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r1832 r1998 52 52 <span class="c">#GSASIIpwdGUI - powder data display routines</span> 53 53 <span class="c">########### SVN repository information ###################</span> 54 <span class="c"># $Date: 2015-0 5-01 18:38:23 -0500 (Fri, 01 May2015) $</span>55 <span class="c"># $Author: toby$</span>56 <span class="c"># $Revision: 1 831$</span>54 <span class="c"># $Date: 2015-08-31 13:53:11 -0500 (Mon, 31 Aug 2015) $</span> 55 <span class="c"># $Author: vondreele $</span> 56 <span class="c"># $Revision: 1969 $</span> 57 57 <span class="c"># $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/GSASIIpwdGUI.py $</span> 58 <span class="c"># $Id: GSASIIpwdGUI.py 1 831 2015-05-01 23:38:23Z toby$</span>58 <span class="c"># $Id: GSASIIpwdGUI.py 1969 2015-08-31 18:53:11Z vondreele $</span> 59 59 <span class="c">########### SVN repository information ###################</span> 60 60 <span class="sd">'''</span> … … 78 78 <span class="kn">import</span> <span class="nn">random</span> <span class="kn">as</span> <span class="nn">ran</span> 79 79 <span class="kn">import</span> <span class="nn">cPickle</span> 80 <span class="kn">import</span> <span class="nn">scipy.interpolate</span> <span class="kn">as</span> <span class="nn">si</span> 80 81 <span class="kn">import</span> <span class="nn">GSASIIpath</span> 81 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 1 831$"</span><span class="p">)</span>82 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 1969 $"</span><span class="p">)</span> 82 83 <span class="kn">import</span> <span class="nn">GSASIImath</span> <span class="kn">as</span> <span class="nn">G2mth</span> 83 84 <span class="kn">import</span> <span class="nn">GSASIIpwd</span> <span class="kn">as</span> <span class="nn">G2pwd</span> … … 167 168 <span class="n">parms</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="s">'Chi'</span><span class="p">,</span><span class="s">'Goniometer chi:'</span><span class="p">,[</span><span class="mi">10</span><span class="p">,</span><span class="mi">3</span><span class="p">]])</span> 168 169 <span class="n">parms</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="s">'Phi'</span><span class="p">,</span><span class="s">'Goniometer phi:'</span><span class="p">,[</span><span class="mi">10</span><span class="p">,</span><span class="mi">3</span><span class="p">]])</span> 169 <span class="n">parms</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="s">'Azimuth'</span><span class="p">,</span><span class="s">'Detector azimuth '</span><span class="p">,[</span><span class="mi">10</span><span class="p">,</span><span class="mi">3</span><span class="p">]])</span>170 <span class="n">parms</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="s">'Time'</span><span class="p">,</span><span class="s">'Clock time (s) '</span><span class="p">,[</span><span class="mi">12</span><span class="p">,</span><span class="mi">3</span><span class="p">]])</span>170 <span class="n">parms</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="s">'Azimuth'</span><span class="p">,</span><span class="s">'Detector azimuth:'</span><span class="p">,[</span><span class="mi">10</span><span class="p">,</span><span class="mi">3</span><span class="p">]])</span> 171 <span class="n">parms</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="s">'Time'</span><span class="p">,</span><span class="s">'Clock time (s):'</span><span class="p">,[</span><span class="mi">12</span><span class="p">,</span><span class="mi">3</span><span class="p">]])</span> 171 172 <span class="n">parms</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="s">'Temperature'</span><span class="p">,</span><span class="s">'Sample temperature (K): '</span><span class="p">,[</span><span class="mi">10</span><span class="p">,</span><span class="mi">3</span><span class="p">]])</span> 172 173 <span class="n">parms</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="s">'Pressure'</span><span class="p">,</span><span class="s">'Sample pressure (MPa): '</span><span class="p">,[</span><span class="mi">10</span><span class="p">,</span><span class="mi">3</span><span class="p">]])</span> … … 839 840 <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">SetItemPyData</span><span class="p">(</span> 840 841 <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">Id</span><span class="p">,</span><span class="s">'Background'</span><span class="p">),</span><span class="n">copy</span><span class="o">.</span><span class="n">copy</span><span class="p">(</span><span class="n">data</span><span class="p">))</span> 841 842 843 <span class="k">def</span> <span class="nf">OnBkgFit</span><span class="p">(</span><span class="n">event</span><span class="p">):</span> 844 <span class="k">def</span> <span class="nf">SetInstParms</span><span class="p">(</span><span class="n">Inst</span><span class="p">):</span> 845 <span class="n">dataType</span> <span class="o">=</span> <span class="n">Inst</span><span class="p">[</span><span class="s">'Type'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> 846 <span class="n">insVary</span> <span class="o">=</span> <span class="p">[]</span> 847 <span class="n">insNames</span> <span class="o">=</span> <span class="p">[]</span> 848 <span class="n">insVals</span> <span class="o">=</span> <span class="p">[]</span> 849 <span class="k">for</span> <span class="n">parm</span> <span class="ow">in</span> <span class="n">Inst</span><span class="p">:</span> 850 <span class="n">insNames</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">parm</span><span class="p">)</span> 851 <span class="n">insVals</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Inst</span><span class="p">[</span><span class="n">parm</span><span class="p">][</span><span class="mi">1</span><span class="p">])</span> 852 <span class="k">if</span> <span class="n">parm</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'U'</span><span class="p">,</span><span class="s">'V'</span><span class="p">,</span><span class="s">'W'</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">'SH/L'</span><span class="p">,</span><span class="s">'I(L2)/I(L1)'</span><span class="p">,</span><span class="s">'alpha'</span><span class="p">,</span> 853 <span class="s">'beta-0'</span><span class="p">,</span><span class="s">'beta-1'</span><span class="p">,</span><span class="s">'beta-q'</span><span class="p">,</span><span class="s">'sig-0'</span><span class="p">,</span><span class="s">'sig-1'</span><span class="p">,</span><span class="s">'sig-2'</span><span class="p">,</span><span class="s">'sig-q'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">Inst</span><span class="p">[</span><span class="n">parm</span><span class="p">][</span><span class="mi">2</span><span class="p">]:</span> 854 <span class="n">insVary</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">parm</span><span class="p">)</span> 855 <span class="n">instDict</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">insNames</span><span class="p">,</span><span class="n">insVals</span><span class="p">))</span> 856 <span class="n">instDict</span><span class="p">[</span><span class="s">'X'</span><span class="p">]</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">instDict</span><span class="p">[</span><span class="s">'X'</span><span class="p">],</span><span class="mf">0.01</span><span class="p">)</span> 857 <span class="n">instDict</span><span class="p">[</span><span class="s">'Y'</span><span class="p">]</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">instDict</span><span class="p">[</span><span class="s">'Y'</span><span class="p">],</span><span class="mf">0.01</span><span class="p">)</span> 858 <span class="k">if</span> <span class="s">'SH/L'</span> <span class="ow">in</span> <span class="n">instDict</span><span class="p">:</span> 859 <span class="n">instDict</span><span class="p">[</span><span class="s">'SH/L'</span><span class="p">]</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">instDict</span><span class="p">[</span><span class="s">'SH/L'</span><span class="p">],</span><span class="mf">0.002</span><span class="p">)</span> 860 <span class="k">return</span> <span class="n">dataType</span><span class="p">,</span><span class="n">instDict</span><span class="p">,</span><span class="n">insVary</span> 861 862 <span class="n">PatternId</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternId</span> 863 <span class="n">controls</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><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">'Controls'</span><span class="p">))</span> 864 <span class="n">background</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><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">PatternId</span><span class="p">,</span> <span class="s">'Background'</span><span class="p">))</span> 865 <span class="n">limits</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><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">PatternId</span><span class="p">,</span> <span class="s">'Limits'</span><span class="p">))[</span><span class="mi">1</span><span class="p">]</span> 866 <span class="n">inst</span><span class="p">,</span><span class="n">inst2</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><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">PatternId</span><span class="p">,</span> <span class="s">'Instrument Parameters'</span><span class="p">))</span> 867 <span class="c"># sort the points for convenience and then separate them; extend the range if needed</span> 868 <span class="n">background</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="s">'FixedPoints'</span><span class="p">]</span> <span class="o">=</span> <span class="nb">sorted</span><span class="p">(</span><span class="n">background</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="s">'FixedPoints'</span><span class="p">],</span><span class="n">key</span><span class="o">=</span><span class="k">lambda</span> <span class="n">pair</span><span class="p">:</span><span class="n">pair</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span> 869 <span class="n">X</span> <span class="o">=</span> <span class="p">[</span><span class="n">x</span> <span class="k">for</span> <span class="n">x</span><span class="p">,</span><span class="n">y</span> <span class="ow">in</span> <span class="n">background</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="s">'FixedPoints'</span><span class="p">]]</span> 870 <span class="n">Y</span> <span class="o">=</span> <span class="p">[</span><span class="n">y</span> <span class="k">for</span> <span class="n">x</span><span class="p">,</span><span class="n">y</span> <span class="ow">in</span> <span class="n">background</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="s">'FixedPoints'</span><span class="p">]]</span> 871 <span class="k">if</span> <span class="n">X</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">></span> <span class="n">limits</span><span class="p">[</span><span class="mi">0</span><span class="p">]:</span> 872 <span class="n">X</span> <span class="o">=</span> <span class="p">[</span><span class="n">limits</span><span class="p">[</span><span class="mi">0</span><span class="p">]]</span> <span class="o">+</span> <span class="n">X</span> 873 <span class="n">Y</span> <span class="o">=</span> <span class="p">[</span><span class="n">Y</span><span class="p">[</span><span class="mi">0</span><span class="p">]]</span> <span class="o">+</span> <span class="n">Y</span> 874 <span class="k">if</span> <span class="n">X</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o"><</span> <span class="n">limits</span><span class="p">[</span><span class="mi">1</span><span class="p">]:</span> 875 <span class="n">X</span> <span class="o">+=</span> <span class="p">[</span><span class="n">limits</span><span class="p">[</span><span class="mi">1</span><span class="p">]]</span> 876 <span class="n">Y</span> <span class="o">+=</span> <span class="p">[</span><span class="n">Y</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]]</span> 877 <span class="c"># interpolate the fixed points onto the grid of data points within limits</span> 878 <span class="n">pwddata</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><span class="n">PatternId</span><span class="p">)[</span><span class="mi">1</span><span class="p">]</span> 879 <span class="n">xBeg</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">searchsorted</span><span class="p">(</span><span class="n">pwddata</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">limits</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span> 880 <span class="n">xFin</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">searchsorted</span><span class="p">(</span><span class="n">pwddata</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">limits</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span> 881 <span class="n">xdata</span> <span class="o">=</span> <span class="n">pwddata</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="n">xBeg</span><span class="p">:</span><span class="n">xFin</span><span class="p">]</span> 882 <span class="n">ydata</span> <span class="o">=</span> <span class="n">si</span><span class="o">.