Changeset 1709 for sphinxdocs/build/html/_modules/G2export_CIF.html
- Timestamp:
- Mar 14, 2015 5:35:03 PM (8 years ago)
- File:
-
- 1 edited
-
sphinxdocs/build/html/_modules/G2export_CIF.html (modified) (10 diffs)
Legend:
- Unmodified
- Added
- Removed
-
sphinxdocs/build/html/_modules/G2export_CIF.html
r1513 r1709 52 52 <span class="c"># -*- coding: utf-8 -*-</span> 53 53 <span class="c">########### SVN repository information ###################</span> 54 <span class="c"># $Date: 201 4-09-14 19:48:39 -0500 (Sun, 14 Sep 2014) $</span>54 <span class="c"># $Date: 2015-02-17 10:02:58 -0600 (Tue, 17 Feb 2015) $</span> 55 55 <span class="c"># $Author: vondreele $</span> 56 <span class="c"># $Revision: 1 496$</span>56 <span class="c"># $Revision: 1659 $</span> 57 57 <span class="c"># $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/exports/G2export_CIF.py $</span> 58 <span class="c"># $Id: G2export_CIF.py 1 496 2014-09-15 00:48:39Z vondreele $</span>58 <span class="c"># $Id: G2export_CIF.py 1659 2015-02-17 16:02:58Z vondreele $</span> 59 59 <span class="c">########### SVN repository information ###################</span> 60 60 <span class="sd">'''</span> … … 87 87 <span class="kn">import</span> <span class="nn">wx.lib.resizewidget</span> <span class="kn">as</span> <span class="nn">rw</span> 88 88 <span class="kn">import</span> <span class="nn">GSASIIpath</span> 89 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 1 496$"</span><span class="p">)</span>89 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 1659 $"</span><span class="p">)</span> 90 90 <span class="kn">import</span> <span class="nn">GSASIIIO</span> <span class="kn">as</span> <span class="nn">G2IO</span> 91 91 <span class="kn">import</span> <span class="nn">GSASIIgrid</span> <span class="kn">as</span> <span class="nn">G2gd</span> 92 <span class="kn">import</span> <span class="nn">GSASIIctrls</span> <span class="kn">as</span> <span class="nn">G2ctrls</span> 92 93 <span class="kn">import</span> <span class="nn">GSASIIstrIO</span> <span class="kn">as</span> <span class="nn">G2stIO</span> 93 94 <span class="kn">import</span> <span class="nn">GSASIImath</span> <span class="kn">as</span> <span class="nn">G2mth</span> … … 161 162 <span class="sd"> More could be done here, but this is a good start.</span> 162 163 <span class="sd"> '''</span> 163 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_pd_proc_info_datetime'</span><span class="p">,</span> <span class="bp">self</span><span class="o">.</span><span class="n">CIFdate</span><span class="p">)</span> 164 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_pd_calc_method'</span><span class="p">,</span> <span class="s">'Rietveld Refinement'</span><span class="p">)</span> 164 <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">ifPWDR</span><span class="p">:</span> 165 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_pd_proc_info_datetime'</span><span class="p">,</span> <span class="bp">self</span><span class="o">.</span><span class="n">CIFdate</span><span class="p">)</span> 166 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_pd_calc_method'</span><span class="p">,</span> <span class="s">'Rietveld Refinement'</span><span class="p">)</span> 165 167 <span class="c">#WriteCIFitem('_refine_ls_shift/su_max',DAT1)</span> 166 168 <span class="c">#WriteCIFitem('_refine_ls_shift/su_mean',DAT2)</span> 167 <span class="c">#WriteCIFitem('_refine_diff_density_max',rhomax) #these need to be defined for each phase!</span>168 <span class="c">#WriteCIFitem('_refine_diff_density_min',rhomin)</span>169 169 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_computing_structure_refinement'</span><span class="p">,</span><span class="s">'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)'</span><span class="p">)</span> 170 <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">ifHKLF</span><span class="p">:</span> 171 <span class="n">controls</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">OverallParms</span><span class="p">[</span><span class="s">'Controls'</span><span class="p">]</span> 172 <span class="k">if</span> <span class="n">controls</span><span class="p">[</span><span class="s">'F**2'</span><span class="p">]:</span> 173 <span class="n">thresh</span> <span class="o">=</span> <span class="s">'F**2></span><span class="si">%.1f</span><span class="s">u(F**2)'</span><span class="o">%</span><span class="p">(</span><span class="n">controls</span><span class="p">[</span><span class="s">'minF/sig'</span><span class="p">])</span> 174 <span class="k">else</span><span class="p">:</span> 175 <span class="n">thresh</span> <span class="o">=</span> <span class="s">'F></span><span class="si">%.1f</span><span class="s">u(F)'</span><span class="o">%</span><span class="p">(</span><span class="n">controls</span><span class="p">[</span><span class="s">'minF/sig'</span><span class="p">])</span> 176 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_reflns_threshold_expression'</span><span class="p">,</span> <span class="n">thresh</span><span class="p">)</span> 170 177 <span class="k">try</span><span class="p">:</span> 171 178 <span class="nb">vars</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="bp">self</span><span class="o">.