674 675 <span class="sd">'''Check if the GSAS-II repository has an update for the current source files</span> 675 676 <span class="sd"> and perform that update if requested.</span> … … 755 756 <span class="k">return</span> 756 757 </div></div> 757 <div class="viewcode-block" id="AddHelp"><a class="viewcode-back" href="../GSASII grid.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> 758 759 <span class="sd">'''This class a single entry for the help menu (used on the Mac only):</span> 759 760 <span class="sd"> 'Help on <helpType>': where helpType is a reference to an HTML page to</span> … … 773 774 <span class="bp">self</span><span class="o">.</span><span class="n">HelpById</span> <span class="o">=</span> <span class="n">helpType</span> 774 775 775 <div class="viewcode-block" id="AddHelp.OnHelpById"><a class="viewcode-back" href="../GSASII grid.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> 776 777 <span class="sd">'''Called when Help on... is pressed in a menu. Brings up</span> 777 778 <span class="sd"> a web page for documentation.</span> … … 779 780 <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> 780 781 </div></div> 781 <div class="viewcode-block" id="MyHtmlPanel"><a class="viewcode-back" href="../GSASII grid.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> 782 783 <span class="sd">'''Defines a panel to display Help information'''</span> 783 784 <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> … … 815 816 <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> 816 817 </div> 817 <div class="viewcode-block" id="G2HtmlWindow"><a class="viewcode-back" href="../GSASII grid.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> 818 819 <span class="sd">'''Displays help information in a primitive HTML browser type window</span> 819 820 <span class="sd"> '''</span> … … 836 837 <span class="bp">self</span><span class="o">.</span><span class="n">GetOpenedPageTitle</span><span class="p">())</span> 837 838 </div> 838 <div class="viewcode-block" id="DataFrame"><a class="viewcode-back" href="../GSASII grid.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> 839 840 <span class="sd">'''Create the dataframe window and all the entries in menus. </span> 840 841 <span class="sd"> The binding is for the menus is not done here, but rather is done</span> 841 842 <span class="sd"> where the functions can be accessed (in various GSASII*GUI modules). </span> 842 843 <span class="sd"> '''</span> 843 <div class="viewcode-block" id="DataFrame.Bind"><a class="viewcode-back" href="../GSASII grid.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> 844 845 <span class="sd">'''Override the Bind() function: on the Mac the binding is to</span> 845 846 <span class="sd"> the main window, so that menus operate with any window on top.</span> … … 851 852 <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> 852 853 </div> 853 <div class="viewcode-block" id="DataFrame.PrefillDataMenu"><a class="viewcode-back" href="../GSASII grid.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> 854 855 <span class="sd">'''Create the "standard" part of data frame menus. Note that on Linux and</span> 855 856 <span class="sd"> Windows nothing happens here. On Mac, this menu duplicates the</span> … … 864 865 <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">''</span><span class="p">),</span><span class="n">title</span><span class="o">=</span><span class="s">'|'</span><span class="p">)</span> <span class="c"># add a separator</span> 865 866 </div> 866 <div class="viewcode-block" id="DataFrame.PostfillDataMenu"><a class="viewcode-back" href="../GSASII grid.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> 867 868 <span class="sd">'''Create the "standard" part of data frame menus. Note that on Linux and</span> 868 869 <span class="sd"> Windows, this is the standard help Menu. On Mac, this menu duplicates the</span> … … 1400 1401 <span class="c">################################################################################ </span> 1401 1402 </div> 1402 <div class="viewcode-block" id="GSNoteBook"><a class="viewcode-back" href="../GSASII grid.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> 1403 1404 <span class="sd">'''Notebook used in various locations; implemented with wx.aui extension</span> 1404 1405 <span class="sd"> '''</span> … … 1417 1418 <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> 1418 1419 <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'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> 1419 1428 1420 1429 <span class="c"># def __getattribute__(self,name):</span> … … 1438 1447 <span class="c">################################################################################ </span> 1439 1448 </div> 1440 <div class="viewcode-block" id="GSGrid"><a class="viewcode-back" href="../GSASII grid.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> 1441 1450 <span class="sd">'''Basic wx.Grid implementation</span> 1442 1451 <span class="sd"> '''</span> … … 1462 1471 <span class="c">################################################################################ </span> 1463 1472 </div> 1464 <div class="viewcode-block" id="Table"><a class="viewcode-back" href="../GSASII grid.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> 1465 1474 <span class="sd">'''Basic data table for use with GSgrid</span> 1466 1475 <span class="sd"> '''</span> … … 1601 1610 <span class="c">################################################################################</span> 1602 1611 </div> 1603 <div class="viewcode-block" id="ShowHelp"><a class="viewcode-back" href="../GSASII grid.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> 1604 1613 <span class="sd">'''Called to bring up a web page for documentation.'''</span> 1605 1614 <span class="k">global</span> <span class="n">htmlFirstUse</span> … … 1634 1643 <span class="c">################################################################################ </span> 1635 1644 </div> 1636 <div class="viewcode-block" id="UpdateNotebook"><a class="viewcode-back" href="../GSASII grid.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> 1637 1646 <span class="sd">'''Called when the data tree notebook entry is selected. Allows for</span> 1638 1647 <span class="sd"> editing of the text in that tree entry</span> … … 1658 1667 <span class="c">################################################################################ </span> 1659 1668 </div> 1660 <div class="viewcode-block" id="UpdateControls"><a class="viewcode-back" href="../GSASII grid.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> 1661 1670 <span class="sd">'''Edit overall GSAS-II controls in main Controls data tree entry</span> 1662 1671 <span class="sd"> '''</span> … … 1837 1846 <span class="c">################################################################################ </span> 1838 1847 1839 <div class="viewcode-block" id="UpdateSeqResults"><a class="viewcode-back" href="../GSASII grid.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> 1840 1849 <span class="sd">"""</span> 1841 1850 <span class="sd"> Called when the Sequential Results data tree entry is selected</span> … … 1993 2002 <span class="c">################################################################################ </span> 1994 2003 </div> 1995 <div class="viewcode-block" id="UpdatePWHKPlot"><a class="viewcode-back" href="../GSASII grid.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">'''N ot 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">'''Needs a doc string</span> 1997 2006 <span class="sd"> '''</span> 1998 2007 … … 2039 2048 <span class="c">################################################################################ </span> 2040 2049 </div> 2041 <div class="viewcode-block" id="UpdateHKLControls"><a class="viewcode-back" href="../GSASII grid.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">'''N ot 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">'''Needs a doc string</span> 2043 2052 <span class="sd"> '''</span> 2044 2053 … … 2134 2143 <span class="c">################################################################################ </span> 2135 2144 </div> 2136 <div class="viewcode-block" id="GetPatternTreeDataNames"><a class="viewcode-back" href="../GSASII grid.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">'''N ot 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">'''Needs a doc string</span> 2138 2147 <span class="sd"> '''</span> 2139 2148 <span class="n">names</span> <span class="o">=</span> <span class="p">[]</span> … … 2146 2155 <span class="k">return</span> <span class="n">names</span> 2147 2156 </div> 2148 <div class="viewcode-block" id="GetPatternTreeItemId"><a class="viewcode-back" href="../GSASII grid.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">'''N ot 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">'''Needs a doc string</span> 2150 2159 <span class="sd"> '''</span> 2151 2160 <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> … … 2156 2165 <span class="k">return</span> <span class="mi">0</span> 2157 2166 </div> 2158 <div class="viewcode-block" id="MovePatternTreeToGrid"><a class="viewcode-back" href="../GSASII grid.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">'''N ot 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">'''Needs a doc string</span> 2160 2169 <span class="sd"> '''</span> 2161 2170 … … 2413 2422 <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> 2414 2423 </div> 2415 <div class="viewcode-block" id="SetDataMenuBar"><a class="viewcode-back" href="../GSASII grid.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> 2416 2425 <span class="sd">'''Set the menu for the data frame. On the Mac put this</span> 2417 2426 <span class="sd"> menu for the data tree window instead.</span> … … 2432 2441 <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> 2433 2442 </div> 2434 <div class="viewcode-block" id="HorizontalLine"><a class="viewcode-back" href="../GSASII grid.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> 2435 2444 <span class="sd">'''Draws a horizontal line as wide as the window.</span> 2436 2445 <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 53 53 <span class="c">#GSASII - phase data display routines</span> 54 54 <span class="c">########### SVN repository information ###################</span> 55 <span class="c"># $Date: 2013-05-1 5 18:18:22 -0500 (Wed, 15May 2013) $</span>55 <span class="c"># $Date: 2013-05-16 23:29:00 -0500 (Thu, 16 May 2013) $</span> 56 56 <span class="c"># $Author: toby $</span> 57 <span class="c"># $Revision: 9 06 $</span>57 <span class="c"># $Revision: 916 $</span> 58 58 <span class="c"># $URL: https://subversion.xor.aps.anl.gov/pyGSAS/trunk/GSASIIphsGUI.py $</span> 59 <span class="c"># $Id: GSASIIphsGUI.py 9 06 2013-05-15 23:18:22Z toby $</span>59 <span class="c"># $Id: GSASIIphsGUI.py 916 2013-05-17 04:29:00Z toby $</span> 60 60 <span class="c">########### SVN repository information ###################</span> 61 61 <span class="sd">'''</span> 62 62 <span class="sd">*GSASIIphsGUI: Phase GUI*</span> 63 <span class="sd">=========================</span> 63 <span class="sd">-------------------------</span> 64 64 65 <span class="sd">Module to create the GUI for display of phase information</span> 65 66 <span class="sd">in the data display window when a phase is selected.</span> … … 80 81 <span class="kn">import</span> <span class="nn">cPickle</span> 81 82 <span class="kn">import</span> <span class="nn">GSASIIpath</span> 82 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 9 06 $"</span><span class="p">)</span>83 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 916 $"</span><span class="p">)</span> 83 84 <span class="kn">import</span> <span class="nn">GSASIIlattice</span> <span class="kn">as</span> <span class="nn">G2lat</span> 84 85 <span class="kn">import</span> <span class="nn">GSASIIspc</span> <span class="kn">as</span> <span class="nn">G2spc</span> … … 109 110 110 111 111 <div class="viewcode-block" id="UpdatePhaseData"><a class="viewcode-back" href="../GSASII phsGUI.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> 112 113 <span class="sd">'''Create the data display window contents when a phase is clicked on</span> 113 114 <span class="sd"> in the man (data tree) window.