</span><span class="n">interp1d</span><span class="p">(</span><span class="n">X</span><span class="p">,</span><span class="n">Y</span><span class="p">)(</span><span class="n">xdata</span><span class="p">)</span> 883 <span class="c">#GSASIIpath.IPyBreak()</span> 884 <span class="n">W</span> <span class="o">=</span> <span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">*</span><span class="nb">len</span><span class="p">(</span><span class="n">xdata</span><span class="p">)</span> 885 <span class="n">Z</span> <span class="o">=</span> <span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">*</span><span class="nb">len</span><span class="p">(</span><span class="n">xdata</span><span class="p">)</span> 886 887 <span class="c"># load instrument and background params</span> 888 <span class="n">dataType</span><span class="p">,</span><span class="n">insDict</span><span class="p">,</span><span class="n">insVary</span> <span class="o">=</span> <span class="n">SetInstParms</span><span class="p">(</span><span class="n">inst</span><span class="p">)</span> 889 <span class="n">bakType</span><span class="p">,</span><span class="n">bakDict</span><span class="p">,</span><span class="n">bakVary</span> <span class="o">=</span> <span class="n">G2pwd</span><span class="o">.</span><span class="n">SetBackgroundParms</span><span class="p">(</span><span class="n">background</span><span class="p">)</span> 890 <span class="c"># how many background parameters are refined?</span> 891 <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">bakVary</span><span class="p">)</span><span class="o">*</span><span class="mf">1.5</span> <span class="o">></span> <span class="nb">len</span><span class="p">(</span><span class="n">X</span><span class="p">):</span> 892 <span class="n">msg</span> <span class="o">=</span> <span class="p">(</span><span class="s">"You are attempting to vary "</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">bakVary</span><span class="p">))</span><span class="o">+</span> 893 <span class="s">" background terms with only "</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">X</span><span class="p">))</span><span class="o">+</span><span class="s">" background points"</span><span class="o">+</span> 894 <span class="s">"</span><span class="se">\n</span><span class="s">Add more points or reduce the number of terms"</span><span class="p">)</span> 895 <span class="k">print</span> <span class="n">msg</span> 896 <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">'Too few points'</span><span class="p">,</span><span class="n">msg</span><span class="p">)</span> 897 <span class="k">return</span> 898 899 <span class="n">wx</span><span class="o">.</span><span class="n">BeginBusyCursor</span><span class="p">()</span> 900 <span class="k">try</span><span class="p">:</span> 901 <span class="n">G2pwd</span><span class="o">.</span><span class="n">DoPeakFit</span><span class="p">(</span><span class="s">'LSQ'</span><span class="p">,[],</span><span class="n">background</span><span class="p">,</span><span class="n">limits</span><span class="p">,</span><span class="n">inst</span><span class="p">,</span><span class="n">inst2</span><span class="p">,</span> 902 <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">((</span><span class="n">xdata</span><span class="p">,</span><span class="n">ydata</span><span class="p">,</span><span class="n">W</span><span class="p">,</span><span class="n">Z</span><span class="p">,</span><span class="n">Z</span><span class="p">,</span><span class="n">Z</span><span class="p">)),</span><span class="n">bakVary</span><span class="p">,</span><span class="bp">False</span><span class="p">,</span><span class="n">controls</span><span class="p">)</span> 903 <span class="k">finally</span><span class="p">:</span> 904 <span class="n">wx</span><span class="o">.</span><span class="n">EndBusyCursor</span><span class="p">()</span> 905 <span class="c"># compute the background values and plot them</span> 906 <span class="n">parmDict</span> <span class="o">=</span> <span class="p">{}</span> 907 <span class="n">bakType</span><span class="p">,</span><span class="n">bakDict</span><span class="p">,</span><span class="n">bakVary</span> <span class="o">=</span> <span class="n">G2pwd</span><span class="o">.</span><span class="n">SetBackgroundParms</span><span class="p">(</span><span class="n">background</span><span class="p">)</span> 908 <span class="n">parmDict</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">bakDict</span><span class="p">)</span> 909 <span class="n">parmDict</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">insDict</span><span class="p">)</span> 910 <span class="n">pwddata</span><span class="p">[</span><span class="mi">3</span><span class="p">]</span> <span class="o">*=</span> <span class="mi">0</span> 911 <span class="n">pwddata</span><span class="p">[</span><span class="mi">5</span><span class="p">]</span> <span class="o">*=</span> <span class="mi">0</span> 912 <span class="n">pwddata</span><span class="p">[</span><span class="mi">4</span><span class="p">][</span><span class="n">xBeg</span><span class="p">:</span><span class="n">xFin</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2pwd</span><span class="o">.</span><span class="n">getBackground</span><span class="p">(</span> 913 <span class="s">''</span><span class="p">,</span><span class="n">parmDict</span><span class="p">,</span><span class="n">bakType</span><span class="p">,</span><span class="n">dataType</span><span class="p">,</span><span class="n">xdata</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span> 914 <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotPatterns</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">plotType</span><span class="o">=</span><span class="s">'PWDR'</span><span class="p">)</span> 915 <span class="c"># show the updated background values</span> 916 <span class="n">wx</span><span class="o">.</span><span class="n">CallLater</span><span class="p">(</span><span class="mi">100</span><span class="p">,</span><span class="n">UpdateBackground</span><span class="p">,</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">)</span> 917 918 <span class="k">def</span> <span class="nf">OnBkgClear</span><span class="p">(</span><span class="n">event</span><span class="p">):</span> 919 <span class="k">if</span> <span class="s">'FixedPoints'</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">data</span><span class="p">[</span><span class="mi">1</span><span class="p">]:</span> 920 <span class="k">return</span> 921 <span class="k">else</span><span class="p">:</span> 922 <span class="k">del</span> <span class="n">data</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="s">'FixedPoints'</span><span class="p">]</span> 923 <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotPatterns</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">plotType</span><span class="o">=</span><span class="s">'PWDR'</span><span class="p">)</span> 924 842 925 <span class="k">def</span> <span class="nf">OnPeaksMove</span><span class="p">(</span><span class="n">event</span><span class="p">):</span> 843 926 <span class="k">if</span> <span class="ow">not</span> <span class="n">data</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="s">'nPeaks'</span><span class="p">]:</span> … … 904 987 <span class="n">bakSizer</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">0</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">5</span><span class="p">)</span> 905 988 <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">value</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">data</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">:]):</span> 906 <span class="n">bakVal</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">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ID_ANY</span><span class="p">,</span><span class="s">'</span><span class="si">%10.4 f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">value</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>989 <span class="n">bakVal</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">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">ID_ANY</span><span class="p">,</span><span class="s">'</span><span class="si">%10.4g</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">value</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> 907 990 <span class="n">bakSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">bakVal</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span> 908 991 <span class="n">ValObj</span><span class="p">[</span><span class="n">bakVal</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="p">[</span><span class="n">i</span><span class="o">+</span><span class="mi">3</span><span class="p">]</span> … … 1042 1125 <span class="n">G2frame</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_MENU</span><span class="p">,</span><span class="n">OnBackFlagCopy</span><span class="p">,</span><span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_BACKFLAGCOPY</span><span class="p">)</span> 1043 1126 <span class="n">G2frame</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_MENU</span><span class="p">,</span><span class="n">OnPeaksMove</span><span class="p">,</span><span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_PEAKSMOVE</span><span class="p">)</span> 1127 <span class="n">G2frame</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_MENU</span><span class="p">,</span><span class="n">OnBkgFit</span><span class="p">,</span><span class="nb">id</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">wxID_BackPts</span><span class="p">[</span><span class="s">'Fit'</span><span class="p">])</span> 1128 <span class="n">G2frame</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_MENU</span><span class="p">,</span><span class="n">OnBkgClear</span><span class="p">,</span><span class="nb">id</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">wxID_BackPts</span><span class="p">[</span><span class="s">'Clear'</span><span class="p">])</span> 1044 1129 <span class="n">BackId</span> <span class="o">=</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">PatternId</span><span class="p">,</span> <span class="s">'Background'</span><span class="p">)</span> 1045 <span class="n">Choices</span> <span class="o">=</span> <span class="p">[</span><span class="s">'chebyschev'</span><span class="p">,</span><span class="s">'cosine'</span><span class="p">,</span><span class="s">'Q^2 power series'</span><span class="p">,</span><span class="s">'Q^-2 pow der series'</span><span class="p">,</span><span class="s">'lin interpolate'</span><span class="p">,</span><span class="s">'inv interpolate'</span><span class="p">,</span><span class="s">'log interpolate'</span><span class="p">]</span>1130 <span class="n">Choices</span> <span class="o">=</span> <span class="p">[</span><span class="s">'chebyschev'</span><span class="p">,</span><span class="s">'cosine'</span><span class="p">,</span><span class="s">'Q^2 power series'</span><span class="p">,</span><span class="s">'Q^-2 power series'</span><span class="p">,</span><span class="s">'lin interpolate'</span><span class="p">,</span><span class="s">'inv interpolate'</span><span class="p">,</span><span class="s">'log interpolate'</span><span class="p">]</span> 1046 1131 <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> 1047 1132 <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">BackSizer</span><span class="p">())</span> … … 1156 1241 <span class="k">return</span> <span class="n">good</span> 1157 1242 1158 <span class="k">def</span> <span class="nf">inst2data</span><span class="p">(</span><span class="n">inst</span><span class="p">,</span><span class="n">ref</span><span class="p">,</span><span class="n">data</span><span class="p">):</span> 1243 <span class="k">def</span> <span class="nf">updateData</span><span