</span><span class="n">OverallParms</span><span class="p">[</span><span class="s">'Covariance'</span><span class="p">][</span><span class="s">'varyList'</span><span class="p">]))</span> … … 919 926 <span class="k">if</span> <span class="ow">not</span> <span class="bp">self</span><span class="o">.</span><span class="n">quickmode</span> <span class="ow">and</span> <span class="n">phasedict</span><span class="p">[</span><span class="s">'General'</span><span class="p">][</span><span class="s">'Type'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'nuclear'</span><span class="p">:</span> <span class="c"># report distances and angles</span> 920 927 <span class="n">WriteDistances</span><span class="p">(</span><span class="n">phasenam</span><span class="p">,</span><span class="n">SymOpList</span><span class="p">,</span><span class="n">offsetList</span><span class="p">,</span><span class="n">symOpList</span><span class="p">,</span><span class="n">G2oprList</span><span class="p">)</span> 928 <span class="k">if</span> <span class="s">'Map'</span> <span class="ow">in</span> <span class="n">phasedict</span><span class="p">[</span><span class="s">'General'</span><span class="p">]</span> <span class="ow">and</span> <span class="s">'minmax'</span> <span class="ow">in</span> <span class="n">phasedict</span><span class="p">[</span><span class="s">'General'</span><span class="p">][</span><span class="s">'Map'</span><span class="p">]:</span> 929 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'</span><span class="se">\n</span><span class="s"># Difference density results'</span><span class="p">)</span> 930 <span class="n">MinMax</span> <span class="o">=</span> <span class="n">phasedict</span><span class="p">[</span><span class="s">'General'</span><span class="p">][</span><span class="s">'Map'</span><span class="p">][</span><span class="s">'minmax'</span><span class="p">]</span> 931 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_refine_diff_density_max'</span><span class="p">,</span><span class="n">G2mth</span><span class="o">.</span><span class="n">ValEsd</span><span class="p">(</span><span class="n">MinMax</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="o">-</span><span class="mf">0.009</span><span class="p">))</span> 932 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_refine_diff_density_min'</span><span class="p">,</span><span class="n">G2mth</span><span class="o">.</span><span class="n">ValEsd</span><span class="p">(</span><span class="n">MinMax</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="o">-</span><span class="mf">0.009</span><span class="p">))</span> 921 933 922 934 <span class="k">def</span> <span class="nf">Yfmt</span><span class="p">(</span><span class="n">ndec</span><span class="p">,</span><span class="n">val</span><span class="p">):</span> … … 1271 1283 <span class="k">if</span> <span class="ow">not</span> <span class="bp">self</span><span class="o">.</span><span class="n">quickmode</span><span class="p">:</span> <span class="c"># statistics only in a full CIF</span> 1272 1284 <span class="n">WriteReflStat</span><span class="p">(</span><span class="n">refcount</span><span class="p">,</span><span class="n">hklmin</span><span class="p">,</span><span class="n">hklmax</span><span class="p">,</span><span class="n">dmin</span><span class="p">,</span><span class="n">dmax</span><span class="p">)</span> 1273 <span class="n">hId</span> <span class="o">=</span> <span class="n">histblk</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">'hId'</span><span class="p">]</span> 1274 <span class="n">pfx</span> <span class="o">=</span> <span class="s">'0:'</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">hId</span><span class="p">)</span><span class="o">+</span><span class="s">':'</span> 1275 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_reflns_wR_factor_obs '</span><span class="p">,</span><span class="s">'</span><span class="si">%.4f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">histblk</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">'wR'</span><span class="p">]</span><span class="o">/</span><span class="mf">100.