</span> … … 234 235 <span class="sd"> 'Drawing':{}</span> 235 236 <span class="sd"> """</span> 237 <span class="c"># UpdateGeneral execution starts here</span> 236 238 <span class="n">phaseTypes</span> <span class="o">=</span> <span class="p">[</span><span class="s">'nuclear'</span><span class="p">,</span><span class="s">'modulated'</span><span class="p">,</span><span class="s">'magnetic'</span><span class="p">,</span><span class="s">'macromolecular'</span><span class="p">]</span> 237 239 <span class="n">SetupGeneral</span><span class="p">()</span> … … 241 243 <span class="n">MCSA</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'MCSA controls'</span><span class="p">]</span> 242 244 <span class="n">PWDR</span> <span class="o">=</span> <span class="nb">any</span><span class="p">([</span><span class="s">'PWDR'</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">'Histograms'</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> 243 246 244 <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> 246 248 <span class="k">def</span> <span class="nf">OnPhaseName</span><span class="p">(</span><span class="n">event</span><span class="p">):</span> 247 249 <span class="n">oldName</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'Name'</span><span class="p">]</span> … … 282 284 <span class="n">Text</span> <span class="o">+=</span> <span class="n">line</span><span class="o">+</span><span class="s">'</span><span class="se">\n</span><span class="s">'</span> 283 285 <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> 285 287 <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> 286 288 287 289 <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">' Phase 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>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">'Name'</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">' Phase 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> 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">'Name'</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> 290 292 <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> 291 293 <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> 292 294 <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">' Phase type: '</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">'Type'</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">' Phase type: '</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">'Type'</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">phaseTypes</span><span class="p">,</span> 295 297 <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> 296 298 <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> 297 299 <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">' Space group: '</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">'SGData'</span><span class="p">][</span><span class="s">'SpGrp'</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">' Space group: '</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">'SGData'</span><span class="p">][</span><span class="s">'SpGrp'</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> 300 302 <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> 301 303 <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> … … 411 413 <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> 412 414 <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">'Refine unit cell:'</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">'Refine unit cell:'</span><span class="p">)</span> 414 416 <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> 415 417 <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> … … 417 419 <span class="n">cellList</span> <span class="o">=</span> <span class="p">[]</span> 418 420 <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> 420 422 <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> 422 424 <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> 423 425 <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> … … 426 428 <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> 427 429 <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> 429 431 <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> 430 432 <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> … … 446 448 447 449 <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">'AtomTypes'</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">' Elements'</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">' Elements'</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> 449 451 <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">'AtomTypes'</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> 451 453 <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> 452 454 <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">' Isotope'</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">' Isotope'</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> 454 456 <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">'AtomTypes'</span><span class="p">]:</span> 455 457 <span class="n">choices</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'Isotopes'</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">'Isotope'</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">'Isotope'</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> 457 459 <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> 458 460 <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> 459 461 <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> 460 462 <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">' No. per cell'</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">' No. per cell'</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> 462 464 <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">'AtomTypes'</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">'</span><span class="si">%.1f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">'NoAtoms'</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">'</span><span class="si">%.1f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">'NoAtoms'</span><span class="p">][</span><span class="n">elem</span><span class="p">]),</span> 464 466 <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> 465 467 <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> 466 468 <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">' Atom weight'</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">' Atom weight'</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> 468 470 <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">'AtomMass'</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">'</span><span class="si">%.3f</span><span class="s">'</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">'</span><span class="si">%.3f</span><span class="s">'</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> 470 472 <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> 471 473 <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">' Bond radii'</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">' Bond radii'</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> 473 475 <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">'BondRadii'</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">'</span><span class="si">%.2f</span><span class="s">'</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">'</span><span class="si">%.2f</span><span class="s">'</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> 475 477 <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> 476 478 <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">' Angle radii'</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">' Angle radii'</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> 478 480 <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">'AngleRadii'</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">'</span><span class="si">%.2f</span><span class="s">'</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">'</span><span class="si">%.2f</span><span class="s">'</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> 480 482 <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> 481 483 <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">' van der Waals radii'</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">' van der Waals radii'</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> 483 485 <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">'vdWRadii'</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">'</span><span class="si">%.2f</span><span class="s">'</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">'</span><span class="si">%.2f</span><span class="s">'</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> 485 487 <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> 486 488 <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">' Default color'</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">' Default color'</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> 488 490 <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">'Color'</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">''</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">''</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> 490 492 <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> 491 493 <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> … … 497 499 <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> 498 500 <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">' Density: '</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">'</span><span class="si">%.3f</span><span class="s">'</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">' Density: '</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">'</span><span class="si">%.3f</span><span class="s">'</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> 501 503 <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> 502 504 <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> 503 505 <span class="n">mattTxt</span> <span class="o">=</span> <span class="bp">None</span> 504 506 <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'macromolecular'</span> <span class="ow">and</span> <span class="n">mass</span> <span class="o">></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">' Matthews coeff.: '</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">' Matthews coeff.: '</span><span class="p">),</span> 506 508 <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">'</span><span class="si">%.3f</span><span class="s">'</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">'</span><span class="si">%.3f</span><span class="s">'</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> 508 510 <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> 509 511 <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> … … 534 536 535 537 <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">' Pawley controls: '</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">' Do Pawley refinement?'</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">' Pawley controls: '</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">' Do Pawley refinement?'</span><span class="p">)</span> 538 540 <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">'doPawley'</span><span class="p">])</span> 539 541 <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> 540 542 <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">' Pawley dmin: '</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">'</span><span class="si">%.3f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">'Pawley dmin'</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">' Pawley dmin: '</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">'</span><span class="si">%.3f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">'Pawley dmin'</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> 543 545 <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> 544 546 <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> 545 547 <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">' Pawley neg. wt.: '</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">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">'Pawley neg 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_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">' Pawley neg. wt.: '</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">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">'Pawley neg 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_PROCESS_ENTER</span><span class="p">)</span> 548 550 <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> 549 551 <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> … … 587 589 <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> 588 590 <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">' Fourier map controls: Map type: '</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">'MapType'</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">' Fourier map controls: Map type: '</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">'MapType'</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">mapTypes</span><span class="p">,</span> 591 593 <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> 592 594 <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> 593 595 <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">' Reflection set from: '</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">'RefList'</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">' Reflection set from: '</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">'RefList'</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">refList</span><span class="p">,</span> 596 598 <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> 597 599 <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> … … 599 601 <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> 600 602 <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">' Resolution: '</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">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">Map</span><span class="p">[</span><span class="s">'Resolution'</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">' Resolution: '</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">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">Map</span><span class="p">[</span><span class="s">'Resolution'</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> 603 605 <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> 604 606 <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> 605 607 <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">' Peak cutoff %: '</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">'</span><span class="si">%.1f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">Map</span><span class="p">[</span><span class="s">'cutOff'</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">' Peak cutoff %: '</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">'</span><span class="si">%.1f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">Map</span><span class="p">[</span><span class="s">'cutOff'</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> 608 610 <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> 609 611 <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> … … 655 657 <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> 656 658 <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">' Charge flip controls: Reflection set from: '</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">'RefList'</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">' Charge flip controls: Reflection set from: '</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">'RefList'</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">refList</span><span class="p">,</span> 659 661 <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> 660 662 <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> 661 663 <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">' Normalizing element: '</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">'Norm element'</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">' Normalizing element: '</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">'Norm element'</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> 664 666 <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> 665 667 <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> 666 668 <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> 667 669 <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">' Resolution: '</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">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">Flip</span><span class="p">[</span><span class="s">'Resolution'</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">' Resolution: '</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">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">Flip</span><span class="p">[</span><span class="s">'Resolution'</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> 670 672 <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> 671 673 <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> 672 674 <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">' k-Factor (0.1-1.2): '</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">'</span><span class="si">%.3f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">Flip</span><span class="p">[</span><span class="s">'k-factor'</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">' k-Factor (0.1-1.2): '</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">'</span><span class="si">%.3f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">Flip</span><span class="p">[</span><span class="s">'k-factor'</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> 675 677 <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> 676 678 <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> 677 679 <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">' k-Max (>=10.0): '</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">'</span><span class="si">%.1f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">Flip</span><span class="p">[</span><span class="s">'k-Max'</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">' k-Max (>=10.0): '</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">'</span><span class="si">%.1f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">Flip</span><span class="p">[</span><span class="s">'k-Max'</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> 680 682 <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> 681 683 <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> … … 743 745 <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> 744 746 <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">' Monte Carlo/Simulated Annealing controls: Reflection set from: '</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">'Data source'</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">' Monte Carlo/Simulated Annealing controls: Reflection set from: '</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">'Data source'</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">refList</span><span class="p">,</span> 747 749 <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> 748 750 <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> 749 751 <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">' d-min: '</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">'</span><span class="si">%.3f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">MCSA</span><span class="p">[</span><span class="s">'dmin'</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">' d-min: '</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">'</span><span class="si">%.3f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">MCSA</span><span class="p">[</span><span class="s">'dmin'</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> 752 754 <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> 753 755 <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> … … 757 759 <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> 758 760 <span class="n">Achoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">'Normal'</span><span class="p">,</span><span class="s">'Random jump'</span><span class="p">,</span><span class="s">'Tremayne jump'</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">' MC/SA algorithm: '</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">'Algolrithm'</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">' MC/SA algorithm: '</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">'Algolrithm'</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">Achoice</span><span class="p">,</span> 761 763 <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> 762 764 <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> … … 764 766 <span class="k">if</span> <span class="s">'Tremayne'</span> <span class="ow">in</span> <span class="n">MCSA</span><span class="p">[</span><span class="s">'Algolrithm'</span><span class="p">]:</span> 765 767 <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">' A-jump: '</span><span class="p">,</span><span class="s">' B-jump: '</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">'</span><span class="si">%.3f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">MCSA</span><span class="p">[</span><span class="s">'Jump coeff'</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">'</span><span class="si">%.3f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">MCSA</span><span class="p">[</span><span class="s">'Jump coeff'</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> 768 770 <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> 769 771 <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> … … 773 775 <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> 774 776 <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">' Annealing schedule: '</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">' Annealing schedule: '</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> 776 778 <span class="n">names</span> <span class="o">=</span> <span class="p">[</span><span class="s">' Start temp: '</span><span class="p">,</span><span class="s">' Final temp: '</span><span class="p">,</span><span class="s">' Slope: '</span><span class="p">,</span><span class="s">' No. trials: '</span><span class="p">]</span> 777 779 <span class="n">fmts</span> <span class="o">=</span> <span class="p">[</span><span class="s">'</span><span class="si">%.1f</span><span class="s">'</span><span class="p">,</span><span class="s">'</span><span class="si">%.5f</span><span class="s">'</span><span class="p">,</span><span class="s">'</span><span class="si">%.2f</span><span class="s">'</span><span class="p">,</span><span class="s">'</span><span class="si">%d</span><span class="s">'</span><span class="p">]</span> 778 780 <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">'Annealing'</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">'Annealing'</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> 781 783 <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> 782 784 <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> … … 786 788 <span class="k">return</span> <span class="n">mcsaSizer</span> 787 789 788 <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> 791 793 <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> 792 794 <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> … … 803 805 <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> 804 806 <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> 806 808 807 809 <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> 809 811 810 812 <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> 812 814 813 815 <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> 815 817 816 818 <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> 817 819 818 <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> 822 819 823 <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't let initial size get larger than 500 points</span> 822 830 <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> 823 831 <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> 824 837 <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>826 838 <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">''</span><span class="p">)</span> 827 839 … … 1775 1787 1776 1788 <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">''</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">''</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">'General'</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">'Drawing'</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">'atomPtrs'</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">'Atoms'</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">':10,5'</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">": ,lines,vdW balls,sticks,balls & sticks,ellipsoids,polyhedra"</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">": ,type,name,number"</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">' '</span><span class="p">,</span><span class="s">'lines'</span><span class="p">,</span><span class="s">'vdW balls'</span><span class="p">,</span><span class="s">'sticks'</span><span class="p">,</span><span class="s">'balls & sticks'</span><span class="p">,</span><span class="s">'ellipsoids'</span><span class="p">,</span><span class="s">'polyhedra'</span><span class="p">]</span>1790 <span class="n">labelChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">' '</span><span class="p">,</span><span class="s">'type'</span><span class="p">,</span><span class="s">'name'</span><span class="p">,</span><span class="s">'number'</span><span class="p">]</span>1791 <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">'Name'</span><span class="p">,</span><span class="s">'Type'</span><span class="p">,</span><span class="s">'x'</span><span class="p">,</span><span class="s">'y'</span><span class="p">,</span><span class="s">'z'</span><span class="p">,</span><span class="s">'Sym Op'</span><span class="p">,</span><span class="s">'Style'</span><span class="p">,</span><span class="s">'Label'</span><span class="p">,</span><span class="s">'Color'</span><span class="p">,</span><span class="s">'I/A'</span><span class="p">]</span>1792 <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'macromolecular'</span><span class="p">:</span>1793 <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">'Residue'</span><span class="p">,</span><span class="s">'1-letter'</span><span class="p">,</span><span class="s">'Chain'</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">": ,lines,vdW balls,sticks,balls & sticks,ellipsoids,backbone,ribbons,schematic"</span>1796 <span class="n">styleChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">' '</span><span class="p">,</span><span class="s">'lines'</span><span class="p">,</span><span class="s">'vdW balls'</span><span class="p">,</span><span class="s">'sticks'</span><span class="p">,</span><span class="s">'balls & sticks'</span><span class="p">,</span><span class="s">'ellipsoids'</span><span class="p">,</span><span class="s">'backbone'</span><span class="p">,</span><span class="s">'ribbons'</span><span class="p">,</span><span class="s">'schematic'</span><span class="p">]</span>1797 <span class="n">labelChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">' '</span><span class="p">,</span><span class="s">'type'</span><span class="p">,</span><span class="s">'name'</span><span class="p">,</span><span class="s">'number'</span><span class="p">,</span><span class="s">'residue'</span><span class="p">,</span><span class="s">'1-letter'</span><span class="p">,</span><span class="s">'chain'</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">": ,type,name,number,residue,1-letter,chain"</span>1799 <span class="c"># elif generalData['Type'] == 'modulated':</span>1800 <span class="c"># Types += []</span>1801 <span class="c"># colLabels += []</span>1802 1803 1789 <span class="k">def</span> <span class="nf">RefreshAtomGrid</span><span class="p">(</span><span class="n">event</span><span class="p">):</span> 1804 1805 1790 <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> 1806 1791 <span class="n">choice</span> <span class="o">=</span> <span class="p">[]</span> … … 1935 1920 <span class="n">drawingData</span><span class="p">[</span><span class="s">'selectedAtoms'</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> 1936 1921 <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">''</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">'General'</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">'Drawing'</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">'atomPtrs'</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">'Atoms'</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">':10,5'</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">": ,lines,vdW balls,sticks,balls & sticks,ellipsoids,polyhedra"</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">": ,type,name,number"</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">' '</span><span class="p">,</span><span class="s">'lines'</span><span class="p">,</span><span class="s">'vdW balls'</span><span class="p">,</span><span class="s">'sticks'</span><span class="p">,</span><span class="s">'balls & sticks'</span><span class="p">,</span><span class="s">'ellipsoids'</span><span class="p">,</span><span class="s">'polyhedra'</span><span class="p">]</span> 1937 <span class="n">labelChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">' '</span><span