class="p">(</span><span class="n">inst</span><span class="p">,</span><span class="n">ref</span><span class="p">):</span> 1244 <span class="n">data</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><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> 1245 <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternId</span><span class="p">,</span><span class="s">'Instrument Parameters'</span><span class="p">))[</span><span class="mi">0</span><span class="p">]</span> 1159 1246 <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">data</span><span class="p">:</span> 1160 1247 <span class="k">try</span><span class="p">:</span> 1161 1248 <span class="n">data</span><span class="p">[</span><span class="n">item</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">data</span><span class="p">[</span><span class="n">item</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span><span class="n">inst</span><span class="p">[</span><span class="n">item</span><span class="p">],</span><span class="n">ref</span><span class="p">[</span><span class="n">item</span><span class="p">]]</span> 1162 1249 <span class="k">except</span> <span class="ne">KeyError</span><span class="p">:</span> 1163 <span class="k">pass</span> <span class="c">#skip 'Polariz.' for N-data</span> 1164 <span class="k">return</span> <span class="n">data</span> 1165 1166 <span class="k">def</span> <span class="nf">updateData</span><span class="p">(</span><span class="n">inst</span><span class="p">,</span><span class="n">ref</span><span class="p">):</span> 1167 <span class="k">return</span> <span class="n">inst2data</span><span class="p">(</span><span class="n">inst</span><span class="p">,</span><span class="n">ref</span><span class="p">,</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><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> 1168 <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternId</span><span class="p">,</span><span class="s">'Instrument Parameters'</span><span class="p">))[</span><span class="mi">0</span><span class="p">])</span> 1250 <span class="k">try</span><span class="p">:</span> 1251 <span class="n">data</span><span class="p">[</span><span class="n">item</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">data</span><span class="p">[</span><span class="n">item</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span><span class="n">inst</span><span class="p">[</span><span class="n">item</span><span class="p">]]</span> 1252 <span class="k">except</span> <span class="ne">KeyError</span><span class="p">:</span> 1253 <span class="k">pass</span> <span class="c">#skip 'Polariz.' for N-data</span> 1169 1254 1170 1255 <span class="k">def</span> <span class="nf">RefreshInstrumentGrid</span><span class="p">(</span><span class="n">event</span><span class="p">,</span><span class="n">doAnyway</span><span class="o">=</span><span class="bp">False</span><span class="p">):</span> … … 1185 1270 <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">'Can not calibrate'</span><span class="p">,</span><span class="s">'Index Peak List empty'</span><span class="p">)</span> 1186 1271 <span class="k">return</span> 1272 <span class="k">if</span> <span class="ow">not</span> <span class="n">np</span><span class="o">.</span><span class="n">any</span><span class="p">(</span><span class="n">IndexPeaks</span><span class="p">[</span><span class="mi">1</span><span class="p">]):</span> 1273 <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">'Can not calibrate'</span><span class="p">,</span><span class="s">'Peak positions not refined'</span><span class="p">)</span> 1274 <span class="k">return</span> <span class="bp">False</span> 1187 1275 <span class="n">Ok</span> <span class="o">=</span> <span class="bp">False</span> 1188 1276 <span class="k">for</span> <span class="n">peak</span> <span class="ow">in</span> <span class="n">IndexPeaks</span><span class="p">[</span><span class="mi">0</span><span class="p">]:</span> … … 1206 1294 <span class="k">else</span><span class="p">:</span> 1207 1295 <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">'Can not calibrate'</span><span class="p">,</span><span class="s">'Nothing selected for refinement'</span><span class="p">)</span> 1208 1209 1296 1210 1297 <span class="k">def</span> <span class="nf">OnLoad</span><span class="p">(</span><span class="n">event</span><span class="p">):</span> … … 1277 1364 <span class="k">return</span> 1278 1365 <span class="n">keys</span> <span class="o">=</span> <span class="n">data</span><span class="o">.</span><span class="n">keys</span><span class="p">()</span> 1366 <span class="k">try</span><span class="p">:</span> 1367 <span class="n">keys</span><span class="o">.</span><span class="n">remove</span><span class="p">(</span><span class="s">'Source'</span><span class="p">)</span> 1368 <span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span> 1369 <span class="k">pass</span> 1279 1370 <span class="n">flags</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">keys</span><span class="p">,[</span><span class="n">data</span><span class="p">[</span><span class="n">key</span><span class="p">][</span><span class="mi">2</span><span class="p">]</span> <span class="k">for</span> <span class="n">key</span> <span class="ow">in</span> <span class="n">keys</span><span class="p">]))</span> 1280 1371 <span class="n">instType</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">'Type'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> … … 1295 1386 <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">data</span><span class="p">)</span> <span class="o">==</span> <span class="nb">len</span><span class="p">(</span><span class="n">instData</span><span class="p">)</span> <span class="ow">and</span> <span class="n">instType</span> <span class="o">==</span> <span class="n">instData</span><span class="p">[</span><span class="s">'Type'</span><span class="p">][</span><span class="mi">0</span><span class="p">]:</span> <span class="c">#don't mix data types or lam & lam1/lam2 parms!</span> 1296 1387 <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">instData</span><span class="p">:</span> 1297 <span class="n">instData</span><span class="p">[</span><span class="n">item</span><span class="p">][</span><span class="mi">2</span><span class="p">]</span> <span class="o">=</span> <span class="n">copy</span><span class="o">.</span><span class="n">copy</span><span class="p">(</span><span class="n">flags</span><span class="p">[</span><span class="n">item</span><span class="p">])</span> 1388 <span class="k">if</span> <span class="n">item</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'Source'</span><span class="p">,]:</span> 1389 <span class="n">instData</span><span class="p">[</span><span class="n">item</span><span class="p">][</span><span class="mi">2</span><span class="p">]</span> <span class="o">=</span> <span class="n">copy</span><span class="o">.</span><span class="n">copy</span><span class="p">(</span><span class="n">flags</span><span class="p">[</span><span class="n">item</span><span class="p">])</span> 1298 1390 <span class="k">else</span><span class="p">:</span> 1299 1391 <span class="k">print</span> <span class="n">item</span><span class="o">+</span><span class="s">' not copied - instrument parameters not commensurate'</span> … … 1361 1453 <span class="k">def</span> <span class="nf">OnLamPick</span><span class="p">(</span><span class="n">event</span><span class="p">):</span> 1362 1454 <span class="n">data</span><span class="p">[</span><span class="s">'Source'</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="n">lamType</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">GetEventObject</span><span class="p">()</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span> 1363 <span class="n">insVal</span><span class="p">[</span><span class="s">'Lam1'</span><span class="p">]</span> <span class="o">=</span> <span class="n">waves</span><span class="p">[</span><span class="n">lamType</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> 1364 <span class="n">insVal</span><span class="p">[</span><span class="s">'Lam2'</span><span class="p">]</span> <span class="o">=</span> <span class="n">waves</span><span class="p">[</span><span class="n">lamType</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> 1455 <span class="k">if</span> <span class="s">'P'</span> <span class="ow">in</span> <span class="n">insVal</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]:</span> 1456 <span class="n">insVal</span><span class="p">[</span><span class="s">'Lam1'</span><span class="p">]</span> <span class="o">=</span> <span class="n">waves</span><span class="p">[</span><span class="n">lamType</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> 1457 <span class="n">insVal</span><span class="p">[</span><span class="s">'Lam2'</span><span class="p">]</span> <span class="o">=</span> <span class="n">waves</span><span class="p">[</span><span class="n">lamType</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> 1458 <span class="k">elif</span> <span class="s">'S'</span> <span class="ow">in</span> <span class="n">insVal</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]</span> <span class="ow">and</span> <span class="s">'synch'</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">lamType</span><span class="p">:</span> 1459 <span class="n">insVal</span><span class="p">[</span><span class="s">'Lam'</span><span class="p">]</span> <span class="o">=</span> <span class="n">meanwaves</span><span class="p">[</span><span class="n">lamType</span><span class="p">]</span> 1365 1460 <span class="n">updateData</span><span class="p">(</span><span class="n">insVal</span><span class="p">,</span><span class="n">insRef</span><span class="p">)</span> 1366 1461 <span class="n">i</span><span class="p">,</span><span class="n">j</span><span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">__version__</span><span class="o">.</span><span class="n">split</span><span class="p">(</span><span class="s">'.'</span><span class="p">)[</span><span class="mi">0</span><span class="p">:</span><span class="mi">2</span><span class="p">]</span> … … 1570 1665 <span class="n">instSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">waveVal</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span> 1571 1666 <span class="n">labelLst</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="s">u'Lam (</span><span class="se">\xc5</span><span class="s">)'</span><span class="p">)</span> 1667 <span class="n">waveSizer</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> 1668 <span class="n">waveSizer</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">G2frame</span><span class="o">.</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">' Source type: '</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span> 1669 <span class="c"># PATCH?: for now at least, Source is not saved anywhere before here</span> 1670 <span class="k">if</span> <span class="s">'Source'</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">data</span><span class="p">:</span> <span class="n">data</span><span class="p">[</span><span class="s">'Source'</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">'CuKa'</span><span class="p">,</span><span class="s">'?'