</span><span class="p">))</span> 1276 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_reflns_R_F_factor_obs '</span><span class="p">,</span><span class="s">'</span><span class="si">%.4f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">histblk</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="n">pfx</span><span class="o">+</span><span class="s">'Rf'</span><span class="p">]</span><span class="o">/</span><span class="mf">100.</span><span class="p">))</span> 1277 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_reflns_R_Fsqd_factor_obs'</span><span class="p">,</span><span class="s">'</span><span class="si">%.4f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">histblk</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="n">pfx</span><span class="o">+</span><span class="s">'Rf^2'</span><span class="p">]</span><span class="o">/</span><span class="mf">100.</span><span class="p">))</span> 1285 <span class="n">hId</span> <span class="o">=</span> <span class="n">histblk</span><span class="p">[</span><span class="s">'hId'</span><span class="p">]</span> 1286 <span class="n">hfx</span> <span class="o">=</span> <span class="s">'0:'</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">hId</span><span class="p">)</span><span class="o">+</span><span class="s">':'</span> 1287 <span class="n">phfx</span> <span class="o">=</span> <span class="s">'</span><span class="si">%d</span><span class="s">:</span><span class="si">%d</span><span class="s">:'</span><span class="o">%</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="n">hId</span><span class="p">)</span> 1288 <span class="n">extType</span><span class="p">,</span><span class="n">extModel</span><span class="p">,</span><span class="n">extParms</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">Phases</span><span class="p">[</span><span class="n">phasenam</span><span class="p">][</span><span class="s">'Histograms'</span><span class="p">][</span><span class="n">histlbl</span><span class="p">][</span><span class="s">'Extinction'</span><span class="p">]</span> 1289 <span class="k">if</span> <span class="n">extModel</span> <span class="o">!=</span> <span class="s">'None'</span><span class="p">:</span> 1290 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'# Extinction scaled by 1.e5'</span><span class="p">)</span> 1291 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_refine_ls_extinction_method'</span><span class="p">,</span><span class="s">'Becker-Coppens </span><span class="si">%s</span><span class="s"> </span><span class="si">%s</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">extModel</span><span class="p">,</span><span class="n">extType</span><span class="p">))</span> 1292 <span class="n">sig</span> <span class="o">=</span> <span class="o">-</span><span class="mf">1.e-3</span> 1293 <span class="k">if</span> <span class="n">extModel</span> <span class="o">==</span> <span class="s">'Primary'</span><span class="p">:</span> 1294 <span class="n">parm</span> <span class="o">=</span> <span class="n">extParms</span><span class="p">[</span><span class="s">'Ep'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span><span class="o">*</span><span class="mf">1.e5</span> 1295 <span class="k">if</span> <span class="n">extParms</span><span class="p">[</span><span class="s">'Ep'</span><span class="p">][</span><span class="mi">1</span><span class="p">]:</span> 1296 <span class="n">sig</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">sigDict</span><span class="p">[</span><span class="n">phfx</span><span class="o">+</span><span class="s">'Ep'</span><span class="p">]</span><span class="o">*</span><span class="mf">1.e5</span> 1297 <span class="n">text</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">ValEsd</span><span class="p">(</span><span class="n">parm</span><span class="p">,</span><span class="n">sig</span><span class="p">)</span> 1298 <span class="k">elif</span> <span class="n">extModel</span> <span class="o">==</span> <span class="s">'Secondary Type I'</span><span class="p">:</span> 1299 <span class="n">parm</span> <span class="o">=</span> <span class="n">extParms</span><span class="p">[</span><span class="s">'Eg'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span><span class="o">*</span><span class="mf">1.e5</span> 1300 <span class="k">if</span> <span class="n">extParms</span><span class="p">[</span><span class="s">'Eg'</span><span class="p">][</span><span class="mi">1</span><span class="p">]:</span> 1301 <span class="n">sig</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">sigDict</span><span class="p">[</span><span class="n">phfx</span><span class="o">+</span><span class="s">'Eg'</span><span class="p">]</span><span class="o">*</span><span class="mf">1.e5</span> 1302 <span class="n">text</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">ValEsd</span><span class="p">(</span><span class="n">parm</span><span class="p">,</span><span class="n">sig</span><span class="p">)</span> 1303 <span class="k">elif</span> <span