class="p">,</span><span class="s">'type'</span><span class="p">,</span><span class="s">'name'</span><span class="p">,</span><span class="s">'number'</span><span class="p">]</span> 1938 <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">'Name'</span><span class="p">,</span><span class="s">'Type'</span><span class="p">,</span><span class="s">'x'</span><span class="p">,</span><span class="s">'y'</span><span class="p">,</span><span class="s">'z'</span><span class="p">,</span><span class="s">'Sym Op'</span><span class="p">,</span><span class="s">'Style'</span><span class="p">,</span><span class="s">'Label'</span><span class="p">,</span><span class="s">'Color'</span><span class="p">,</span><span class="s">'I/A'</span><span class="p">]</span> 1939 <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'macromolecular'</span><span class="p">:</span> 1940 <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">'Residue'</span><span class="p">,</span><span class="s">'1-letter'</span><span class="p">,</span><span class="s">'Chain'</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">": ,lines,vdW balls,sticks,balls & sticks,ellipsoids,backbone,ribbons,schematic"</span> 1943 <span class="n">styleChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">' '</span><span class="p">,</span><span class="s">'lines'</span><span class="p">,</span><span class="s">'vdW balls'</span><span class="p">,</span><span class="s">'sticks'</span><span class="p">,</span><span class="s">'balls & sticks'</span><span class="p">,</span><span class="s">'ellipsoids'</span><span class="p">,</span><span class="s">'backbone'</span><span class="p">,</span><span class="s">'ribbons'</span><span class="p">,</span><span class="s">'schematic'</span><span class="p">]</span> 1944 <span class="n">labelChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">' '</span><span class="p">,</span><span class="s">'type'</span><span class="p">,</span><span class="s">'name'</span><span class="p">,</span><span class="s">'number'</span><span class="p">,</span><span class="s">'residue'</span><span class="p">,</span><span class="s">'1-letter'</span><span class="p">,</span><span class="s">'chain'</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">": ,type,name,number,residue,1-letter,chain"</span> 1946 <span class="c"># elif generalData['Type'] == 'modulated':</span> 1947 <span class="c"># Types += []</span> 1948 <span class="c"># colLabels += []</span> 1938 1949 <span class="n">table</span> <span class="o">=</span> <span class="p">[]</span> 1939 1950 <span class="n">rowLabels</span> <span class="o">=</span> <span class="p">[]</span> … … 1969 1980 <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">'Style'</span><span class="p">,</span><span class="s">'Label'</span><span class="p">,</span><span class="s">'Color'</span><span class="p">]:</span> 1970 1981 <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> 1972 1986 1973 1987 <span class="n">FindBondsDraw</span><span class="p">()</span> … … 2498 2512 <span class="kn">import</span> <span class="nn">copy</span> 2499 2513 <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">'General'</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">'Cell'</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">'Drawing'</span><span class="p">]</span> 2504 <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'nuclear'</span><span class="p">:</span> 2505 <span class="n">pickChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">'Atoms'</span><span class="p">,</span><span class="s">'Bonds'</span><span class="p">,</span><span class="s">'Torsions'</span><span class="p">,</span><span class="s">'Planes'</span><span class="p">]</span> 2506 <span class="k">elif</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'macromolecular'</span><span class="p">:</span> 2507 <span class="n">pickChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">'Atoms'</span><span class="p">,</span><span class="s">'Residues'</span><span class="p">,</span><span class="s">'Chains'</span><span class="p">,</span><span class="s">'Bonds'</span><span class="p">,</span><span class="s">'Torsions'</span><span class="p">,</span><span class="s">'Planes'</span><span class="p">,</span><span class="s">'phi/psi'</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> 2511 2515 <span class="k">def</span> <span class="nf">OnCameraPos</span><span class="p">(</span><span class="n">event</span><span class="p">):</span> 2512 2516 <span class="n">drawingData</span><span class="p">[</span><span class="s">'cameraPos'</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> … … 2539 2543 <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> 2540 2544 <span class="n">drawingData</span><span class="p">[</span><span class="s">'viewPoint'</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">d ataDisplay</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> 2542 2546 <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> 2543 2547 <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">'viewPoint'</span><span class="p">)]</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="s">'</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">'</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> … … 2579 2583 <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> 2580 2584 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">d ataDisplay</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> 2582 2586 <span class="s">' Camera Distance: '</span><span class="o">+</span><span class="s">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'cameraPos'</span><span class="p">]),</span><span class="n">name</span><span class="o">=</span><span class="s">'cameraPos'</span><span class="p">)</span> 2583 2587 <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">d ataDisplay</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">'cameraPos'</span><span class="p">],</span><span class="n">name</span><span class="o">=</span><span class="s">'cameraSlider'</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">'cameraPos'</span><span class="p">],</span><span class="n">name</span><span class="o">=</span><span class="s">'cameraSlider'</span><span class="p">)</span> 2585 2589 <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> 2586 2590 <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> 2587 2591 <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> 2588 2592 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">d ataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">' Z clipping: '</span><span class="o">+</span><span class="s">'</span><span class="si">%.2f</span><span class="s">A'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'Zclip'</span><span class="p">]</span><span class="o">*</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'cameraPos'</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">' Z clipping: '</span><span class="o">+</span><span class="s">'</span><span class="si">%.2f</span><span class="s">A'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'Zclip'</span><span class="p">]</span><span class="o">*</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'cameraPos'</span><span class="p">]</span><span class="o">/</span><span class="mf">100.</span><span class="p">))</span> 2590 2594 <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">d ataDisplay</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">'Zclip'</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">'Zclip'</span><span class="p">])</span> 2592 2596 <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> 2593 2597 <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> … … 2595 2599 2596 2600 <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">d ataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">' Z step:'</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">d ataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'Zstep'</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">' Z step:'</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">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'Zstep'</span><span class="p">]),</span> 2599 2603 <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> 2600 2604 <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> … … 2603 2607 <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> 2604 2608 <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">d ataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">' Press to step:'</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">d ataDisplay</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">' Press to step:'</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> 2607 2611 <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> 2608 2612 <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> … … 2611 2615 <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> 2612 2616 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">d ataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">' van der Waals scale: '</span><span class="o">+</span><span class="s">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'vdwScale'</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">' van der Waals scale: '</span><span class="o">+</span><span class="s">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'vdwScale'</span><span class="p">]))</span> 2614 2618 <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">d ataDisplay</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">'vdwScale'</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">'vdwScale'</span><span class="p">]))</span> 2616 2620 <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> 2617 2621 <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> 2618 2622 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">d ataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">' Ellipsoid probability: '</span><span class="o">+</span><span class="s">'</span><span class="si">%d%%</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'ellipseProb'</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">' Ellipsoid probability: '</span><span class="o">+</span><span class="s">'</span><span class="si">%d%%</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'ellipseProb'</span><span class="p">]))</span> 2620 2624 <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">d ataDisplay</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">'ellipseProb'</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">'ellipseProb'</span><span class="p">])</span> 2622 2626 <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> 2623 2627 <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> 2624 2628 <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> 2625 2629 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">d ataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">' Ball scale: '</span><span class="o">+</span><span class="s">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'ballScale'</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">' Ball scale: '</span><span class="o">+</span><span class="s">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'ballScale'</span><span class="p">]))</span> 2627 2631 <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">d ataDisplay</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">'ballScale'</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">'ballScale'</span><span class="p">]))</span> 2629 2633 <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> 2630 2634 <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> 2631 2635 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">d ataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">' Bond radius, A: '</span><span class="o">+</span><span class="s">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'bondRadius'</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">' Bond radius, A: '</span><span class="o">+</span><span class="s">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'bondRadius'</span><span class="p">]))</span> 2633 2637 <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">d ataDisplay</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">'bondRadius'</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">'bondRadius'</span><span class="p">]))</span> 2635 2639 <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> 2636 2640 <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> … … 2638 2642 2639 2643 <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'Map'</span><span class="p">][</span><span class="s">'rhoMax'</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">d ataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">' Contour level: '</span><span class="o">+</span><span class="s">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'contourLevel'</span><span class="p">]</span><span class="o">*</span><span class="n">generalData</span><span class="p">[</span><span class="s">'Map'</span><span class="p">][</span><span class="s">'rhoMax'</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">' Contour level: '</span><span class="o">+</span><span class="s">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'contourLevel'</span><span class="p">]</span><span class="o">*</span><span class="n">generalData</span><span class="p">[</span><span class="s">'Map'</span><span class="p">][</span><span class="s">'rhoMax'</span><span class="p">]))</span> 2641 2645 <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">d ataDisplay</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">'contourLevel'</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">'contourLevel'</span><span class="p">]))</span> 2643 2647 <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> 2644 2648 <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> 2645 2649 <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">d ataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">' Map