</span><span class="p">]</span> 1671 <span class="n">choice</span> <span class="o">=</span> <span class="p">[</span><span class="s">'synchrotron'</span><span class="p">,</span><span class="s">'TiKa'</span><span class="p">,</span><span class="s">'CrKa'</span><span class="p">,</span><span class="s">'FeKa'</span><span class="p">,</span><span class="s">'CoKa'</span><span class="p">,</span><span class="s">'CuKa'</span><span class="p">,</span><span class="s">'MoKa'</span><span class="p">,</span><span class="s">'AgKa'</span><span class="p">]</span> 1672 <span class="n">lamPick</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">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">data</span><span class="p">[</span><span class="s">'Source'</span><span class="p">][</span><span class="mi">1</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">choice</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">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> 1673 <span class="n">lamPick</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">OnLamPick</span><span class="p">)</span> 1674 <span class="n">waveSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">lamPick</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span> 1675 <span class="n">instSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">waveSizer</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span> 1572 1676 <span class="n">elemKeysLst</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="s">'Lam'</span><span class="p">,</span><span class="mi">1</span><span class="p">])</span> 1573 1677 <span class="n">dspLst</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="mi">10</span><span class="p">,</span><span class="mi">6</span><span class="p">])</span> … … 1632 1736 <span class="s">'FeKa'</span><span class="p">:[</span><span class="mf">1.93597</span><span class="p">,</span><span class="mf">1.93991</span><span class="p">],</span><span class="s">'CoKa'</span><span class="p">:[</span><span class="mf">1.78892</span><span class="p">,</span><span class="mf">1.79278</span><span class="p">],</span><span class="s">'MoKa'</span><span class="p">:[</span><span class="mf">0.70926</span><span class="p">,</span><span class="mf">0.713543</span><span class="p">],</span> 1633 1737 <span class="s">'AgKa'</span><span class="p">:[</span><span class="mf">0.559363</span><span class="p">,</span><span class="mf">0.563775</span><span class="p">]}</span> 1738 <span class="n">meanwaves</span> <span class="o">=</span> <span class="p">{</span><span class="s">'CuKa'</span><span class="p">:</span><span class="mf">1.5418</span><span class="p">,</span><span class="s">'TiKa'</span><span class="p">:</span><span class="mf">2.7496</span><span class="p">,</span><span class="s">'CrKa'</span><span class="p">:</span><span class="mf">2.2909</span><span class="p">,</span><span class="s">'FeKa'</span><span class="p">:</span><span class="mf">1.9373</span><span class="p">,</span> 1739 <span class="s">'CoKa'</span><span class="p">:</span><span class="mf">1.7902</span><span class="p">,</span><span class="s">'MoKa'</span><span class="p">:</span><span class="mf">0.7107</span><span class="p">,</span><span class="s">'AgKa'</span><span class="p">:</span><span class="mf">0.5608</span><span class="p">}</span> 1634 1740 <span class="n">Inst2</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><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> 1635 1741 <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternId</span><span class="p">,</span><span class="s">'Instrument Parameters'</span><span class="p">))[</span><span class="mi">1</span><span class="p">]</span> … … 1657 1763 <span class="k">if</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">GetStatusBar</span><span class="p">():</span> 1658 1764 <span class="n">Status</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">CreateStatusBar</span><span class="p">()</span> 1765 <span class="n">Status</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">'NB: Azimuth is used for polarization only'</span><span class="p">)</span> 1659 1766 <span class="n">G2frame</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_MENU</span><span class="p">,</span><span class="n">OnCalibrate</span><span class="p">,</span><span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_INSTCALIB</span><span class="p">)</span> 1660 1767 <span class="n">G2frame</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_MENU</span><span class="p">,</span><span class="n">OnLoad</span><span class="p">,</span><span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_INSTLOAD</span><span class="p">)</span> … … 1668 1775 <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><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">InstMenu</span><span class="p">)</span> 1669 1776 <span class="k">if</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">GetStatusBar</span><span class="p">():</span> 1670 <span class="n">Status</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">CreateStatusBar</span><span class="p">()</span> 1777 <span class="n">Status</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">CreateStatusBar</span><span class="p">()</span> 1671 1778 <span class="n">G2frame</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_MENU</span><span class="p">,</span><span class="n">OnInstCopy</span><span class="p">,</span><span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_INSTCOPY</span><span class="p">)</span> 1672 1779 <span class="n">MakeParameterWindow</span><span class="p">()</span> … … 1940 2047 <span class="sd">'''Called when the histogram type is changed to refresh the window</span> 1941 2048 <span class="sd"> '''</span> 1942 <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">UpdateSampleGrid</span><span class="p">,</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">)</span> 2049 <span class="c">#wx.CallAfter(UpdateSampleGrid,G2frame,data)</span> 2050 <span class="n">wx</span><span class="o">.</span><span class="n">CallLater</span><span class="p">(</span><span class="mi">100</span><span class="p">,</span><span class="n">UpdateSampleGrid</span><span class="p">,</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">)</span> 1943 2051 1944 2052 <span class="k">def</span> <span class="nf">SetNameVal</span><span class="p">():</span> … … 2245 2353 <span class="n">maxH</span> <span class="o">=</span> <span class="n">ssopt</span><span class="p">[</span><span class="s">'maxH'</span><span class="p">]</span> 2246 2354 <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span> <span class="o">=</span> <span class="n">G2pwd</span><span class="o">.</span><span class="n">getHKLMpeak</span><span class="p">(</span><span class="n">dmin</span><span class="p">,</span><span class="n">Inst</span><span class="p">,</span><span class="n">SGData</span><span class="p">,</span><span class="n">SSGData</span><span class="p">,</span><span class="n">Vec</span><span class="p">,</span><span class="n">maxH</span><span class="p">,</span><span class="n">A</span><span class="p">)</span> 2355 <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">)</span> 2247 2356 <span class="n">data</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2indx</span><span class="o">.</span><span class="n">IndexSSPeaks</span><span class="p">(</span><span class="n">data</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">)[</span><span class="mi">1</span><span class="p">]</span> 2248 2357 <span class="k">else</span><span class="p">:</span> <span class="c">#select cell from table - no SS</span> … … 2254 2363 <span class="k">for</span> <span class="n">hkl</span> <span class="ow">in</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">:</span> 2255 2364 <span class="n">hkl</span><span class="o">.</span><span class="n">insert</span><span class="p">(</span><span class="mi">4</span><span class="p">,</span><span class="n">G2lat</span><span class="o">.</span><span class="n">Dsp2pos</span><span class="p">(</span><span class="n">Inst</span><span class="p">,</span><span class="n">hkl</span><span class="p">[</span><span class="mi">3</span><span class="p">]))</span> 2365 <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">)</span> 2256 2366 <span class="n">data</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2indx</span><span class="o">.</span><span class="n">IndexPeaks</span><span class="p">(</span><span class="n">data</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">)[</span><span class="mi">1</span><span class="p">]</span> 2257 2367 <span class="k">break</span> … … 2483 2593 <span class="n">OnHklShow</span><span class="p">(</span><span class="n">event</span><span class="p">)</span> 2484 2594 2595 <span class="k">def</span> <span class="nf">OnExportCells</span><span class="p">(</span><span class="n">event</span><span class="p">):</span> 2596 <span class="n">dlg</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">FileDialog</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span> <span class="s">'Choose Indexing Result csv file'</span><span class="p">,</span> <span class="s">'.'</span><span class="p">,</span> <span class="s">''</span><span class="p">,</span> 2597 <span class="s">'indexing result file (*.csv)|*.csv'</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">FD_SAVE</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">FD_OVERWRITE_PROMPT</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CHANGE_DIR</span><span class="p">)</span> 2598 <span class="k">try</span><span class="p">:</span> 2599 <span class="k">if</span> <span class="n">dlg</span><span class="o">.</span><span class="n">ShowModal</span><span class="p">()</span> <span class="o">==</span> <span class="n">wx</span><span class="o">.</span><span class="n">ID_OK</span><span class="p">:</span> 2600 <span class="n">filename</span> <span class="o">=</span> <span class="n">dlg</span><span class="o">.</span><span class="n">GetPath</span><span class="p">()</span> 2601 <span class="n">filename</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">splitext</span><span class="p">(</span><span class="n">filename</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span><span class="o">+</span><span class="s">'.csv'</span> 2602 <span class="n">File</span> <span class="o">=</span> <span class="nb">open</span><span class="p">(</span><span class="n">filename</span><span class="p">,</span><span class="s">'w'</span><span class="p">)</span> 2603 <span class="n">names</span> <span class="o">=</span> <span class="s">'M20,X20,Bravais,a,b,c,alpha,beta,gamma,volume</span><span class="se">\n</span><span class="s">'</span> 2604 <span class="n">File</span><span class="o">.</span><span class="n">write</span><span class="p">(</span><span class="n">names</span><span class="p">)</span> 2605 <span class="n">fmt</span> <span class="o">=</span> <span class="s">'</span><span class="si">%.2f</span><span class="s">,</span><span class="si">%d</span><span class="s">,</span><span class="si">%s</span><span class="s">,</span><span class="si">%.4f</span><span class="s">,</span><span class="si">%.4f</span><span class="s">,</span><span class="si">%.4f</span><span class="s">,</span><span class="si">%.2f</span><span class="s">,</span><span class="si">%.2f</span><span class="s">,</span><span class="si">%.2f</span><span class="s">,</span><span class="si">%.3f</span><span class="se">\n</span><span class="s">'</span> 2606 <span class="k">for</span> <span class="n">cell</span> <span class="ow">in</span> <span class="n">cells</span><span class="p">:</span> 2607 <span class="n">File</span><span class="o">.</span><span class="n">write</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">0</span><span class="p">],</span><span class="n">cell</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">bravaisSymb</span><span class="p">[</span><span class="n">cell</span><span class="p">[</span><span class="mi">2</span><span class="p">]],</span> <span class="n">cell</span><span class="p">[</span><span class="mi">3</span><span class="p">],</span><span class="n">cell</span><span class="p">[</span><span class="mi">4</span><span class="p">],</span><span class="n">cell</span><span class="p">[</span><span class="mi">5</span><span class="p">],</span> <span class="n">cell</span><span class="p">[</span><span class="mi">6</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">cell</span><span class="p">[</span><span class="mi">8</span><span class="p">],</span><span class="n">cell</span><span class="p">[</span><span class="mi">9</span><span class="p">]))</span> 2608 <span class="n">File</span><span class="o">.</span><span class="n">close</span><span class="p">()</span> 2609 <span class="k">finally</span><span class="p">:</span> 2610 <span class="n">dlg</span><span class="o">.</span><span class="n">Destroy</span><span class="p">()</span> 2611 2485 2612 <span class="k">def</span> <span class="nf">OnCellChange</span><span class="p">(</span><span class="n">event</span><span class="p">):</span> 2486 2613 <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> … … 2527 2654 <span class="n">M20</span> <span class="o">=</span> <span class="n">X20</span> <span class="o">=</span> <span class="mf">0.</span> 2528 2655 <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span> <span class="o">=</span> <span class="n">G2pwd</span><span class="o">.