class="n">extModel</span> <span class="o">==</span> <span class="s">'Secondary Type II'</span><span class="p">:</span> 1304 <span class="n">parm</span> <span class="o">=</span> <span class="n">extParms</span><span class="p">[</span><span class="s">'Es'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span><span class="o">*</span><span class="mf">1.e5</span> 1305 <span class="k">if</span> <span class="n">extParms</span><span class="p">[</span><span class="s">'Es'</span><span class="p">][</span><span class="mi">1</span><span class="p">]:</span> 1306 <span class="n">sig</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">sigDict</span><span class="p">[</span><span class="n">phfx</span><span class="o">+</span><span class="s">'Es'</span><span class="p">]</span><span class="o">*</span><span class="mf">1.e5</span> 1307 <span class="n">text</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">ValEsd</span><span class="p">(</span><span class="n">parm</span><span class="p">,</span><span class="n">sig</span><span class="p">)</span> 1308 <span class="k">elif</span> <span class="n">extModel</span> <span class="o">==</span> <span class="s">'Secondary Type I & II'</span><span class="p">:</span> 1309 <span class="n">parm</span> <span class="o">=</span> <span class="n">extParms</span><span class="p">[</span><span class="s">'Eg'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span><span class="o">*</span><span class="mf">1.e5</span> 1310 <span class="k">if</span> <span class="n">extParms</span><span class="p">[</span><span class="s">'Es'</span><span class="p">][</span><span class="mi">1</span><span class="p">]:</span> 1311 <span class="n">sig</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">sigDict</span><span class="p">[</span><span class="n">phfx</span><span class="o">+</span><span class="s">'Es'</span><span class="p">]</span><span class="o">*</span><span class="mf">1.e5</span> 1312 <span class="n">text</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">ValEsd</span><span class="p">(</span><span class="n">parm</span><span class="p">,</span><span class="n">sig</span><span class="p">)</span> 1313 <span class="n">sig</span> <span class="o">=</span> <span class="o">-</span><span class="mf">1.0e-3</span> 1314 <span class="n">parm</span> <span class="o">=</span> <span class="n">extParms</span><span class="p">[</span><span class="s">'Es'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span><span class="o">*</span><span class="mf">1.e5</span> 1315 <span class="k">if</span> <span class="n">extParms</span><span class="p">[</span><span class="s">'Es'</span><span class="p">][</span><span class="mi">1</span><span class="p">]:</span> 1316 <span class="n">sig</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">sigDict</span><span class="p">[</span><span class="n">phfx</span><span class="o">+</span><span class="s">'Es'</span><span class="p">]</span><span class="o">*</span><span class="mf">1.e5</span> 1317 <span class="n">text</span> <span class="o">+=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">ValEsd</span><span class="p">(</span><span class="n">parm</span><span class="p">,</span><span class="n">sig</span><span class="p">)</span> 1318 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_refine_ls_extinction_coef'</span><span class="p">,</span><span class="n">text</span><span class="p">)</span> 1319 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_refine_ls_extinction_expression'</span><span class="p">,</span><span class="s">'Becker & Coppens (1974). Acta Cryst. A30, 129-147'</span><span class="p">)</span> 1320 1321 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_refine_ls_wR_factor_gt '</span><span class="p">,</span><span class="s">'</span><span class="si">%.4f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">histblk</span><span class="p">[</span><span class="s">'wR'</span><span class="p">]</span><span class="o">/</span><span class="mf">100.</span><span class="p">))</span> 1322 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_refine_ls_R_factor_gt '</span><span class="p">,</span><span class="s">'</span><span class="si">%.4f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">histblk</span><span class="p">[</span><span class="n">hfx</span><span class="o">+</span><span class="s">'Rf'</span><span class="p">]</span><span class="o">/</span><span class="mf">100.</span><span class="p">))</span> 1323 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_refine_ls_R_Fsqd_factor '</span><span class="p">,</span><span class="s">'</span><span class="si">%.4f</span><span class="s">'</span><span class="o">%</span><span class="p">(</span><span class="n">histblk</span><span class="p">[</span><span class="n">hfx</span><span class="o">+</span><span class="s">'Rf^2'</span><span class="p">]</span><span class="o">/</span><span class="mf">100.