radius, A: '</span><span class="o">+</span><span class="s">'</span><span class="si">%.1f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'mapSize'</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">' Map radius, A: '</span><span class="o">+</span><span class="s">'</span><span class="si">%.1f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'mapSize'</span><span class="p">]))</span> 2647 2651 <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">d ataDisplay</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">'mapSize'</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">'mapSize'</span><span class="p">]))</span> 2649 2653 <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> 2650 2654 <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> … … 2715 2719 <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> 2716 2720 <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">d ataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">' Background color:'</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">d ataDisplay</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">'backColor'</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">' Background color:'</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">'backColor'</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> 2719 2723 <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> 2720 2724 <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">d ataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">' View Dir.:'</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">' View Dir.:'</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 2726 <span class="n">VD</span> <span class="o">=</span> <span class="n">drawingData</span><span class="p">[</span><span class="s">'viewDir'</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">d ataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">'</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">'</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">'</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">'</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> 2724 2728 <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">'viewDir'</span><span class="p">)</span> 2725 2729 <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> … … 2730 2734 2731 2735 <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">d ataDisplay</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">' Show view point?'</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">' Show view point?'</span><span class="p">)</span> 2733 2737 <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> 2734 2738 <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">'showABC'</span><span class="p">])</span> 2735 2739 <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">d ataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">' View Point:'</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">' View Point:'</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> 2737 2741 <span class="n">VP</span> <span class="o">=</span> <span class="n">drawingData</span><span class="p">[</span><span class="s">'viewPoint'</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">d ataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">'</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">'</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">'</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">'</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> 2739 2743 <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">'viewPoint'</span><span class="p">)</span> 2740 2744 <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> … … 2746 2750 <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> 2747 2751 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">d ataDisplay</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">' Show unit cell?'</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">' Show unit cell?'</span><span class="p">)</span> 2749 2753 <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> 2750 2754 <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">'unitCellBox'</span><span class="p">])</span> 2751 2755 <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> 2752 2756 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">d ataDisplay</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">' Show hydrogens?'</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">' Show hydrogens?'</span><span class="p">)</span> 2754 2758 <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> 2755 2759 <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">'showHydrogen'</span><span class="p">])</span> 2756 2760 <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> 2757 2761 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">d ataDisplay</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">' Show rigid Bodies?'</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">' Show rigid Bodies?'</span><span class="p">)</span> 2759 2763 <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> 2760 2764 <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">'showRigidBodies'</span><span class="p">])</span> … … 2786 2790 2787 2791 <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">d ataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">' Hydrogen radius, A: '</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">d ataDisplay</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">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'sizeH'</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">' Hydrogen radius, A: '</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">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'sizeH'</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> 2790 2794 <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> 2791 2795 <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> 2792 2796 <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> 2793 2797 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">d ataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">' Bond search factor: '</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">d ataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'radiusFactor'</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">' Bond search factor: '</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">'</span><span class="si">%.2f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">'radiusFactor'</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> 2796 2800 <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> 2797 2801 <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> … … 2799 2803 <span class="k">return</span> <span class="n">radSizer</span> 2800 2804 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">'General'</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">'Cell'</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">'Drawing'</span><span class="p">]</span> 2810 <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'nuclear'</span><span class="p">:</span> 2811 <span class="n">pickChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">'Atoms'</span><span class="p">,</span><span class="s">'Bonds'</span><span class="p">,</span><span class="s">'Torsions'</span><span class="p">,</span><span class="s">'Planes'</span><span class="p">]</span> 2812 <span class="k">elif</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'macromolecular'</span><span class="p">:</span> 2813 <span class="n">pickChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">'Atoms'</span><span class="p">,</span><span class="s">'Residues'</span><span class="p">,</span><span class="s">'Chains'</span><span class="p">,</span><span class="s">'Bonds'</span><span class="p">,</span><span class="s">'Torsions'</span><span class="p">,</span><span class="s">'Planes'</span><span class="p">,</span><span class="s">'phi/psi'</span><span class="p">]</span> 2814 2801 2815 <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">''</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> 2804 2818 <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> 2805 2819 <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">d ataDisplay</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">' Drawing controls:'</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">' Drawing controls:'</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> 2807 2821 <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> 2808 2822 <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> … … 2812 2826 <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> 2813 2827 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'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> 2819 2843 2820 2844 <span class="c">################################################################################</span> … … 2822 2846 <span class="c">################################################################################</span> 2823 2847 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">''</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">'General'</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">'SGData'</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">'SH Texture'</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">'SH Texture'</span><span class="p">]</span> <span class="o">=</span> <span class="p">{</span><span class="s">'Order'</span><span class="p">:</span><span class="mi">0</span><span class="p">,</span><span class="s">'Model'</span><span class="p">:</span><span class="s">'cylindrical'</span><span class="p">,</span> 2832 <span class="s">'Sample omega'</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">'Sample chi'</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">'Sample phi'</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">'SH Coeff'</span><span class="p">:[</span><span class="bp">False</span><span class="p">,{}],</span><span class="s">'SHShow'</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">'PFhkl'</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">'PFxyz'</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">'PlotType'</span><span class="p">:</span><span class="s">'Pole figure'</span><span class="p">}</span> 2835 <span class="k">if</span> <span class="s">'SHShow'</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">'SHShow'</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">'PFhkl'</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">'PFxyz'</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">'PlotType'</span><span class="p">:</span><span class="s">'Pole figure'</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">'PlotType'</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">'PFxyz'</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">'PlotType'</span><span class="p">:</span><span class="s">'Pole figure'</span><span class="p">})</span> 2841 <span class="n">shModels</span> <span class="o">=</span> <span class="p">[</span><span class="s">'cylindrical'</span><span class="p">,</span><span class="s">'none'</span><span class="p">,</span><span class="s">'shear - 2/m'</span><span class="p">,</span><span class="s">'rolling - mmm'</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">'0'</span><span class="p">,</span><span class="s">'-1'</span><span class="p">,</span><span class="s">'2/m'</span><span class="p">,</span><span class="s">'mmm'</span><span class="p">]))</span> 2843 <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'doPawley'</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">'Sequental results'</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">'omega'</span><span class="p">,</span><span class="s">'chi'</span><span class="p">,</span><span class="s">'phi'</span><span class="p">]</span> 2846 2848 <span class="k">def</span> <span class="nf">UpdateTexture</span><span class="p">():</span> 2847 2849 <span class="k">def</span> <span class="nf">SetSHCoef</span><span class="p">():</span> 2848 2850 <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">'SGLaue'</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">'Model'</span><span class="p">]],</span><span class="n">textureData</span><span class="p">[</span><span class="s">'Order'</span><span class="p">])</span> … … 2939 2941 <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> 2940 2942 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">''</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">'General'</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">'SGData'</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">'SH Texture'</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">'SH Texture'</span><span class="p">]</span> <span class="o">=</span> <span class="p">{</span><span class="s">'Order'</span><span class="p">:</span><span class="mi">0</span><span class="p">,</span><span class="s">'Model'</span><span class="p">:</span><span class="s">'cylindrical'</span><span class="p">,</span> 2951 <span class="s">'Sample omega'</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">'Sample chi'</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">'Sample phi'</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">'SH Coeff'</span><span class="p">:[</span><span class="bp">False</span><span class="p">,{}],</span><span class="s">'SHShow'</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">'PFhkl'</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">'PFxyz'</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">'PlotType'</span><span class="p">:</span><span class="s">'Pole figure'</span><span class="p">}</span> 2954 <span class="k">if</span> <span class="s">'SHShow'</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">'SHShow'</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">'PFhkl'</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">'PFxyz'</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">'PlotType'</span><span class="p">:</span><span class="s">'Pole figure'</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">'PlotType'</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">'PFxyz'</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">'PlotType'</span><span class="p">:</span><span class="s">'Pole figure'</span><span class="p">})</span> 2960 <span class="n">shModels</span> <span class="o">=</span> <span class="p">[</span><span class="s">'cylindrical'</span><span class="p">,</span><span class="s">'none'</span><span class="p">,</span><span class="s">'shear - 2/m'</span><span class="p">,</span><span class="s">'rolling - mmm'</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">'0'</span><span class="p">,</span><span class="s">'-1'</span><span class="p">,</span><span class="s">'2/m'</span><span class="p">,</span><span class="s">'mmm'</span><span class="p">]))</span> 2962 <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'doPawley'</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">'Sequental results'</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">'omega'</span><span class="p">,</span><span class="s">'chi'</span><span class="p">,</span><span class="s">'phi'</span><span class="p">]</span> 2941 2965 <span class="k">if</span> <span class="n">Texture</span><span class="o">.