</span><span class="n">getHKLpeak</span><span class="p">(</span><span class="n">dmin</span><span class="p">,</span><span class="n">SGData</span><span class="p">,</span><span class="n">A</span><span class="p">,</span><span class="n">Inst</span><span class="p">)</span> 2656 <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">)</span> 2529 2657 <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">):</span> 2530 2658 <span class="k">print</span> <span class="s">' new M20,X20: </span><span class="si">%.2f</span><span class="s"> </span><span class="si">%d</span><span class="s"> fraction found: </span><span class="si">%.3f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">M20</span><span class="p">,</span><span class="n">X20</span><span class="p">,</span><span class="nb">float</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">peaks</span><span class="p">[</span><span class="mi">0</span><span class="p">]))</span><span class="o">/</span><span class="nb">len</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">))</span> … … 2614 2742 <span class="n">peaks</span> <span class="o">=</span> <span class="p">[</span><span class="n">G2indx</span><span class="o">.</span><span class="n">IndexPeaks</span><span class="p">(</span><span class="n">peaks</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">)[</span><span class="mi">1</span><span class="p">],</span><span class="n">peaks</span><span class="p">[</span><span class="mi">1</span><span class="p">]]</span> <span class="c">#put peak fit esds back in peaks</span> 2615 2743 <span class="n">Lhkl</span><span class="p">,</span><span class="n">M20</span><span class="p">,</span><span class="n">X20</span><span class="p">,</span><span class="n">Aref</span><span class="p">,</span><span class="n">Zero</span> <span class="o">=</span> <span class="n">G2indx</span><span class="o">.</span><span class="n">refinePeaksT</span><span class="p">(</span><span class="n">peaks</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">difC</span><span class="p">,</span><span class="n">ibrav</span><span class="p">,</span><span class="n">A</span><span class="p">,</span><span class="n">controls</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">controls</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span> 2744 <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">)</span> 2616 2745 <span class="n">controls</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="n">Zero</span> 2617 2746 <span class="n">controls</span><span class="p">[</span><span class="mi">6</span><span class="p">:</span><span class="mi">12</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">A2cell</span><span class="p">(</span><span class="n">Aref</span><span class="p">)</span> … … 2637 2766 <span class="k">for</span> <span class="n">hkl</span> <span class="ow">in</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">:</span> 2638 2767 <span class="n">hkl</span><span class="p">[</span><span class="n">ip</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">Dsp2pos</span><span class="p">(</span><span class="n">Inst</span><span class="p">,</span><span class="n">hkl</span><span class="p">[</span><span class="n">ip</span><span class="o">-</span><span class="mi">1</span><span class="p">])</span><span class="o">+</span><span class="n">controls</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> 2768 <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">)</span> 2639 2769 <span class="k">if</span> <span class="s">'PKS'</span> <span class="ow">in</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">PatternId</span><span class="p">):</span> 2640 2770 <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotPowderLines</span><span class="p">(</span><span class="n">G2frame</span><span class="p">)</span> … … 2684 2814 <span class="k">for</span> <span class="n">hkl</span> <span class="ow">in</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">:</span> 2685 2815 <span class="n">hkl</span><span class="o">.</span><span class="n">insert</span><span class="p">(</span><span class="mi">4</span><span class="p">,</span><span class="n">G2lat</span><span class="o">.</span><span class="n">Dsp2pos</span><span class="p">(</span><span class="n">Inst</span><span class="p">,</span><span class="n">hkl</span><span class="p">[</span><span class="mi">3</span><span class="p">])</span><span class="o">+</span><span class="n">controls</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span> 2816 <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">)</span> 2686 2817 <span class="k">if</span> <span class="s">'PKS'</span> <span class="ow">in</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">PatternId</span><span class="p">):</span> 2687 2818 <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotPowderLines</span><span class="p">(</span><span class="n">G2frame</span><span class="p">)</span> … … 2711 2842 <span class="k">for</span> <span class="n">hkl</span> <span class="ow">in</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">:</span> 2712 2843 <span class="n">hkl</span><span class="o">.</span><span class="n">insert</span><span class="p">(</span><span class="mi">4</span><span class="p">,</span><span class="n">G2lat</span><span class="o">.</span><span class="n">Dsp2pos</span><span class="p">(</span><span class="n">Inst</span><span class="p">,</span><span class="n">hkl</span><span class="p">[</span><span class="mi">3</span><span class="p">])</span><span class="o">+</span><span class="n">controls</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span> 2844 <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">)</span> 2713 2845 <span class="k">if</span> <span class="s">'PKS'</span> <span class="ow">in</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">PatternId</span><span class="p">):</span> 2714 2846 <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotPowderLines</span><span class="p">(</span><span class="n">G2frame</span><span class="p">)</span> … … 2758 2890 <span class="n">G2frame</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_MENU</span><span class="p">,</span> <span class="n">CopyUnitCell</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_COPYCELL</span><span class="p">)</span> 2759 2891 <span class="n">G2frame</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_MENU</span><span class="p">,</span> <span class="n">RefineCell</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_REFINECELL</span><span class="p">)</span> 2760 <span class="n">G2frame</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_MENU</span><span class="p">,</span> <span class="n">MakeNewPhase</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_MAKENEWPHASE</span><span class="p">)</span> 2892 <span class="n">G2frame</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_MENU</span><span class="p">,</span> <span class="n">MakeNewPhase</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_MAKENEWPHASE</span><span class="p">)</span> 2893 <span class="n">G2frame</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_MENU</span><span class="p">,</span> <span class="n">OnExportCells</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_EXPORTCELLS</span><span class="p">)</span> 2894 2761 2895 <span class="n">controls</span><span class="p">,</span><span class="n">bravais</span><span class="p">,</span><span class="n">cells</span><span class="p">,</span><span class="n">dmin</span><span class="p">,</span><span class="n">ssopt</span> <span class="o">=</span> <span class="n">data</span> 2762 2896 <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">controls</span><span class="p">)</span> <span class="o"><</span> <span class="mi">13</span><span class="p">:</span> <span class="c">#add cell volume if missing</span> … … 2788 2922 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">CopyCell</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="bp">False</span><span class="p">)</span> 2789 2923 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">MakeNewPhase</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="bp">False</span><span class="p">)</span> 2924 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">ExportCells</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="bp">False</span><span class="p">)</span> 2790 2925 <span class="k">if</span> <span class="n">cells</span><span class="p">:</span> 2791 2926 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">CopyCell</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="bp">True</span><span class="p">)</span> 2792 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">MakeNewPhase</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="bp">True</span><span class="p">)</span> 2927 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">MakeNewPhase</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="bp">True</span><span class="p">)</span> 2928 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">ExportCells</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="bp">True</span><span class="p">)</span> 2793 2929 <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> 2794 2930 <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">parent</span><span class="o">=</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">' Indexing controls: '</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span> … … 2955 3091 <span class="k">for</span> <span class="n">hkl</span> <span class="ow">in</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">:</span> 2956 3092 <span class="n">hkl</span><span class="o">.</span><span class="n">insert</span><span class="p">(</span><span class="mi">4</span><span class="p">,</span><span class="n">G2lat</span><span class="o">.</span><span class="n">Dsp2pos</span><span class="p">(</span><span class="n">Inst</span><span class="p">,</span><span class="n">hkl</span><span class="p">[</span><span class="mi">3</span><span class="p">])</span><span class="o">+</span><span class="n">controls</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span> 3093 <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">)</span> 2957 3094 <span class="n">table</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">row</span><span class="p">)</span> 2958 3095 <span class="n">UnitCellsTable</span> <span class="o">=</span> <span class="n">G2G</span><span class="o">.</span><span class="n">Table</span><span class="p">(</span><span class="n">table</span><span class="p">,</span><span class="n">rowLabels</span><span class="o">=</span><span class="n">rowLabels</span><span class="p">,</span><span class="n">colLabels</span><span class="o">=</span><span class="n">colLabels</span><span class="p">,</span><span class="n">types</span><span class="o">=</span><span class="n">Types</span><span class="p">)</span> … … 2993 3130 <span class="sd"> '''</span> 2994 3131 <span class="n">phaseName</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">RefList</span> 2995 <span class="n">pId</span> <span class="o">=</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">'Phases'</span><span class="p">)</span> 2996 <span class="n">phaseId</span> <span class="o">=</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">pId</span><span class="p">,</span><span class="n">phaseName</span><span class="p">)</span> 2997 <span class="n">General</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><span class="n">phaseId</span><span class="p">)[</span><span class="s">'General'</span><span class="p">]</span> 2998 <span class="n">Super</span> <span class="o">=</span> <span class="n">General</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">'Super'</span><span class="p">,</span><span class="mi">0</span><span class="p">)</span> 2999 <span class="n">SuperVec</span> <span class="o">=</span> <span class="n">General</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">'SuperVec'</span><span class="p">,[])</span> 3132 <span class="k">if</span> <span class="n">phaseName</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'Unknown'</span><span class="p">,]:</span> 3133 <span class="n">pId</span> <span class="o">=</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">'Phases'</span><span class="p">)</span> 3134 <span class="n">phaseId</span> <span class="o">=</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">pId</span><span class="p">,</span><span class="n">phaseName</span><span class="p">)</span> 3135 <span class="n">General</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><span class="n">phaseId</span><span class="p">)[</span><span class="s">'General'</span><span class="p">]</span> 3136 <span class="n">Super</span> <span class="o">=</span> <span class="n">General</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">'Super'</span><span class="p">,</span><span class="mi">0</span><span class="p">)</span> 3137 <span class="n">SuperVec</span> <span class="o">=</span> <span class="n">General</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">'SuperVec'</span><span class="p">,[])</span> 3138 <span class="k">else</span><span