</span><span class="p">))</span> 1278 1324 <span class="k">def</span> <span class="nf">EditAuthor</span><span class="p">(</span><span class="n">event</span><span class="o">=</span><span class="bp">None</span><span class="p">):</span> 1279 1325 <span class="s">'dialog to edit the CIF author info'</span> … … 1312 1358 <span class="k">if</span> <span class="n">instrname</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span> 1313 1359 <span class="n">d</span><span class="p">[</span><span class="s">'InstrName'</span><span class="p">]</span> <span class="o">=</span> <span class="s">''</span> 1314 <span class="k">return</span> <span class="n">G2 gd</span><span class="o">.</span><span class="n">CallScrolledMultiEditor</span><span class="p">(</span>1360 <span class="k">return</span> <span class="n">G2ctrls</span><span class="o">.</span><span class="n">CallScrolledMultiEditor</span><span class="p">(</span> 1315 1361 <span class="bp">self</span><span class="o">.</span><span class="n">G2frame</span><span class="p">,</span><span class="n">dictlist</span><span class="p">,</span><span class="n">keylist</span><span class="p">,</span> 1316 1362 <span class="n">prelbl</span><span class="o">=</span><span class="nb">range</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span><span class="nb">len</span><span class="p">(</span><span class="n">dictlist</span><span class="p">)</span><span class="o">+</span><span class="mi">1</span><span class="p">),</span> … … 1669 1715 1670 1716 <span class="c"># check there is an instrument name for every histogram</span> 1717 <span class="bp">self</span><span class="o">.</span><span class="n">ifPWDR</span> <span class="o">=</span> <span class="bp">False</span> 1718 <span class="bp">self</span><span class="o">.</span><span class="n">ifHKLF</span> <span class="o">=</span> <span class="bp">False</span> 1671 1719 <span class="k">if</span> <span class="ow">not</span> <span class="bp">self</span><span class="o">.</span><span class="n">quickmode</span><span class="p">:</span> 1672 1720 <span class="n">invalid</span> <span class="o">=</span> <span class="mi">0</span> 1673 1721 <span class="n">key3</span> <span class="o">=</span> <span class="s">'InstrName'</span> 1674 1722 <span class="k">for</span> <span class="n">hist</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">Histograms</span><span class="p">:</span> 1675 <span class="k">if</span> <span class="n">hist</span><span class="o">.</span><span class="n">startswith</span><span class="p">(</span><span class="s">"PWDR"</span><span class="p">):</span> 1723 <span class="k">if</span> <span class="n">hist</span><span class="o">.</span><span class="n">startswith</span><span class="p">(</span><span class="s">"PWDR"</span><span class="p">):</span> 1724 <span class="bp">self</span><span class="o">.</span><span class="n">ifPWDR</span> <span class="o">=</span> <span class="bp">True</span> 1676 1725 <span class="n">key2</span> <span class="o">=</span> <span class="s">"Sample Parameters"</span> 1677 1726 <span class="n">d</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">Histograms</span><span class="p">[</span><span class="n">hist</span><span class="p">][</span><span class="n">key2</span><span class="p">]</span> 1678 <span class="k">elif</span> <span class="n">hist</span><span class="o">.</span><span class="n">startswith</span><span class="p">(</span><span class="s">"HKLF"</span><span class="p">):</span> 1727 <span class="k">elif</span> <span class="n">hist</span><span class="o">.</span><span class="n">startswith</span><span class="p">(</span><span class="s">"HKLF"</span><span class="p">):</span> 1728 <span class="bp">self</span><span class="o">.</span><span class="n">ifHKLF</span> <span class="o">=</span> <span class="bp">True</span> 1679 1729 <span class="n">key2</span> <span class="o">=</span> <span class="s">"Instrument Parameters"</span> 1680 1730 <span class="n">d</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">Histograms</span><span class="p">[</span><span class="n">hist</span><span class="p">][</span><span class="n">key2</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> … … 1896 1946 <span class="n">WritePhaseInfo</span><span class="p">(</span><span class="n">phasenam</span><span class="p">)</span> 1897 1947 <span class="c"># preferred orientation</span> 1898 <span class="n">SH</span> <span class="o">=</span> <span class="n">FormatSH</span><span class="p">(</span><span class="n">phasenam</span><span class="p">)</span> 1899 <span class="n">MD</span> <span class="o">=</span> <span class="n">FormatHAPpo</span><span class="p">(</span><span class="n">phasenam</span><span class="p">)</span> 1900 <span class="k">if</span> <span class="n">SH</span> <span class="ow">and</span> <span class="n">MD</span><span