</span><span class="n">GetSizer</span><span class="p">():</span> 2942 2966 <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> … … 3040 3064 <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> 3041 3065 <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> 3051 3080 <span class="c">################################################################################</span> 3052 3081 <span class="c">##### DData routines - GUI stuff in GSASIIddataGUI.py</span> … … 3163 3192 3164 3193 <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">'Atoms'</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">'General'</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">'AtomPtrs'</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">'Cell'</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">'Rigid bodies'</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">'balls & sticks'</span> 3175 <span class="k">if</span> <span class="s">'macro'</span> <span class="ow">in</span> <span class="n">general</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]:</span> 3176 <span class="n">atomStyle</span> <span class="o">=</span> <span class="s">'sticks'</span> 3177 3194 <span class="sd">'''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"> '''</span> 3178 3197 <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> 3179 3198 <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> … … 3431 3450 <span class="k">return</span> <span class="n">vecrbSizer</span> 3432 3451 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">'Atoms'</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">'General'</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">'AtomPtrs'</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">'Cell'</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">'Rigid bodies'</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">'balls & sticks'</span> 3463 <span class="k">if</span> <span class="s">'macro'</span> <span class="ow">in</span> <span class="n">general</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]:</span> 3464 <span class="n">atomStyle</span> <span class="o">=</span> <span class="s">'sticks'</span> 3433 3465 <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">''</span><span class="p">)</span> 3434 3466 <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> … … 3451 3483 3452 3484 <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 3462 3500 <span class="k">def</span> <span class="nf">OnRBCopyParms</span><span class="p">(</span><span class="n">event</span><span class="p">):</span> 3463 3501 <span class="n">RBObjs</span> <span class="o">=</span> <span class="p">[]</span> … … 3932 3970 3933 3971 <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">''</span><span class="p">)</span>3935 3936 3972 <span class="k">def</span> <span class="nf">KeyEditPawleyGrid</span><span class="p">(</span><span class="n">event</span><span class="p">):</span> 3937 3973 <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> … … 3954 3990 <span class="n">FillPawleyReflectionsGrid</span><span class="p">()</span> 3955 3991 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">''</span><span class="p">)</span> 3956 3994 <span class="k">if</span> <span class="s">'Pawley ref'</span> <span class="ow">in</span> <span class="n">data</span><span class="p">:</span> 3957 3995 <span class="n">PawleyPeaks</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">'Pawley ref'</span><span class="p">]</span> … … 3972 4010 <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> 3973 4011 <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> 3975 4016 3976 4017 <span class="k">def</span> <span class="nf">OnPawleyLoad</span><span class="p">(</span><span class="n">event</span><span class="p">):</span> … … 4119 4160 <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> 4120 4161 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> 4122 4166 <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">''</span><span class="p">)</span> 4123 4167 <span class="k">if</span> <span class="s">'Map Peaks'</span> <span class="ow">in</span> <span class="n">data</span><span class="p">:</span> … … 4397 4441 <span class="s">'Called when the data item window is resized by the user.'</span> 4398 4442 <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">'Resize to'</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>4400 4443 <span class="n">event</span><span class="o">.</span><span class="n">Skip</span><span class="p">()</span> 4401 4444 … … 4502 4545 <span class="k">else</span><span class="p">:</span> 4503 4546 <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> 4505 4548 <span class="n">event</span><span class="o">.</span><span class="n">Skip</span><span class="p">()</span> 4506 4549 4507 4550 <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> 4510 4552 <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">'General'</span><span class="p">)</span> 4511 4553 <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> … … 4513 4555 <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> 4514 4556 <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">'Atoms'</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> 4516 4558 <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">'Draw Options'</span><span class="p">)</span> 4517 4559 <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 49 49 <h1>All modules for which code is available</h1> 50 50 <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> 51 54 <li><a href="GSASIIddataGUI.html">GSASIIddataGUI</a></li> 52 55 <li><a href="GSASIIgrid.html">GSASIIgrid</a></li> 56 <li><a href="GSASIIimgGUI.html">GSASIIimgGUI</a></li> 53 57 <li><a href="GSASIImapvars.html">GSASIImapvars</a></li> 54 58 <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> 55 61 </ul> 56 62 -
trunk/sphinxdocs/build/html/genindex.html
r911 r921 76 76 <td style="width: 33%" valign="top"><dl> 77 77 78 <dt><a href="GSASII grid.html#GSASIIgrid.AddHelp">AddHelp (class in GSASIIgrid)</a>78 <dt><a href="GSASIIGUIr.html#GSASIIgrid.AddHelp">AddHelp (class in GSASIIgrid)</a> 79 79 </dt> 80 80 … … 86 86 <td style="width: 33%" valign="top"><dl> 87 87 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> 89 95 </dt> 90 96 … … 100 106 101 107 108 <dt><a href="GSASIIGUIr.html#GSASIIIO.CheckImageFile">CheckImageFile() (in module GSASIIIO)</a> 109 </dt> 110 111 102 112 <dt><a href="GSASII.html#GSASII.GSASII.CheckNotebook">CheckNotebook() (GSASII.GSASII method)</a> 103 113 </dt> … … 109 119 </dt> 110 120 121 122 <dt><a href="GSASIIGUIr.html#GSASIIIO.ImportBaseclass.ContentsValidator">ContentsValidator() (GSASIIIO.ImportBaseclass method)</a> 123 </dt> 124 111 125 </dl></td> 112 126 </tr></table> … … 116 130 <td style="width: 33%" valign="top"><dl> 117 131 118 <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> 119 137 </dt> 120 138 … … 130 148 131 149 132 <dt><a href="GSASII grid.html#GSASIIgrid.DisAglDialog">DisAglDialog (class in GSASIIgrid)</a>150 <dt><a href="GSASIIGUIr.html#GSASIIgrid.DisAglDialog">DisAglDialog (class in GSASIIgrid)</a> 133 151 </dt> 134 152 … … 140 158 <td style="width: 33%" valign="top"><dl> 141 159 160 <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> 169 142 170 <dt><a href="GSASII.html#GSASII.GSASII.ErrorDialog">ErrorDialog() (GSASII.GSASII method)</a> 143 171 </dt> 144 172 145 </dl></td>146 <td style="width: 33%" valign="top"><dl>147 173 148 174 <dt><a href="GSASII.html#GSASII.GSASII.ExitMain">ExitMain() (GSASII.GSASII method)</a> … … 150 176 151 177 </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> 152 188 </tr></table> 153 189 … … 156 192 <td style="width: 33%" valign="top"><dl> 157 193 194 <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> 199 158 200 <dt><a href="GSASII.html#GSASII.GSASII.FillMainMenu">FillMainMenu() (GSASII.GSASII method)</a> 159 201 </dt> … … 166 208 <td style="width: 33%" valign="top"><dl> 167 209 168 <dt><a href="GSASII grid.html#GSASIIgrid.G2HtmlWindow">G2HtmlWindow (class in GSASIIgrid)</a>210 <dt><a href="GSASIIGUIr.html#GSASIIgrid.G2HtmlWindow">G2HtmlWindow (class in GSASIIgrid)</a> 169 211 </dt> 170 212 … … 178 220 179 221 222 <dt><a href="GSASIIGUIr.html#GSASIIIO.GetEdfData">GetEdfData() (in module GSASIIIO)</a> 223 </dt> 224 225 180 226 <dt><a href="GSASII.html#GSASII.GSASII.GetFileList">GetFileList() (GSASII.GSASII method)</a> 181 227 </dt> 182 228 183 229 230 <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> 236 237 184 238 <dt><a href="GSASII.html#GSASII.GSASII.GetHKLFdatafromTree">GetHKLFdatafromTree() (GSASII.GSASII method)</a> 185 239 </dt> 186 240 187 241 242 <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> 248 249 188 250 <dt><a href="GSASIImapvars.html#GSASIImapvars.GetIndependentVars">GetIndependentVars() (in module GSASIImapvars)</a> 189 251 </dt> 190 252 191 253 192 <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> 197 263 </dt> 198 264 … … 206 272 207 273 274 <dt><a href="GSASIIGUIr.html#GSASIIIO.GetPowderPeaks">GetPowderPeaks() (in module GSASIIIO)</a> 275 </dt> 276 277 208 278 <dt><a href="GSASII.html#GSASII.GSASII.GetPWDRdatafromTree">GetPWDRdatafromTree() (GSASII.GSASII method)</a> 209 279 </dt> 210 280 211 281 282 <dt><a href="GSASIIGUIr.html#GSASIIIO.GetTifData">GetTifData() (in module GSASIIIO)</a> 283 </dt> 284 285 212 286 <dt><a href="GSASII.html#GSASII.GSASII.GetUsedHistogramsAndPhasesfromTree">GetUsedHistogramsAndPhasesfromTree() (GSASII.GSASII method)</a> 213 287 </dt> … … 217 291 </dt> 218 292 219 220 < dt><a href="GSASIIgrid.html#GSASIIgrid.GridFractionEditor">GridFractionEditor (class in GSASIIgrid)</a>221 </dt>222 223 </d l></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> 298 225 299 226 300 <dt><a href="GSASIImapvars.html#GSASIImapvars.GroupConstraints">GroupConstraints() (in module GSASIImapvars)</a> … … 254 328 255 329 256 <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> 261 351 </dt> 262 352 … … 270 360 271 361 272 <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> 281 379 </dt> 282 380 … … 288 386 <td style="width: 33%" valign="top"><dl> 289 387 290 <dt><a href="GSASII grid.html#GSASIIgrid.HorizontalLine">HorizontalLine() (in module GSASIIgrid)</a>388 <dt><a href="GSASIIGUIr.html#GSASIIgrid.HorizontalLine">HorizontalLine() (in module GSASIIgrid)</a> 291 389 </dt> 292 390 … … 298 396 <td style="width: 33%" valign="top"><dl> 299 397 398 <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> 418 419 300 420 <dt><a href="GSASIImapvars.html#GSASIImapvars.InitVars">InitVars() (in module GSASIImapvars)</a> 301 421 </dt> 302 422 423 424 <dt><a href="GSASIIGUI.html#GSASIIpwdGUI.IsHistogramInAnyPhase">IsHistogramInAnyPhase() (in module GSASIIpwdGUI)</a> 425 </dt> 426 303 427 </dl></td> 304 428 </tr></table> … … 316 440 317 441 318 <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> 329 469 </dt> 330 470 … … 340 480 341 481 342 <dt><a href="GSASII grid.html#GSASIIgrid.MyHelp.OnCheckUpdates">OnCheckUpdates() (GSASIIgrid.MyHelp method)</a>482 <dt><a href="GSASIIGUIr.html#GSASIIgrid.MyHelp.OnCheckUpdates">OnCheckUpdates() (GSASIIgrid.MyHelp method)</a> 343 483 </dt> 344 484 … … 372 512 373 513 374 <dt><a href="GSASII grid.html#GSASIIgrid.MyHelp.OnHelpAbout">OnHelpAbout() (GSASIIgrid.MyHelp method)</a>375 </dt> 376 377 378 <dt><a href="GSASII grid.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> 379 519 </dt> 380 520 381 521 <dd><dl> 382 522 383 <dt><a href="GSASII grid.html#GSASIIgrid.MyHelp.OnHelpById">(GSASIIgrid.MyHelp method)</a>523 <dt><a href="GSASIIGUIr.html#GSASIIgrid.MyHelp.OnHelpById">(GSASIIgrid.MyHelp method)</a> 384 524 </dt> 385 525 … … 478 618 <td style="width: 33%" valign="top"><dl> 479 619 480 <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> 491 659 </dt> 492 660 … … 495 663 </dt> 496 664 665 666 <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> 676 497 677 </dl></td> 498 678 </tr></table> … … 502 682 <td style="width: 33%" valign="top"><dl> 503 683 684 <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> 693 504 694 <dt><a href="GSASII.html#GSASII.GSASII.ReadPowderInstprm">ReadPowderInstprm() (GSASII.GSASII method)</a> 505 695 </dt> 506 696 507 </dl></td>508 <td style="width: 33%" valign="top"><dl>509 697 510 698 <dt><a href="GSASII.html#GSASII.GSASII.ReadPowderIparm">ReadPowderIparm() (GSASII.GSASII method)</a> … … 518 706 <td style="width: 33%" valign="top"><dl> 519 707 520 <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> 736 533 737 534 738 <dt><a href="GSASIImapvars.html#GSASIImapvars.StoreEquivalence">StoreEquivalence() (in module GSASIImapvars)</a> … … 536 740 537 741 538 <dt><a href="GSASII grid.html#GSASIIgrid.SymOpDialog">SymOpDialog (class in GSASIIgrid)</a>742 <dt><a href="GSASIIGUIr.html#GSASIIgrid.SymOpDialog">SymOpDialog (class in GSASIIgrid)</a> 539 743 </dt> 540 744 … … 546 750 <td style="width: 33%" valign="top"><dl> 547 751 548 <dt><a href="GSASII grid.html#GSASIIgrid.Table">Table (class in GSASIIgrid)</a>752 <dt><a href="GSASIIGUIr.html#GSASIIgrid.Table">Table (class in GSASIIgrid)</a> 549 753 </dt> 550 754 … … 556 760 <td style="width: 33%" valign="top"><dl> 557 761 558 <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> 585 855 </dt> 586 856 -