class="p">:</span> 3139 <span class="n">Super</span> <span class="o">=</span> <span class="mi">0</span> 3140 <span class="n">SuperVec</span> <span class="o">=</span> <span class="p">[]</span> 3000 3141 <span class="k">if</span> <span class="s">'list'</span> <span class="ow">in</span> <span class="nb">str</span><span class="p">(</span><span class="nb">type</span><span class="p">(</span><span class="n">data</span><span class="p">)):</span> <span class="c">#single crystal data is 2 dict in list</span> 3001 3142 <span class="n">refList</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="s">'RefList'</span><span class="p">]</span> … … 3013 3154 <span class="sd"> '''</span> 3014 3155 <span class="n">phaseName</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">RefList</span> 3015 <span class="n">pId</span> <span class="o">=</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">'Phases'</span><span class="p">)</span> 3016 <span class="n">phaseId</span> <span class="o">=</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">pId</span><span class="p">,</span><span class="n">phaseName</span><span class="p">)</span> 3017 <span class="n">General</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><span class="n">phaseId</span><span class="p">)[</span><span class="s">'General'</span><span class="p">]</span> 3018 <span class="n">Super</span> <span class="o">=</span> <span class="n">General</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">'Super'</span><span class="p">,</span><span class="mi">0</span><span class="p">)</span> 3019 <span class="n">SuperVec</span> <span class="o">=</span> <span class="n">General</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">'SuperVec'</span><span class="p">,[])</span> 3156 <span class="k">if</span> <span class="n">phaseName</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'Unknown'</span><span class="p">,]:</span> 3157 <span class="n">pId</span> <span class="o">=</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">'Phases'</span><span class="p">)</span> 3158 <span class="n">phaseId</span> <span class="o">=</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">pId</span><span class="p">,</span><span class="n">phaseName</span><span class="p">)</span> 3159 <span class="n">General</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><span class="n">phaseId</span><span class="p">)[</span><span class="s">'General'</span><span class="p">]</span> 3160 <span class="n">Super</span> <span class="o">=</span> <span class="n">General</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">'Super'</span><span class="p">,</span><span class="mi">0</span><span class="p">)</span> 3161 <span class="n">SuperVec</span> <span class="o">=</span> <span class="n">General</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">'SuperVec'</span><span class="p">,[])</span> 3162 <span class="k">else</span><span class="p">:</span> 3163 <span class="n">Super</span> <span class="o">=</span> <span class="mi">0</span> 3164 <span class="n">SuperVec</span> <span class="o">=</span> <span class="p">[]</span> 3020 3165 <span class="k">if</span> <span class="s">'list'</span> <span class="ow">in</span> <span class="nb">str</span><span class="p">(</span><span class="nb">type</span><span class="p">(</span><span class="n">data</span><span class="p">)):</span> <span class="c">#single crystal data is 2 dict in list</span> 3021 3166 <span class="n">refList</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="s">'RefList'</span><span class="p">]</span> … … 3025 3170 <span class="n">Hmin</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">([</span><span class="nb">int</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">min</span><span class="p">(</span><span class="n">refList</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="mi">0</span><span class="p">])),</span><span class="nb">int</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">min</span><span class="p">(</span><span class="n">refList</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="mi">1</span><span class="p">])),</span><span class="nb">int</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">min</span><span class="p">(</span><span class="n">refList</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="mi">2</span><span class="p">]))])</span> 3026 3171 <span class="n">Hmax</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">([</span><span class="nb">int</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">max</span><span class="p">(</span><span class="n">refList</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="mi">0</span><span class="p">])),</span><span class="nb">int</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">max</span><span class="p">(</span><span class="n">refList</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="mi">1</span><span class="p">])),</span><span class="nb">int</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">max</span><span class="p">(</span><span class="n">refList</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="mi">2</span><span class="p">]))])</span> 3027 <span class="n">Vpoint</span> <span class="o">=</span> <span class=" p">[</span><span class="nb">int</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">refList</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="mi">0</span><span class="p">])),</span><span class="nb">int</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">refList</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="mi">1</span><span class="p">])),</span><span class="nb">int</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">refList</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="mi">2</span><span class="p">]))]</span>3028 <span class="n">controls</span> <span class="o">=</span> <span class="p">{</span><span class="s">'Type'</span><span class="p">:</span><span class="s">'Fosq'</span><span class="p">,</span><span class="s">'Iscale'</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">'HKLmax'</span><span class="p">:</span><span class="n">Hmax</span><span class="p">,</span><span class="s">'HKLmin'</span><span class="p">:</span><span class="n">Hmin</span><span class="p">,</span> 3172 <span class="n">Vpoint</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">([</span><span class="nb">int</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">refList</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="mi">0</span><span class="p">])),</span><span class="nb">int</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">refList</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="mi">1</span><span class="p">])),</span><span class="nb">int</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">refList</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="mi">2</span><span class="p">]))])</span> 3173 <span class="n">controls</span> <span class="o">=</span> <span class="p">{</span><span class="s">'Type'</span><span class="p">:</span><span class="s">'Fosq'</span><span class="p">,</span><span class="s">'Iscale'</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">'HKLmax'</span><span class="p">:</span><span class="n">Hmax</span><span class="p">,</span><span class="s">'HKLmin'</span><span class="p">:</span><span class="n">Hmin</span><span class="p">,</span><span class="s">'Zone'</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">'viewKey'</span><span class="p">:</span><span class="s">'L'</span><span class="p">,</span> 3029 3174 <span class="s">'FoMax'</span> <span class="p">:</span> <span class="n">FoMax</span><span class="p">,</span><span class="s">'Scale'</span> <span class="p">:</span> <span class="mf">1.0</span><span class="p">,</span><span class="s">'Drawing'</span><span class="p">:{</span><span class="s">'viewPoint'</span><span class="p">:[</span><span class="n">Vpoint</span><span class="p">,[]],</span><span class="s">'default'</span><span class="p">:</span><span class="n">Vpoint</span><span class="p">[:],</span> 3030 <span class="s">'backColor'</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">0</span><span class="p">],</span><span class="s">'depthFog'</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">'Zclip'</span><span class="p">:</span><span class="mf">10.0</span><span class="p">,</span><span class="s">'cameraPos'</span><span class="p">:</span><span class="mf">10.</span><span class="p">,</span><span class="s">'Zstep'</span><span class="p">:</span><span class="mf">0.05</span><span class="p">,</span> 3031 <span class="s">'Scale'</span><span class="p">:</span><span class="mf">1.0</span><span class="p">,</span><span class="s">'oldxy'</span><span class="p">:[],</span><span class="s">'viewDir'</span><span class="p">:[</span><span class="mi"> 1</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="s">'Super'</span><span class="p">:</span><span class="n">Super</span><span class="p">,</span><span class="s">'SuperVec'</span><span class="p">:</span><span class="n">SuperVec</span><span class="p">}</span>3175 <span class="s">'backColor'</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">0</span><span class="p">],</span><span class="s">'depthFog'</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">'Zclip'</span><span class="p">:</span><span class="mf">10.0</span><span class="p">,</span><span class="s">'cameraPos'</span><span class="p">:</span><span class="mf">10.</span><span class="p">,</span><span class="s">'Zstep'</span><span class="p">:</span><span class="mf">0.05</span><span class="p">,</span><span class="s">'viewUp'</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="mi">0</span><span class="p">],</span> 3176 <span class="s">'Scale'</span><span class="p">:</span><span class="mf">1.0</span><span class="p">,</span><span class="s">'oldxy'</span><span class="p">:[],</span><span class="s">'viewDir'</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">'Super'</span><span class="p">:</span><span class="n">Super</span><span class="p">,</span><span class="s">'SuperVec'</span><span class="p">:</span><span class="n">SuperVec</span><span class="p">}</span> 3032 3177 <span class="n">G2plt</span><span class="o">.</span><span class="n">Plot3DSngl</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">newPlot</span><span class="o">=</span><span class="bp">True</span><span class="p">,</span><span class="n">Data</span><span class="o">=</span><span class="n">controls</span><span class="p">,</span><span class="n">hklRef</span><span class="o">=</span><span class="n">refList</span><span class="p">,</span><span class="n">Title</span><span class="o">=</span><span class="n">phaseName</span><span class="p">)</span> 3033 3178 … … 3036 3181 <span class="sd"> for a phase. </span> 3037 3182 <span class="sd"> '''</span> 3038 <span class="k">if</span> <span class="n">phaseName</span> <span class="p">:</span>3183 <span class="k">if</span> <span class="n">phaseName</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'Unknown'</span><span class="p">,]:</span> 3039 3184 <span class="n">pId</span> <span class="o">=</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">'Phases'</span><span class="p">)</span> 3040 3185 <span class="n">phaseId</span> <span class="o">=</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">pId</span><span class="p">,</span><span class="n">phaseName</span><span class="p">)</span> … … 3067 3212 <span class="k">elif</span> <span class="s">'T'</span> <span class="ow">in</span> <span class="n">Inst</span><span class="p">[</span><span class="s">'Type'</span><span class="p">][</span><span class="mi">0</span><span class="p">]:</span> 3068 3213 <span class="n">refs</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">vstack</span><span class="p">((</span><span class="n">refList</span><span class="o">.</span><span class="n">T</span><span class="p">[:</span><span class="mi">18</span><span class="o">+</span><span class="n">Super</span><span class="p">],</span><span class="n">I100</span><span class="p">))</span><span class="o">.</span><span class="n">T</span> 3069 <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">refs</span><span class="p">)):</span> <span class="n">rowLabels</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="nb">str</span><span class="p">(</span><span class="n">i</span><span class="p">))</span> 3214 <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">vstack</span><span class="p">((</span><span class="n">refList</span><span class="o">.</span><span class="n">T</span><span class="p">[:</span><span class="mi">6</span><span class="o">+</span><span class="n">Super</span><span class="p">]))</span><span class="o">.</span><span class="n">T</span> <span class="c">#build for plots</span> 3215 <span class="n">rowLabels</span> <span class="o">=</span> <span class="p">[</span><span class="nb">str</span><span class="p">(</span><span class="n">i</span><span class="p">)</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">refs</span><span class="p">))]</span> 3070 3216 <span class="n">Types</span> <span class="o">=</span> <span class="p">(</span><span class="mi">4</span><span class="o">+</span><span class="n">Super</span><span class="p">)</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_LONG</span><span class="p">,]</span><span class="o">+</span><span class="mi">4</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">':10,4'</span><span class="p">,]</span><span class="o">+</span> \ 3071 3217 <span class="mi">2</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">':10,2'</span><span class="p">,]</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">':10,3'</span><span class="p">,]</span><span class="o">+</span> \ 3072 3218 <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">':10,3'</span><span class="p">,]</span> 3073 3219 <span class="k">if</span> <span class="n">HKLF</span><span class="p">:</span> 3074 <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">'H'</span><span class="p">,</span><span class="s">'K'</span><span class="p">,</span><span class="s">'L'</span><span class="p">,</span><span class="s">' mul'</span><span class="p">,</span><span class="s">'d'</span><span class="p">,</span><span class="s">'Fosq'</span><span class="p">,</span><span class="s">'sig'</span><span class="p">,</span><span class="s">'Fcsq'</span><span class="p">,</span><span class="s">'FoTsq'</span><span class="p">,</span><span class="s">'FcTsq'</span><span class="p">,</span><span class="s">'phase'</span><span class="p">,</span><span class="s">'ExtC'</span><span class="p">,]</span>3220 <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">'H'</span><span class="p">,</span><span class="s">'K'</span><span class="p">,</span><span class="s">'L'</span><span class="p">,</span><span class="s">'twin'</span><span class="p">,</span><span class="s">'d'</span><span class="p">,</span><span class="s">'Fosq'</span><span class="p">,</span><span class="s">'sig'</span><span class="p">,</span><span class="s">'Fcsq'</span><span class="p">,</span><span class="s">'FoTsq'</span><span class="p">,</span><span class="s">'FcTsq'</span><span class="p">,</span><span class="s">'phase'</span><span class="p">,</span><span class="s">'ExtC'</span><span class="p">,]</span> 3075 3221 <span class="k">if</span> <span class="s">'T'</span> <span class="ow">in</span> <span class="n">Inst</span><span class="p">[</span><span class="s">'Type'</span><span class="p">][</span><span class="mi">0</span><span class="p">]:</span> 3076 <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">'H'</span><span class="p">,</span><span class="s">'K'</span><span class="p">,</span><span class="s">'L'</span><span class="p">,</span><span class="s">' mul'</span><span class="p">,</span><span class="s">'d'</span><span class="p">,</span><span class="s">'Fosq'</span><span class="p">,</span><span class="s">'sig'</span><span class="p">,</span><span class="s">'Fcsq'</span><span class="p">,</span><span class="s">'FoTsq'</span><span class="p">,</span><span class="s">'FcTsq'</span><span class="p">,</span><span class="s">'phase'</span><span class="p">,</span><span class="s">'ExtC'</span><span class="p">,</span><span class="s">'wave'</span><span class="p">,</span><span class="s">'tbar'</span><span class="p">]</span>3222 <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">'H'</span><span class="p">,</span><span class="s">'K'</span><span class="p">,</span><span class="s">'L'</span><span class="p">,</span><span class="s">'twin'</span><span class="p">,</span><span class="s">'d'</span><span class="p">,</span><span class="s">'Fosq'</span><span class="p">,</span><span class="s">'sig'</span><span class="p">,</span><span class="s">'Fcsq'</span><span class="p">,</span><span class="s">'FoTsq'</span><span class="p">,</span><span class="s">'FcTsq'</span><span class="p">,</span><span class="s">'phase'</span><span class="p">,</span><span class="s">'ExtC'</span><span class="p">,</span><span class="s">'wave'</span><span class="p">,</span><span class="s">'tbar'</span><span class="p">]</span> 3077 3223 <span class="n">Types</span> <span class="o">+=</span> <span class="mi">2</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">':10,3'</span><span class="p">,]</span> 3078 3224 <span class="k">if</span> <span class="n">Super</span><span class="p">:</span> … … 3115 3261 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetLabel</span><span class="p">(</span><span class="s">'Reflection List for '</span><span class="o">+</span><span class="n">phaseName</span><span class="p">)</span> 3116 3262 <span class="k">if</span> <span class="n">HKLF</span><span class="p">:</span> 3117 <span class="n">Status</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">'abs(DF)/sig > 10 red; > 3 yellow; mul < 0 (user rejected) red; mul=0 (sp. gp. absent) red'</span><span class="p">)</span>3263 <span class="n">Status</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">'abs(DF)/sig > 10 red; > 3 yellow; twin < 0 (user rejected) red; twin=0 (sp. gp. absent) red'</span><span class="p">)</span> 3118 3264 <span class="k">else</span><span class="p">:</span> 3119 3265 <span class="n">Status</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">'Prfo < 0. in red'</span><span class="p">)</span> … … 3122 3268 <span class="n">im</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">'Super'</span><span class="p">,</span><span class="mi">0</span><span class="p">)</span> 3123 3269 <span class="k">else</span><span class="p">:</span> 3124 <span class="k">if</span> <span class="s">'T'</span> <span class="ow">in</span> <span class="n">data</span><span class="p">[</span><span class="n">phaseName</span><span class="p">] [</span><span class="s">'Type'</span><span class="p">]:</span>3270 <span class="k">if</span> <span class="s">'T'</span> <span class="ow">in</span> <span class="n">data</span><span class="p">[</span><span class="n">phaseName</span><span class="p">]</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">'Type'</span><span class="p">,</span><span class="s">''</span><span class="p">):</span> 3125 3271 <span class="n">it</span> <span class="o">=</span> <span class="mi">3</span> 3126 3272 <span class="n">im</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="n">phaseName</span><span class="p">]</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">'Super'</span><span class="p">,</span><span class="mi">0</span><span class="p">)</span> … … 3169 3315 <span class="n">G2frame</span><span class="o">.</span><span class="n">RefList</span> <span class="o">=</span> <span class="mi">1</span> 3170 3316 <span class="n">phaseName</span> <span class="o">=</span> <span class="n">IsHistogramInAnyPhase</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">Name</span><span class="p">)</span> 3317 <span class="k">if</span> <span class="ow">not</span> <span class="n">phaseName</span><span class="p">:</span> 3318 <span class="n">phaseName</span> <span class="o">=</span> <span class="s">'Unknown'</span> 3171 3319 <span class="n">phases</span> <span class="o">=</span> <span class="p">[</span><span class="n">phaseName</span><span class="p">]</span> 3172 3320 <span class="k">else</span><span class="p">:</span> … … 3198 3346 <span class="n">G2frame</span><span class="o">.</span><span class="n">refTable</span><span class="p">[</span><span class="n">phase</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2G</span><span class="o">.</span><span class="n">GSGrid</span><span class="p">(</span><span class="n">parent</span><span class="o">=</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">)</span> 3199 3347 <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">G2frame</span><span class="o">.</span><span class="n">refTable</span><span class="p">[</span><span class="n">phase</span><span class="p">],</span><span class="n">phase</span><span class="p">)</span> 3200 <span class="k">if</span> <span class="n">phaseName</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">refTable</span><span class="p">:</span>3201 <span class="k">print</span> <span class="n">phaseName</span>3202 <span class="k">print</span> <span class="n">phases</span>3203 <span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s">"how did we get a invalid phase name?"</span><span class="p">)</span> 3348 <span class="c"># if phaseName not in G2frame.refTable:</span> 3349 <span class="c"># print phaseName</span> 3350 <span class="c"># print phases</span> 3351 <span class="c"># raise Exception("how did we get a invalid phase name?") </span> 3204 3352 <span class="n">ShowReflTable</span><span class="p">(</span><span class="n">phaseName</span><span class="p">)</span> 3205 3353 <span class="n">G2frame</span><span class="o">.</span><span class="n">refTable</span><span class="p">[</span><span class="n">phaseName</span><span class="p">]</span><span class="o">.</span><span class="n">Fit</span><span class="p">()</span> … … 4216 4364 <span class="k">global</span> <span class="n">inst</span> 4217 4365 <span class="n">tth2q</span> <span class="o">=</span> <span class="k">lambda</span> <span class="n">t</span><span class="p">,</span><span class="n">w</span><span class="p">:</span><span class="mf">4.0</span><span class="o">*</span><span class="n">math</span><span class="o">.</span><span class="n">pi</span><span class="o">*</span><span class="n">sind</span><span class="p">(</span><span class="n">t</span><span class="o">/</span><span class="mf">2.0</span><span class="p">)</span><span class="o">/</span><span class="n">w</span> 4366 <span class="n">tof2q</span> <span class="o">=</span> <span class="k">lambda</span> <span class="n">t</span><span class="p">,</span><span class="n">C</span><span class="p">:</span><span class="mf">2.0</span><span class="o">*</span><span class="n">math</span><span class="o">.</span><span class="n">pi</span><span class="o">*</span><span class="n">C</span><span class="o">/</span><span class="n">t</span> 4218 4367 <span class="n">dataFile</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">GetItemText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">PatternId</span><span class="p">)</span> 4219 4368 <span class="n">powName</span> <span class="o">=</span> <span class="s">'PWDR'</span><span class="o">+</span><span class="n">dataFile</span><span class="p">[</span><span class="mi">4</span><span class="p">:]</span> … … 4221 4370 <span class="n">fullLimits</span><span class="p">,</span><span class="n">limits</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><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">powId</span><span class="p">,</span> <span class="s">'Limits'</span><span class="p">))[:</span><span class="mi">2</span><span class="p">]</span> 4222 4371 <span class="n">inst</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><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">powId</span><span class="p">,</span> <span class="s">'Instrument Parameters'</span><span class="p">))[</span><span class="mi">0</span><span class="p">]</span> 4223 <span class="k">if</span> <span class="s">'Lam'</span> <span class="ow">in</span> <span class="n">inst</span><span class="p">:</span> 4224 <span class="n">keV</span> <span class="o">=</span> <span class="mf">12.397639</span><span class="o">/</span><span class="n">inst</span><span class="p">[</span><span class="s">'Lam'</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> 4225 <span class="k">else</span><span class="p">:</span> 4226 <span class="n">keV</span> <span class="o">=</span> <span class="mf">12.397639</span><span class="o">/</span><span class="n">inst</span><span class="p">[</span><span class="s">'Lam1'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> 4227 <span class="n">wave</span> <span class="o">=</span> <span class="mf">12.397639</span><span class="o">/</span><span class="n">keV</span> 4228 <span class="n">qLimits</span> <span class="o">=</span> <span class="p">[</span><span class="n">tth2q</span><span class="p">(</span><span class="n">fullLimits</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">wave</span><span class="p">),</span><span class="n">tth2q</span><span class="p">(</span><span class="n">fullLimits</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">wave</span><span class="p">)]</span> 4372 <span class="k">if</span> <span class="s">'C'</span> <span class="ow">in</span> <span class="n">inst</span><span class="p">[</span><span class="s">'Type'</span><span class="p">][</span><span class="mi">0</span><span class="p">]:</span> 4373 <span class="k">if</span> <span class="s">'Lam'</span> <span class="ow">in</span> <span class="n">inst</span><span class="p">:</span> 4374 <span class="n">keV</span> <span class="o">=</span> <span class="mf">12.397639</span><span class="o">/</span><span class="n">inst</span><span class="p">[</span><span class="s">'Lam'</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> 4375 <span class="k">else</span><span class="p">:</span> 4376 <span class="n">keV</span> <span class="o">=</span> <span class="mf">12.397639</span><span class="o">/</span><span class="n">inst</span><span class="p">[</span><span class="s">'Lam1'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> 4377 <span class="n">wave</span> <span class="o">=</span> <span class="mf">12.397639</span><span class="o">/</span><span class="n">keV</span> 4378 <span class="n">qLimits</span> <span class="o">=</span> <span class="p">[</span><span class="n">tth2q</span><span class="p">(</span><span class="n">fullLimits</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">wave</span><span class="p">),</span><span class="n">tth2q</span><span class="p">(</span><span class="n">fullLimits</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">wave</span><span class="p">)]</span> 4379 <span class="n">polariz</span> <span class="o">=</span> <span class="n">inst</span><span class="p">[</span><span class="s">'Polariz.'