trunk/sphinxdocs/build/html/index.html
r911 r921 62 62 </ul> 63 63 </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> 67 79 </ul> 68 80 </div> -
trunk/sphinxdocs/build/html/py-modindex.html
r911 r921 73 73 <td></td> 74 74 <td> 75 <a href="GSASII ddataGUI.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> 76 76 <em></em></td></tr> 77 77 <tr> 78 78 <td></td> 79 79 <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> 81 101 <em></em></td></tr> 82 102 <tr> … … 88 108 <td></td> 89 109 <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> 91 121 <em></em></td></tr> 92 122 </table> -
trunk/sphinxdocs/build/html/searchindex.js
r911 r921 1 Search.setIndex({objects:{"":{GSASII mapvars:[3,0,1,""],GSASII:[4,0,1,""],GSASIIphsGUI:[1,0,1,""],GSASIIgrid:[2,0,1,""],GSASIIddataGUI:[5,0,1,""]},GSASIIphsGUI:{UpdatePhaseData:[1,1,1,""]},GSASIIgrid:{AddHelp:[2,3,1,""],UpdatePWHKPlot:[2,1,1,""],MyHelp:[2,3,1,""],DataFrame:[2,3,1,""],GetPatternTreeItemId:[2,1,1,""],GridFractionEditor:[2,3,1,""],GetPatternTreeDataNames:[2,1,1,""],HorizontalLine:[2,1,1,""],UpdateSeqResults:[2,1,1,""],GSNoteBook:[2,3,1,""],GSGrid:[2,3,1,""],UpdateNotebook:[2,1,1,""],UpdateHKLControls:[2,1,1,""],MovePatternTreeToGrid:[2,1,1,""],ShowHelp:[2,1,1,""],PickTwoDialog:[2,3,1,""],DisAglDialog:[2,3,1,""],MyHtmlPanel:[2,3,1,""],G2HtmlWindow:[2,3,1,""],SingleFloatDialog:[2,3,1,""],SymOpDialog:[2,3,1,""],SetDataMenuBar:[2,1,1,""],UpdateControls:[2,1,1,""],Table:[2,3,1,""]},GSASIImapvars:{ComputeDepESD:[3,1,1,""],GenerateConstraints:[3,1,1,""],GetIndependentVars:[3,1,1,""],GroupConstraints:[3,1,1,""],CheckConstraints:[3,1,1,""],GetDependentVars:[3,1,1,""],GramSchmidtOrtho:[3,1,1,""],InitVars:[3,1,1,""],StoreEquivalence:[3,1,1,""],Dict2Map:[3,1,1,""],VarRemapShow:[3,1,1,""],PrintIndependentVars:[3,1,1,""],Map2Dict:[3,1,1,""],Dict2Deriv:[3,1,1,""]},GSASII:{GSASIImain:[4,3,1,""],GSASII:[4,3,1,""],main:[4,1,1,""]},"GSASII.GSASIImain":{OnInit:[4,2,1,""]},GSASIIddataGUI:{UpdateDData:[5,1,1,""]},"GSASIIgrid.MyHelp":{OnHelpById:[2,2,1,""],OnHelpAbout:[2,2,1,""],OnCheckUpdates:[2,2,1,""]},"GSASIIgrid.DataFrame":{PostfillDataMenu:[2,2,1,""],Bind:[2,2,1,""],PrefillDataMenu:[2,2,1,""]},"GSASIIgrid.AddHelp":{OnHelpById:[2,2,1,""]},"GSASII.GSASII":{OnImportPhase:[4,2,1,""],CopyDialog:[4,3,1,""],OnPatternTreeItemDelete:[4,2,1,""],OnImportPowder:[4,2,1,""],OnSize:[4,2,1,""],SumDialog:[4,3,1,""],OnPatternTreeItemCollapsed:[4,2,1,""],OnRefine:[4,2,1,""],OnFileClose:[4,2,1,""],CheckNotebook:[4,2,1,""],OnFileExit:[4,2,1,""],GetPhaseData:[4,2,1,""],OnImageRead:[4,2,1,""],OnPatternTreeItemExpanded:[4,2,1,""],OnRenameData:[4,2,1,""],OnPwdrSum:[4,2,1,""],ViewParmDialog:[4,3,1,""],OnReadPowderPeaks:[4,2,1,""],GetPWDRdatafromTree:[4,2,1,""],OnImageSum:[4,2,1,""],FillMainMenu:[4,2,1,""],GetUsedHistogramsAndPhasesfromTree:[4,2,1,""],OnSeqRefine:[4,2,1,""],OnImportSfact:[4,2,1,""],OnMakePDFs:[4,2,1,""],OnPatternTreeKeyDown:[4,2,1,""],OnViewLSParms:[4,2,1,""],OnFileSaveas:[4,2,1,""],OnFileSave:[4,2,1,""],ReadPowderIparm:[4,2,1,""],ErrorDialog:[4,2,1,""],GetPowderIparm:[4,2,1,""],OnFileOpen:[4,2,1,""],GetHKLFdatafromTree:[4,2,1,""],OnAddPhase:[4,2,1,""],GetFileList:[4,2,1,""],ExitMain:[4,2,1,""],ReadPowderInstprm:[4,2,1,""],OnImportGeneric:[4,2,1,""],ConstraintDialog:[4,3,1,""],OnDataDelete:[4,2,1,""],OnPatternTreeItemActivated:[4,2,1,""],OnDeletePhase:[4,2,1,""],OnPatternTreeSelChanged:[4,2,1,""]}},terms:{all:[3,4,1,2,5],skip:4,global:[0,3],rowlabel:2,subclass:4,unconstrain:3,follow:2,forceunit:2,acosd:[],row:3,depend:3,helplbl:2,aui:2,elsewher:3,program:[0,4],swap:[],showhelp:2,sourc:[3,4,1,2,5],everi:[3,4],string:[3,4],fals:[3,4,2],sumdialog:4,veri:2,affect:3,map2dict:3,orthonorm:3,tri:4,relval:[],dependentparmlist:3,exitmain:4,gui:[0,1,2,5],diffract:[0,4,5],list:[3,4,2],item:[3,4,1,2,5],vector:3,form:3,cosin:2,varylist:[3,2],prevent:3,importstructfactor:4,second:3,onpatterntreeselchang:[4,1],click:1,append:2,compat:4,what:[4,2],appear:[3,4],sum:4,abl:4,"while":3,checknotebook:4,cell:2,delet:4,usebestvisu:4,"new":[3,4,2],databank:4,gsasiistruct:4,thin:2,copydialog:4,pyopengl:0,deriv:3,printindependentvar:3,gener:[3,1],matplotlib:0,satisfi:3,constrant:3,path:4,sine:2,valu:[3,4,1,2,5],gsasiiio:4,onpatterntreeitemactiv:4,convert:3,fillmainmenu:4,onpwdrsum:4,getpatterntreedatanam:2,shift:2,action:1,chang:3,onviewlsparm:4,overrid:2,repositori:2,extra:2,appli:[3,2],app:[4,2],linearli:3,onfileexit:4,ask:4,dict2deriv:3,"1st":3,instal:0,select:[4,1,2,5],from:[3,4,1,2],describ:3,containt:3,two:[3,4,2],equivalenc:3,call:[3,4,1,2],type:2,more:[3,4],main:[0,4,1,2,5],updatehklcontrol:2,relat:3,fixeddict:3,particular:4,known:4,parm2:3,parm1:3,must:[3,2],none:[3,4,1,2],work:2,importphasereaderlist:4,can:[3,4,2],those:3,problemat:3,control:[4,2],prompt:2,process:[3,2],gethistogramnam:4,share:3,indic:3,getphasedata:4,tab:1,multipl:4,divid:3,rather:[3,2],anoth:[3,1],pwdrname:4,sig:2,instead:2,collaps:4,remap:3,express:3,algebra:3,myhelp:2,after:[3,2],reflect:4,befor:3,mac:[4,2],readerlist:4,mai:4,oninit:4,getindependentvar:3,hklf:[],diagon:[],man:1,attempt:4,menubar:4,bind:2,ny1:3,correspond:3,element:[],caus:3,constraintdialog:4,tailor:4,allow:[3,4,2],onrefin:4,order:2,itemtext:2,help:2,onmakepdf:4,over:2,move:[1,2],mx2:3,becaus:[],mx1:3,held:3,previparm:4,varremapshow:3,still:4,vari:3,paramet:[0,1,2,3,4,5],formatconstraint:[],style:2,group:3,fix:3,getdependentvar:3,getpatterntreeitemid:2,platform:2,window:[4,1,2,5],gsasiiddata:1,onc:3,gridfractioneditor:2,oncheckupd:2,them:3,independ:3,"return":[3,4],thei:3,python:0,overal:2,newatomdict:2,initi:3,readpowderinstprm:4,onimageread:4,now:3,bank:4,choic:2,term:3,singlefloatdialog:2,name:[3,4,2],edit:[4,2],close:4,paramprefix:3,separ:[4,2],compris:3,importpowderreaderlist:4,g2htmlwindow:2,found:[0,4],updat:[3,2],button:4,harm:3,wxapp:4,updateseqresult:2,replac:[],checkconstraint:3,each:[3,4,5],expect:4,slave:3,happen:2,gsnotebook:2,event:[4,2],out:3,variabl:[0,2,3],shown:5,matrix:2,onaddphas:4,open:[4,2],newli:3,singular:3,content:[4,1,2],readpowderiparm:4,rel:3,reader:4,print:3,correct:4,matric:3,model:3,onsiz:4,given:4,standard:2,onfilesavea:4,theori:4,dictionari:[3,4,1,2,5],constr:3,put:2,org:3,angl:2,could:4,turn:1,notebook:[2,5],place:4,summari:3,assign:3,first:[3,1],oper:2,exchang:[],arrai:[3,4],constrdict:3,number:[3,4],unlik:3,done:[3,1,2],messag:4,symmetri:2,blank:2,agre:4,miss:3,size:2,guess:4,helptyp:2,onreadpowderpeak:4,data:[0,4,1,2,5],top:2,system:2,construct:[],pwdrdata:4,master:3,arrayin:3,gpx:4,conveni:[],"final":3,store:3,storeequival:3,option:[3,4],relationship:3,parm:4,copi:4,specifi:[3,4],part:[3,2],rst:[],onrenamedata:4,than:3,wide:2,kind:2,provid:3,remov:3,tree:[4,1,2],zero:3,structur:4,redefinit:3,project:4,matter:2,param2:3,param1:3,were:4,thu:3,browser:2,comput:3,gsasiigrid:[0,4,1,2],ddata:5,arg:2,ani:[3,4,2],histnam:2,raw:4,gramschmidtortho:3,have:[3,2],tabl:[3,4,2],need:4,seem:2,mjk:3,bht:4,squar:3,equival:3,inform:[3,4,1,2,5],gsasii:[4,1,2],note:[0,4,2,3],also:[3,4],take:3,which:[0,4,1,2,3],hklfname:4,parmlist:3,noth:2,singl:[3,4,2],sure:[4,2],pfile:3,multipli:3,object:[4,1,5],phase:[0,4,1,5],"class":[4,2],readerobject:4,simplif:3,clear:[3,4],later:3,request:2,doe:[4,2],determin:3,derivdict:3,constrain:3,rowechelon:[],datafram:2,show:[3,4,2],text:[4,2],filetyp:4,bring:[1,2],swapcolumn:[],onfileopen:4,find:3,generateconstraint:3,newcelldict:2,involv:3,current:[4,2],onli:[3,4,1,2],locat:2,onimportpowd:4,menu:[4,2],activ:4,setdatamenubar:2,should:[3,4,2],gsasiimapvar:[0,3],dict:[3,4,1,2,5],fillarrai:[],errordialog:4,unus:4,variou:2,get:2,likewis:3,indparmlist:3,cannot:3,requir:0,initvar:3,disagldialog:2,gram:3,contain:[3,4,2],where:[3,4,2,5],view:4,wiki:3,arr:[],set:[3,4,1,2],frame:[4,1,2,5],morehelpitem:2,prefilldatamenu:2,datatyp:[4,2],see:3,powder:4,respons:[4,1],importmenuid:4,sel:[],ondatadelet:4,dependentlist:3,kei:3,correctli:2,redirect:4,sgdata:2,printal:3,wikipedia:3,label:4,between:[3,4],"import":4,parmdict:[3,4],str:[3,4],parent:[4,2],extens:[4,2],onimportphas:4,here:2,deletedata:4,addit:3,both:3,sigdict:3,arraylist:3,equal:3,len:[],inconsist:3,equat:3,pdf:4,uncertainti:3,onfileclos:4,schmidt:3,symopdialog:2,simpli:3,point:[],filldiagon:[],suppli:[3,4],respect:2,clearsigint:4,assum:4,duplic:2,quit:4,gethklfdatafromtre:4,contraint:3,creat:[3,4,1,2,5],gsgrid:2,updatephasedata:1,numpi:0,invers:3,empti:[3,4,2],reldict:[],basic:[0,2],mult2:3,mult1:3,box:2,importsfactreaderlist:4,onseqrefin:4,imag:4,togeth:4,func:[],input:[3,4],last:4,present:[3,4],"case":[3,1],ident:2,look:4,packag:0,ondeletephas:4,onpatterntreekeydown:4,defin:[3,4,2],calcul:4,abov:[3,2],error:[3,4],horizontallin:2,getpwdrdatafromtre:4,getpowderiparm:4,mz2:3,dmdv:3,best:[],access:2,oldpag:1,non:3,echelon:[],origin:3,kwarg:2,ascii:3,sever:3,result:2,horizont:2,develop:0,minim:4,perform:[4,2],make:4,same:[3,4,1,2],handl:2,scrolledwindow:5,complex:3,treeitemid:1,document:[0,2],conflict:3,complet:3,http:3,setvaryflag:3,effect:3,covari:2,user:[4,2],refin:[3,4,2],extern:[0,3],viewparmdialog:4,movepatterntreetogrid:[1,2],expand:4,getusedhistogramsandphasesfromtre:4,redefin:3,appropri:4,picktwodialog:2,entri:[3,2],wtype:4,well:[3,4,2],gsa:[0,1,2,3,4,5],command:2,thi:[0,4,1,2,3],fixedvarlist:3,onpatterntreeitemcollaps:4,latter:3,distanc:2,lastiparmfil:4,addhelp:2,getfilelist:4,obtain:[4,2],equivalanc:3,covmatrix:[3,2],previous:3,web:2,instbank:4,mix:3,except:[],param:[],instrument:4,add:[4,2],onhelpabout:2,primit:2,hklfdata:4,save:[3,4],modul:[0,1,2,3,4,5],match:4,build:3,applic:4,format:[4,2],read:4,onpatterntreeitemexpand:4,grid:2,press:2,associ:[4,5],updatecontrol:2,onhelpbyid:2,sizer:2,specif:4,filenam:4,html:2,either:[3,4],output:3,resiz:4,page:[1,2,5],onfilesav:4,old:4,constr1:3,importphas:4,linux:2,some:[3,1],back:[],self:[4,2],intern:3,wxpython:0,sampl:4,updateddata:5,computedepesd:3,scale:[3,4],implement:[3,2],instfil:4,though:[],definit:3,lastdatafil:4,updatepwhkplot:2,onimportgener:4,esd:[3,2],unit:3,three:3,refer:[4,2],plu:0,previou:1,run:3,independentvar:3,gsasiimain:4,onimportsfact:4,hst:3,parentid:2,invarraylist:3,"throw":[],panel:2,about:2,obj:4,constraint:[0,4,3],column:[],freedom:3,degre:3,dialog:[4,2],updatenotebook:2,postfilldatamenu:2,routin:[0,4,2,3],effici:3,"_init_import":4,"float":[3,2],bound:4,automat:4,dataset:4,nkeep:3,been:3,rd_list:4,factor:4,onpatterntreeitemdelet:4,groupconstraint:3,onimagesum:4,constr2:3,wai:[],why:4,start:[4,2],appl:2,editor:2,fraction:2,"var":3,individu:2,"function":2,properli:2,unexpect:3,tupl:3,histogram:[4,2,5],atom:2,renam:4,line:2,"true":[4,2],leastsq:2,consist:[3,2],possibl:3,"default":[4,1,2],fixedlist:3,displai:[4,1,2,5],gsasiiddatagui:[0,5],crystal:4,scipi:0,limit:[4,2],problem:3,constant:3,evalu:[],"int":[4,1],exist:[3,4],file:[4,2],check:[3,2],fill:[],gsasiipwdgui:4,nx1:3,collabel:2,titl:[4,2],sequenti:[3,4,2],when:[4,1,2,5],detail:3,nam:3,importpowderdata:4,other:[3,1,2],bool:4,varieti:[],draw:2,gsasiiphsgui:[0,1],g2frame:[1,2,5],my1:3,sequenc:2,peak:4,reduc:3,collist:[],myhtmlpanel:2,ignor:3,potenti:4,dict2map:3},objtypes:{"0":"py:module","1":"py:function","2":"py:method","3":"py:class"},titles:["GSAS-II Developer’s Documentation","<em>GSASIIphsGUI: Phase GUI</em>","<em>GSASIIgrid: Basic GUI routines</em>","<em>GSASIImapvars: Parameter constraints</em>","<em>GSAS-II Main Module</em>","<em>GSASIIddataGUI: Phase Diffraction Data GUI</em>"],objnames:{"0":["py","module","Python module"],"1":["py","function","Python function"],"2":["py","method","Python method"],"3":["py","class","Python class"]},filenames:["index","GSASIIphsGUI","GSASIIgrid","GSASIImapvars","GSASII","GSASIIddataGUI"]})1 