</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> 4380 <span class="k">else</span><span class="p">:</span> <span class="c">#'T'of</span> 4381 <span class="n">qLimits</span> <span class="o">=</span> <span class="p">[</span><span class="n">tof2q</span><span class="p">(</span><span class="n">fullLimits</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">inst</span><span class="p">[</span><span class="s">'difC'</span><span class="p">][</span><span class="mi">1</span><span class="p">]),</span><span class="n">tof2q</span><span class="p">(</span><span class="n">fullLimits</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">inst</span><span class="p">[</span><span class="s">'difC'</span><span class="p">][</span><span class="mi">1</span><span class="p">])]</span> 4382 <span class="n">polariz</span> <span class="o">=</span> <span class="mf">1.0</span> 4229 4383 <span class="n">data</span><span class="p">[</span><span class="s">'QScaleLim'</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">qLimits</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">data</span><span class="p">[</span><span class="s">'QScaleLim'</span><span class="p">][</span><span class="mi">1</span><span class="p">])</span> 4230 4384 <span class="k">if</span> <span class="n">data</span><span class="p">[</span><span class="s">'QScaleLim'</span><span class="p">][</span><span class="mi">0</span><span class="p">]:</span> … … 4232 4386 <span class="k">else</span><span class="p">:</span> <span class="c">#initial setting at 90% of max Q</span> 4233 4387 <span class="n">data</span><span class="p">[</span><span class="s">'QScaleLim'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="mf">0.90</span><span class="o">*</span><span class="n">data</span><span class="p">[</span><span class="s">'QScaleLim'</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> 4234 <span class="n">polariz</span> <span class="o">=</span> <span class="n">inst</span><span class="p">[</span><span class="s">'Polariz.'</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span>4235 4388 <span class="n">azimuth</span> <span class="o">=</span> <span class="n">inst</span><span class="p">[</span><span class="s">'Azimuth'</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> 4236 4389 <span class="n">itemDict</span> <span class="o">=</span> <span class="p">{}</span> … … 4521 4674 <span class="n">El</span> <span class="o">=</span> <span class="n">PE</span><span class="o">.</span><span class="n">Elem</span> 4522 4675 <span class="k">if</span> <span class="n">El</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">ElList</span> <span class="ow">and</span> <span class="n">El</span> <span class="o">!=</span> <span class="s">'None'</span><span class="p">:</span> 4523 <span class="n">ElemSym</span> <span class="o">=</span> <span class="n">El</span><span class="o">.</span><span class="n">strip</span><span class="p">()</span><span class="o">.</span><span class="n">capitalize</span><span class="p">()</span> 4524 <span class="n">FpMu</span> <span class="o">=</span> <span class="n">G2elem</span><span class="o">.</span><span class="n">FPcalc</span><span class="p">(</span><span class="n">G2elem</span><span class="o">.</span><span class="n">GetXsectionCoeff</span><span class="p">(</span><span class="n">ElemSym</span><span class="p">),</span> <span class="n">keV</span><span class="p">)</span> 4525 <span class="n">ElData</span> <span class="o">=</span> <span class="n">G2elem</span><span class="o">.</span><span class="n">GetFormFactorCoeff</span><span class="p">(</span><span class="n">ElemSym</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span> 4526 <span class="n">ElData</span><span class="p">[</span><span class="s">'FormulaNo'</span><span class="p">]</span> <span class="o">=</span> <span class="mf">0.0</span> 4527 <span class="n">ElData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">G2elem</span><span class="o">.</span><span class="n">GetAtomInfo</span><span class="p">(</span><span class="n">ElemSym</span><span class="p">))</span> 4528 <span class="n">ElData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="nb">dict</span><span class="p">(</span><span class="nb">zip</span><span class="p">([</span><span class="s">'fp'</span><span class="p">,</span><span class="s">'fpp'</span><span class="p">,</span><span class="s">'mu'</span><span class="p">],</span><span class="n">FpMu</span><span class="p">)))</span> 4529 <span class="n">ElData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">G2elem</span><span class="o">.</span><span class="n">GetFFC5</span><span class="p">(</span><span class="n">El</span><span class="p">))</span> 4676 <span class="n">ElemSym</span> <span class="o">=</span> <span class="n">El</span><span class="o">.</span><span class="n">strip</span><span class="p">()</span><span class="o">.</span><span class="n">capitalize</span><span class="p">()</span> 4677 <span class="k">if</span> <span class="s">'X'</span> <span class="ow">in</span> <span class="n">inst</span><span class="p">[</span><span class="s">'Type'</span><span class="p">][</span><span class="mi">0</span><span class="p">]:</span> 4678 <span class="n">FpMu</span> <span class="o">=</span> <span class="n">G2elem</span><span class="o">.</span><span class="n">FPcalc</span><span class="p">(</span><span class="n">G2elem</span><span class="o">.</span><span class="n">GetXsectionCoeff</span><span class="p">(</span><span class="n">ElemSym</span><span class="p">),</span> <span class="n">keV</span><span class="p">)</span> 4679 <span class="n">ElData</span> <span class="o">=</span> <span class="n">G2elem</span><span class="o">.</span><span class="n">GetFormFactorCoeff</span><span class="p">(</span><span class="n">ElemSym</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span> 4680 <span class="n">ElData</span><span class="p">[</span><span class="s">'FormulaNo'</span><span class="p">]</span> <span class="o">=</span> <span class="mf">0.0</span> 4681 <span class="n">ElData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">G2elem</span><span class="o">.</span><span class="n">GetAtomInfo</span><span class="p">(</span><span class="n">ElemSym</span><span class="p">))</span> 4682 <span class="n">ElData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="nb">dict</span><span class="p">(</span><span class="nb">zip</span><span class="p">([</span><span class="s">'fp'</span><span class="p">,</span><span class="s">'fpp'</span><span class="p">,</span><span class="s">'mu'</span><span class="p">],</span><span class="n">FpMu</span><span class="p">)))</span> 4683 <span class="n">ElData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">G2elem</span><span class="o">.</span><span class="n">GetFFC5</span><span class="p">(</span><span class="n">El</span><span class="p">))</span> 4684 <span class="k">else</span><span class="p">:</span> <span class="c">#'N'eutron</span> 4685 <span class="n">ElData</span> <span class="o">=</span> <span class="p">{}</span> 4686 <span class="n">ElData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">G2elem</span><span class="o">.</span><span class="n">GetAtomInfo</span><span class="p">(</span><span class="n">ElemSym</span><span class="p">))</span> 4687 <span class="n">ElData</span><span class="p">[</span><span class="s">'FormulaNo'</span><span class="p">]</span> <span class="o">=</span> <span class="mf">0.0</span> 4688 <span class="n">ElData</span><span class="o">.</span><span class="n">update</span><span class="p">({</span><span class="s">'mu'</span><span class="p">:</span><span class="mf">0.0</span><span class="p">,</span><span class="s">'fp'</span><span class="p">:</span><span class="mf">0.0</span><span class="p">,</span><span class="s">'fpp'</span><span class="p">:</span><span class="mf">0.0</span><span class="p">})</span> 4530 4689 <span class="n">data</span><span class="p">[</span><span class="s">'ElList'</span><span class="p">][</span><span class="n">El</span><span class="p">]</span> <span class="o">=</span> <span class="n">ElData</span> 4531 4690 <span class="n">data</span><span class="p">[</span><span class="s">'Form Vol'</span><span class="p">]</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="mf">10.0</span><span class="p">,</span><span class="n">SumElementVolumes</span><span class="p">())</span> … … 4606 4765 <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">parent</span><span class="o">=</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">' PDF data files: '</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span> 4607 4766 <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> 4608 <span class="nb">str</span> <span class="o">=</span> <span class="s">' Sample file: PWDR </span><span class="si">%s</span><span class="s"> Wavelength, A: </span><span class="si">%.5f</span><span class="s"> Energy, keV: </span><span class="si">%.3f</span><span class="s"> Polariz.: </span><span class="si">%.2f</span><span class="s"> '</span><span class="o">%</span><span class="p">(</span><span class="n">dataFile</span><span class="p">[</span><span class="mi">3</span><span class="p">:],</span><span class="n">wave</span><span class="p">,</span><span class="n">keV</span><span class="p">,</span><span class="n">polariz</span><span class="p">)</span> 4609 <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">parent</span><span class="o">=</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="nb">str</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span> 4767 <span class="k">if</span> <span class="s">'C'</span> <span class="ow">in</span> <span class="n">inst</span><span class="p">[</span><span class="s">'Type'</span><span class="p">][</span><span class="mi">0</span><span class="p">]:</span> 4768 <span class="nb">str</span> <span class="o">=</span> <span class="s">' Sample file: PWDR </span><span class="si">%s</span><span class="s"> Wavelength, A: </span><span class="si">%.5f</span><span class="s"> Energy, keV: </span><span class="si">%.3f</span><span class="s"> Polariz.: </span><span class="si">%.2f</span><span class="s"> '</span><span class="o">%</span><span class="p">(</span><span class="n">dataFile</span><span class="p">[</span><span class="mi">3</span><span class="p">:],</span><span class="n">wave</span><span class="p">,</span><span class="n">keV</span><span class="p">,</span><span class="n">polariz</span><span class="p">)</span> 4769 <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">parent</span><span class="o">=</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="nb">str</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span> 4610 4770 <span class="c"># dataSizer = wx.BoxSizer(wx.HORIZONTAL)</span> 4611 4771 <span class="c"># dataSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label='Azimuth'),0,WACV)</span>
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