Search.setIndex({objects:{"":{GSASIIIO:[2,0,1,""],GSASIIpwdGUI:[3,0,1,""],GSASIIphsGUI:[3,0,1,""],GSASIIgrid:[2,0,1,""],GSASIIrestrGUI:[3,0,1,""],GSASIImapvars:[0,0,1,""],GSASII:[1,0,1,""],GSASIIddataGUI:[3,0,1,""],GSASIIconstrGUI:[3,0,1,""],GSASIIElemGUI:[3,0,1,""],GSASIIimgGUI:[3,0,1,""]},GSASIIgrid:{AddHelp:[2,3,1,""],UpdatePWHKPlot:[2,1,1,""],MyHelp:[2,3,1,""],MyHtmlPanel:[2,3,1,""],GetPatternTreeItemId:[2,1,1,""],GridFractionEditor:[2,3,1,""],GetPatternTreeDataNames:[2,1,1,""],HorizontalLine:[2,1,1,""],UpdateSeqResults:[2,1,1,""],GSNoteBook:[2,3,1,""],GSGrid:[2,3,1,""],UpdateNotebook:[2,1,1,""],UpdateHKLControls:[2,1,1,""],MovePatternTreeToGrid:[2,1,1,""],ShowHelp:[2,1,1,""],PickTwoDialog:[2,3,1,""],DisAglDialog:[2,3,1,""],DataFrame:[2,3,1,""],G2HtmlWindow:[2,3,1,""],SingleFloatDialog:[2,3,1,""],SymOpDialog:[2,3,1,""],SetDataMenuBar:[2,1,1,""],UpdateControls:[2,1,1,""],Table:[2,3,1,""]},GSASIImapvars:{ComputeDepESD:[0,1,1,""],GenerateConstraints:[0,1,1,""],GetIndependentVars:[0,1,1,""],GroupConstraints:[0,1,1,""],CheckConstraints:[0,1,1,""],GetDependentVars:[0,1,1,""],GramSchmidtOrtho:[0,1,1,""],InitVars:[0,1,1,""],StoreEquivalence:[0,1,1,""],Dict2Map:[0,1,1,""],VarRemapShow:[0,1,1,""],PrintIndependentVars:[0,1,1,""],Map2Dict:[0,1,1,""],Dict2Deriv:[0,1,1,""]},"GSASIIIO.ImportBaseclass":{ContentsValidator:[2,2,1,""],MultipleBlockSelector:[2,2,1,""],BlockSelector:[2,2,1,""],ExtensionValidator:[2,2,1,""],MultipleChoicesDialog:[2,2,1,""]},"GSASII.GSASII":{OnImportPhase:[1,2,1,""],CopyDialog:[1,3,1,""],OnPatternTreeItemDelete:[1,2,1,""],OnImportPowder:[1,2,1,""],OnSize:[1,2,1,""],SumDialog:[1,3,1,""],OnPatternTreeItemCollapsed:[1,2,1,""],OnRefine:[1,2,1,""],OnFileClose:[1,2,1,""],CheckNotebook:[1,2,1,""],OnFileExit:[1,2,1,""],GetPhaseData:[1,2,1,""],OnImageRead:[1,2,1,""],OnPatternTreeItemExpanded:[1,2,1,""],OnRenameData:[1,2,1,""],OnPwdrSum:[1,2,1,""],ViewParmDialog:[1,3,1,""],OnReadPowderPeaks:[1,2,1,""],GetPWDRdatafromTree:[1,2,1,""],OnImageSum:[1,2,1,""],FillMainMenu:[1,2,1,""],GetUsedHistogramsAndPhasesfromTree:[1,2,1,""],OnSeqRefine:[1,2,1,""],OnPatternTreeKeyDown:[1,2,1,""],OnMakePDFs:[1,2,1,""],OnImportSfact:[1,2,1,""],OnViewLSParms:[1,2,1,""],OnFileSaveas:[1,2,1,""],OnFileSave:[1,2,1,""],ReadPowderIparm:[1,2,1,""],ErrorDialog:[1,2,1,""],GetPowderIparm:[1,2,1,""],OnFileOpen:[1,2,1,""],GetHKLFdatafromTree:[1,2,1,""],OnAddPhase:[1,2,1,""],GetFileList:[1,2,1,""],ExitMain:[1,2,1,""],ReadPowderInstprm:[1,2,1,""],OnImportGeneric:[1,2,1,""],ConstraintDialog:[1,3,1,""],OnDataDelete:[1,2,1,""],OnPatternTreeItemActivated:[1,2,1,""],OnDeletePhase:[1,2,1,""],OnPatternTreeSelChanged:[1,2,1,""]},GSASIIphsGUI:{UpdatePhaseData:[3,1,1,""]},GSASIIrestrGUI:{UpdateRestraints:[3,1,1,""]},GSASII:{GSASIImain:[1,3,1,""],GSASII:[1,3,1,""],main:[1,1,1,""]},"GSASII.GSASIImain":{OnInit:[1,2,1,""]},"GSASIIgrid.MyHelp":{OnHelpById:[2,2,1,""],OnHelpAbout:[2,2,1,""],OnCheckUpdates:[2,2,1,""]},"GSASIIgrid.DataFrame":{PostfillDataMenu:[2,2,1,""],Bind:[2,2,1,""],PrefillDataMenu:[2,2,1,""]},GSASIIElemGUI:{PickElement:[3,3,1,""],DeleteElement:[3,3,1,""]},"GSASIIgrid.AddHelp":{OnHelpById:[2,2,1,""]},GSASIIpwdGUI:{UpdatePeakGrid:[3,1,1,""],UpdateLimitsGrid:[3,1,1,""],UpdatePDFGrid:[3,1,1,""],UpdateBackground:[3,1,1,""],UpdateReflectionGrid:[3,1,1,""],SetDefaultSample:[3,1,1,""],UpdateUnitCellsGrid:[3,1,1,""],UpdateInstrumentGrid:[3,1,1,""],UpdateIndexPeaksGrid:[3,1,1,""],UpdateSampleGrid:[3,1,1,""],IsHistogramInAnyPhase:[3,1,1,""]},"GSASIIIO.ImportStructFactor":{UpdateControls:[2,2,1,""]},"GSASIIIO.ImportPowderData":{powderdata:[2,4,1,""]},GSASIIddataGUI:{UpdateDData:[3,1,1,""]},GSASIIimgGUI:{UpdateImageControls:[3,1,1,""],UpdateMasks:[3,1,1,""],UpdateStressStrain:[3,1,1,""]},"GSASIIElemGUI.DeleteElement":{ElButton:[3,2,1,""]},GSASIIIO:{GetEdfData:[2,1,1,""],ImportStructFactor:[2,3,1,""],GetGEsumData:[2,1,1,""],GetTifData:[2,1,1,""],ImportPowderData:[2,3,1,""],ReadPDBPhase:[2,1,1,""],PDFSave:[2,1,1,""],GetG2Image:[2,1,1,""],powderFxyeSave:[2,1,1,""],ExtractFileFromZip:[2,1,1,""],CheckImageFile:[2,1,1,""],GetImgData:[2,1,1,""],MultipleChoicesDialog:[2,3,1,""],sint:[2,1,1,""],SaveIntegration:[2,1,1,""],FileDlgFixExt:[2,1,1,""],GetImageData:[2,1,1,""],PutG2Image:[2,1,1,""],ProjFileOpen:[2,1,1,""],IndexPeakListSave:[2,1,1,""],ProjFileSave:[2,1,1,""],GetPowderPeaks:[2,1,1,""],GetMAR345Data:[2,1,1,""],ReadEXPPhase:[2,1,1,""],ImportBaseclass:[2,3,1,""],ImportPhase:[2,3,1,""],sfloat:[2,1,1,""],PeakListSave:[2,1,1,""],powderXyeSave:[2,1,1,""]},GSASIIconstrGUI:{UpdateRigidBodies:[3,1,1,""],UpdateConstraints:[3,1,1,""],MultiIntegerDialog:[3,3,1,""]},"GSASIIElemGUI.PickElement":{ElButton:[3,2,1,""]},"GSASIIIO.ImportPhase":{PhaseSelector:[2,2,1,""]}},terms:{"1st":0,all:[0,1,3,2],edf:2,spgrp:2,skip:1,global:[0,4],readpdbphas:2,rowlabel:2,four:2,subclass:1,unconstrain:0,follow:2,forceunit:2,acosd:[],row:0,profil:2,depend:0,helplbl:2,ifnon:3,aui:2,elsewher:0,program:[4,1],pdfsave:2,swap:[],powderfil:2,updatesamplegrid:3,showhelp:2,sourc:[0,1,3,2],everi:[0,1],string:[0,1,3,2],fals:[0,1,3,2],sumdialog:1,updatemask:3,veri:2,affect:0,map2dict:0,orthonorm:0,tri:1,ishistograminanyphas:3,relval:[],dependentparmlist:0,exitmain:1,gui:[4,3,2],diffract:[4,1,3,2],list:[0,1,2,3,4],appropri:1,item:[0,1,3,2],vector:0,form:0,cosin:2,varylist:[0,2],ondeletephas:1,pleas:2,prevent:0,work:2,importstructfactor:[1,2],second:0,onpatterntreeselchang:[1,3],click:3,append:2,compat:1,index:[3,2],what:[1,2],appear:[0,1,2],sum:[1,2],caller:3,abl:1,"while":0,checknotebook:1,cell:[3,2],delet:[4,1,3],usebestvisu:1,"new":[0,1,2],databank:1,gsasiistruct:1,method:2,thin:2,copydialog:1,widget:[3,2],pyopengl:4,deriv:0,printindependentvar:0,gener:[0,3],matplotlib:4,satisfi:0,constrant:0,path:1,sine:2,valu:[0,1,3,2],gsasiiio:[4,1,2],onpatterntreeitemactiv:1,convert:[0,2],fillmainmenu:1,onpwdrsum:1,getpatterntreedatanam:2,shift:2,pick:3,action:3,chang:0,phasenam:3,onviewlsparm:1,overrid:2,via:2,repositori:2,extra:2,appli:[0,2],app:[1,2],submodul:[4,3],linearli:0,onfileexit:1,ask:[1,2],dict2deriv:0,putg2imag:2,instal:4,getimagedata:2,select:[4,1,3,2],from:[0,1,3,2],describ:0,zip:2,elbutton:3,containt:0,two:[0,1,2],equivalenc:0,call:[0,1,3,2],handl:[3,2],calc:2,type:2,more:[0,1,2],main:[4,1,3,2],updatehklcontrol:2,relat:0,"export":2,fixeddict:0,rigid:3,contentsvalid:2,particular:1,known:1,parm2:0,parm1:0,must:[0,2],none:[0,1,3,2],sgpolax:2,importphasereaderlist:1,archiv:2,can:[0,1,2],those:0,problemat:0,control:[1,3,2],prompt:[3,2],scan:2,process:[0,3,2],gethistogramnam:1,share:0,indic:0,getphasedata:1,tab:3,phaseselector:2,multiplechoicesdialog:2,updateindexpeaksgrid:3,unus:1,alwai:2,multipl:1,divid:0,rather:[0,2],anoth:[0,3],european:2,pwdrname:1,brian:[],sig:2,instead:2,collaps:1,checkimagefil:2,remap:0,mar:2,modal:2,overridden:2,algebra:0,myhelp:2,after:[0,2],reflect:[1,3,2],befor:[0,2],mac:[1,2],readerlist:1,mai:1,oninit:1,getindependentvar:0,hklf:3,diagon:[],man:3,stress:3,attempt:[1,2],menubar:1,bind:2,ny1:0,correspond:0,element:[4,3],caus:0,constraintdialog:1,gsasiielemgui:[4,3],projfileopen:2,allow:[0,1,2],onrefin:1,order:2,itemtext:2,help:2,over:2,move:[3,2],mx2:0,becaus:[],mx1:0,top:2,held:0,previparm:1,through:2,varremapshow:0,still:1,vari:0,paramet:[0,1,2,3,4],formatconstraint:[],write:2,style:2,group:0,chosen:2,fix:[0,2],getdependentvar:0,pickid:2,getpatterntreeitemid:2,platform:2,window:[1,3,2],gsasiiddata:3,onc:0,gridfractioneditor:2,oncheckupd:2,them:0,independ:0,"return":[0,1,2],thei:0,python:[4,2],confirmoverwrit:2,overal:2,newatomdict:2,initi:0,readpowderinstprm:1,filedialog:2,onimageread:1,now:0,bank:1,choic:[3,2],term:0,singlefloatdialog:2,name:[0,1,3,2],edit:[1,2],close:1,paramprefix:0,readexpphas:2,setdefaultsampl:3,separ:[1,2],compris:0,importpowderreaderlist:1,g2htmlwindow:2,found:[4,1],updat:[0,2],button:1,xye:2,harm:0,wxapp:1,updateseqresult:2,weight:2,multipleblockselector:2,checkconstraint:0,each:[0,1,3,2],getmar345data:2,expect:[1,2],slave:0,happen:2,gsnotebook:2,extract:2,event:[1,2],out:0,variabl:[0,2,4],shown:3,matrix:2,onaddphas:1,open:[1,2],newli:0,singular:0,content:[1,3,2],readpowderiparm:1,rel:0,reader:[1,2],print:0,correct:[1,2],matric:0,integr:2,model:0,incorrectli:2,onsiz:1,given:1,standard:2,onfilesavea:1,quick:2,base:[3,2],fxye:2,theori:1,dictionari:[0,1,3,2],constr:0,put:2,org:0,fcalcpres:2,sgsy:2,angl:2,could:1,turn:3,notebook:[3,2],place:[1,2],choicelist:2,assign:0,first:[0,3,2],oper:2,softwar:2,peaklistsav:2,exchang:[],arrai:[0,1,2],constrdict:0,misc:[4,2],number:[0,1],unlik:0,alreadi:2,done:[0,3,2],construct:[],symmetri:2,blank:2,agre:1,miss:0,predefin:2,size:2,sgcen:2,guess:1,helptyp:2,onreadpowderpeak:1,data:[4,1,3,2],interact:[3,2],system:2,messag:1,defn:[],pwdrdata:1,gpx:1,arrayin:0,master:0,conveni:[],zipfil:2,"final":0,store:0,editor:2,storeequival:0,updaterestraint:3,option:[0,1,2],relationship:0,parm:1,copi:1,specifi:[0,1,2],selector:2,part:[0,2],rst:[],onrenamedata:1,than:[0,2],wide:2,kind:2,keyword:2,provid:[0,2],remov:0,tree:[1,3,2],zero:[0,2],structur:[1,2],redefinit:0,project:[1,2],matter:2,param2:0,param1:0,were:1,exp:2,thu:0,browser:2,comput:0,abov:[0,2],gsasiigrid:[4,1,3,2],ddata:3,arg:2,ani:[0,1,2],deleteel:3,histnam:2,raw:1,gramschmidtortho:0,have:[0,2],tabl:[0,1,3,2],need:[1,3,2],seem:2,mjk:0,bht:1,pickl:2,powderfxyesav:2,squar:0,equival:0,inform:[0,1,3,2],latter:0,note:[0,1,2,4],also:[0,1,2],maintain:3,take:[0,2],which:[0,1,2,3,4],onmakepdf:1,parmlist:0,noth:2,singl:[0,1,2],sure:1,unless:2,pfile:0,multipli:0,object:[1,3,2],updatestressstrain:3,phase:[4,1,3,2],dlg:2,"class":[1,3,2],usecancel:2,readerobject:1,simplif:0,doc:[3,2],clear:[0,1],later:0,request:2,doe:[1,2],determin:[0,2],pattern:[4,3,2],derivdict:0,constrain:0,axi:2,rowechelon:[],datafram:2,set:[0,1,3,2],show:[0,1,3,2],strictextens:2,text:[1,2],filetyp:1,bring:[3,2],test2:2,sguniq:2,swapcolumn:[],onfileopen:1,find:0,generateconstraint:0,newcelldict:2,involv:0,current:[1,2],onli:[0,1,3,2],locat:2,onimportpowd:1,menu:[1,2],activ:1,setdatamenubar:2,should:[0,1,2],gsasiimapvar:[0,4],dict:[0,1,3,2],fillarrai:[],topa:2,errordialog:1,complex:0,plate:2,sgop:2,pwdr:3,variou:2,get:2,express:0,pickel:3,indparmlist:0,tailor:1,requir:4,initvar:0,consist:[0,2],equivalanc:0,disagldialog:2,oneonli:3,gram:0,contain:[0,1,2],where:[0,1,3,2],summari:0,respond:3,arr:[],fixedlist:0,headinglist:2,frame:[1,3,2],morehelpitem:2,prefilldatamenu:2,datatyp:[1,2],see:[0,2],powder:[4,1,3,2],respons:[1,3],importmenuid:1,sel:[],ondatadelet:1,hklfname:1,dependentlist:0,kei:[0,2],correctli:2,redirect:1,sgdata:2,printal:0,wikipedia:0,below:2,label:1,between:[0,1],"import":[1,2],getg2imag:2,sint:2,parmdict:[0,1],str:[0,1,2],parent:[1,3,2],gsasiirestrgui:[4,3],updateimagecontrol:3,updatereflectiongrid:3,extens:[1,2],onimportphas:1,here:2,indexpeaklistsav:2,deletedata:1,extractfilefromzip:2,addit:0,both:0,sigdict:0,confirmread:2,arraylist:0,equal:0,len:[],inconsist:0,equat:0,sginv:2,pdf:[1,3,2],seri:[3,2],onfileclos:1,pdb:2,extensionlist:2,comment:2,schmidt:0,symopdialog:2,simpli:0,uncertainti:0,point:[],color:3,filldiagon:[],period:3,indici:2,blockselector:2,header:2,getimgdata:2,suppli:[0,1,2],cancel:2,typic:2,clearsigint:1,assum:1,duplic:2,quit:1,gethklfdatafromtre:1,contraint:0,creat:[0,1,3,2],gsgrid:2,updatephasedata:3,numpi:[4,2],invers:0,been:[0,2],reldict:[],treat:2,basic:[4,2],mult2:0,mult1:0,box:2,importsfactreaderlist:1,dreel:[],imag:[4,1,3,2],coordin:2,togeth:1,func:[],input:[0,1,3,2],last:1,present:[0,1,2],"case":[0,3,2],ident:2,look:1,packag:4,replac:[],npix:2,wiki:0,tip:3,onpatterntreekeydown:1,defin:[0,1,3,2],calcul:1,float32:2,cannot:0,error:[0,1],triclin:2,getpwdrdatafromtre:1,getpowderiparm:1,mz2:0,dmdv:0,almost:2,von:[],oldpag:3,non:0,echelon:[],strain:3,kwarg:2,nation:[],ascii:0,sever:0,result:2,horizont:2,develop:4,minim:1,perform:[1,2],histonam:3,make:[1,3],argonn:[],same:[0,1,3,2],extensionvalid:2,onseqrefin:1,scrolledwindow:3,html:2,treeitemid:3,document:[4,2],conflict:0,complet:0,http:0,setvaryflag:0,restraint:[4,3],effect:0,covari:2,user:[1,2],mani:2,extern:[0,4],viewparmdialog:1,movepatterntreetogrid:[3,2],expand:[1,2],getusedhistogramsandphasesfromtre:1,redefin:0,updaterigidbodi:3,picktwodialog:2,onpatterntreeitemexpand:1,entri:[0,3,2],wtype:1,updatelimitsgrid:3,well:[0,1,2],gsa:[0,1,2,3,4],likewis:0,command:2,thi:[0,1,2,3,4],fixedvarlist:0,onpatterntreeitemcollaps:1,gsasii:[1,3,2],test1:2,multiintegerdialog:3,distanc:2,lastiparmfil:1,addhelp:2,getfilelist:1,obtain:[1,2],gsasiiconstrgui:[4,3],fosq:2,tobi:[],covmatrix:[0,2],previous:0,web:2,instbank:1,miscellan:2,mix:0,except:[],param:[],instrument:[1,3],add:[1,2],valid:2,onhelpabout:2,primit:2,hklfdata:1,save:[0,1,2],modul:[0,1,2,3,4],match:[1,2],build:0,applic:1,format:[1,2],read:[1,2],origin:0,longformatnam:2,grid:2,background:[3,2],press:2,associ:[1,3],detector:2,saniti:2,getedfdata:2,updatecontrol:2,onhelpbyid:2,sizer:2,specif:1,filenam:[1,2],sfloat:2,integ:3,either:[0,1],gsasiiimggui:[4,3],view:1,output:[0,2],resiz:1,imagefil:2,page:[3,2],onfilesav:1,parentfram:2,constr1:0,importphas:[1,2],linux:2,some:[0,3,2],back:[],self:[1,2],intern:0,wxpython:4,sampl:[1,3],updateddata:3,respect:2,intend:2,multipleselect:2,computedepesd:0,imageonli:2,elementgui:[],implement:[0,2],confirm:2,powderdata:2,instfil:1,though:[],definit:0,lastdatafil:1,updatepwhkplot:2,onimportgener:1,esd:[0,2],unit:[0,3],gettifdata:2,three:0,refer:[1,2],plu:4,previou:3,run:0,independentvar:0,dtype:2,gsasiimain:1,saveintegr:2,onimportsfact:1,hst:0,parentid:2,invarraylist:0,getpowderpeak:2,"throw":[],panel:2,filepoint:2,about:2,obj:1,constraint:[0,1,3,4],column:2,freedom:0,degre:0,intens:2,dialog:[1,2],updatenotebook:2,produc:2,block:2,postfilldatamenu:2,routin:[0,1,2,3,4],effici:0,setnewphas:2,"_init_import":1,regist:2,xyz:2,"float":[0,2],bound:1,automat:1,dataset:1,nkeep:0,empti:[0,1,2],rd_list:1,updateinstrumentgrid:3,old:1,onpatterntreeitemdelet:1,groupconstraint:0,onimagesum:1,updatepeakgrid:3,constr2:0,wai:2,support:2,bodi:3,overwrit:2,why:1,start:[1,2],appl:2,includ:2,fraction:2,laboratori:[],"var":0,individu:2,"function":2,head:2,properli:2,unexpect:0,offer:2,tupl:0,updatepdfgrid:3,histogram:[1,3,2],formatnam:2,atom:2,renam:1,line:2,"true":[1,2],leastsq:2,refin:[0,1,2],possibl:0,"default":[1,3,2],best:[],access:2,displai:[1,3,2],gsasiiddatagui:[4,3],crystal:1,scipi:4,limit:[1,3,2],otherwis:2,problem:[0,2],updatebackground:3,constant:0,evalu:[],"int":[1,3,2],pseudo:2,updateconstraint:3,projfilesav:2,horizontallin:2,adsc:2,file:[1,2],updateunitcellsgrid:3,exist:[0,1,2],g2phase:2,check:[0,2],fill:[],factor:[1,2],gsasiipwdgui:[4,1,3],nx1:0,sglatt:2,collabel:2,titl:[1,3,2],sequenti:[0,1,2],when:[1,3,2],detail:0,nam:0,importpowderdata:[1,2],field:2,other:[0,3,2],bool:[1,2],copyright:[],varieti:2,tif:2,filedlgfixext:2,getgesumdata:2,draw:2,gsasiiphsgui:[4,3],g2frame:[3,2],my1:0,sequenc:2,scale:[0,1],peak:[1,3,2],reduc:0,collist:[],sglaue:2,directori:2,importbaseclass:2,mask:3,myhtmlpanel:2,ignor:[0,2],potenti:1,dict2map:0,robert:[],powderxyesav:2},objtypes:{"0":"py:module","1":"py:function","2":"py:method","3":"py:class","4":"py:attribute"},titles:["<em>GSASIImapvars: Parameter constraints</em>","<em>GSAS-II Main Module</em>","<em>GSAS-II GUI Routines</em>","<em>GSAS-II GUI Submodules</em>","GSAS-II Developer’s Documentation"],objnames:{"0":["py","module","Python module"],"1":["py","function","Python function"],"2":["py","method","Python method"],"3":["py","class","Python class"],"4":["py","attribute","Python attribute"]},filenames:["GSASIImapvars","GSASII","GSASIIGUIr","GSASIIGUI","index"]}) -
trunk/sphinxdocs/source/index.rst
r911 r921 10 10 GSASII.rst 11 11 GSASIImapvars.rst 12 GSASIIgrid.rst 13 GSASIIphsGUI.rst 14 GSASIIddataGUI.rst 12 GSASIIGUIr.rst 13 GSASIIGUI.rst 15 14 16 15
Note: See TracChangeset
for help on using the changeset viewer.