class="p">:</span> 1901 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_pd_proc_ls_pref_orient_corr'</span><span class="p">,</span> <span class="n">SH</span> <span class="o">+</span> <span class="s">'</span><span class="se">\n</span><span class="s">'</span> <span class="o">+</span> <span class="n">MD</span><span class="p">)</span> 1902 <span class="k">elif</span> <span class="n">SH</span> <span class="ow">or</span> <span class="n">MD</span><span class="p">:</span> 1903 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_pd_proc_ls_pref_orient_corr'</span><span class="p">,</span> <span class="n">SH</span> <span class="o">+</span> <span class="n">MD</span><span class="p">)</span> 1904 <span class="k">else</span><span class="p">:</span> 1905 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_pd_proc_ls_pref_orient_corr'</span><span class="p">,</span> <span class="s">'none'</span><span class="p">)</span> 1948 <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">ifPWDR</span><span class="p">:</span> 1949 <span class="n">SH</span> <span class="o">=</span> <span class="n">FormatSH</span><span class="p">(</span><span class="n">phasenam</span><span class="p">)</span> 1950 <span class="n">MD</span> <span class="o">=</span> <span class="n">FormatHAPpo</span><span class="p">(</span><span class="n">phasenam</span><span class="p">)</span> 1951 <span class="k">if</span> <span class="n">SH</span> <span class="ow">and</span> <span class="n">MD</span><span class="p">:</span> 1952 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_pd_proc_ls_pref_orient_corr'</span><span class="p">,</span> <span class="n">SH</span> <span class="o">+</span> <span class="s">'</span><span class="se">\n</span><span class="s">'</span> <span class="o">+</span> <span class="n">MD</span><span class="p">)</span> 1953 <span class="k">elif</span> <span class="n">SH</span> <span class="ow">or</span> <span class="n">MD</span><span class="p">:</span> 1954 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_pd_proc_ls_pref_orient_corr'</span><span class="p">,</span> <span class="n">SH</span> <span class="o">+</span> <span class="n">MD</span><span class="p">)</span> 1955 <span class="k">else</span><span class="p">:</span> 1956 <span class="n">WriteCIFitem</span><span class="p">(</span><span class="s">'_pd_proc_ls_pref_orient_corr'</span><span class="p">,</span> <span class="s">'none'</span><span class="p">)</span> 1906 1957 <span class="c"># report sample profile terms</span> 1907 1958 <span class="n">PP</span> <span class="o">=</span> <span class="n">FormatPhaseProfile</span><span class="p">(</span><span class="n">phasenam</span><span class="p">)</span> … … 2447 2498 <span class="k">if</span> <span class="n">rng</span><span class="p">[</span><span class="mi">0</span><span class="p">]:</span> <span class="n">mn</span> <span class="o">=</span> <span class="n">hint</span><span class="p">(</span><span class="n">rng</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span> 2448 2499 <span class="k">if</span> <span class="n">rng</span><span class="p">[</span><span class="mi">1</span><span class="p">]:</span> <span class="n">mx</span> <span class="o">=</span> <span class="n">hint</span><span class="p">(</span><span class="n">rng</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span> 2449 <span class="n">ent</span> <span class="o">=</span> <span class="n">G2 gd</span><span class="o">.</span><span class="n">ValidatedTxtCtrl</span><span class="p">(</span>2500 <span class="n">ent</span> <span class="o">=</span> <span class="n">G2ctrls</span><span class="o">.</span><span class="n">ValidatedTxtCtrl</span><span class="p">(</span> 2450 2501 <span class="bp">self</span><span class="p">,</span><span class="n">dct</span><span class="p">,</span><span class="n">item</span><span class="p">,</span><span class="n">typeHint</span><span class="o">=</span><span class="n">hint</span><span class="p">,</span><span class="nb">min</span><span class="o">=</span><span class="n">mn</span><span class="p">,</span><span class="nb">max</span><span class="o">=</span><span class="n">mx</span><span class="p">,</span> 2451 2502 <span class="n">CIFinput</span><span class="o">=</span><span class="bp">True</span><span class="p">,</span> … … 2454 2505 <span class="k">return</span> <span class="n">ent</span> 2455 2506 <span class="n">rw1</span> <span class="o">=</span> <span class="n">rw</span><span class="o">.</span><span class="n">ResizeWidget</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> 2456 <span class="n">ent</span> <span class="o">=</span> <span class="n">G2 gd</span><span class="o">.</span><span class="n">ValidatedTxtCtrl</span><span class="p">(</span>2507 <span class="n">ent</span> <span class="o">=</span> <span class="n">G2ctrls</span><span class="o">.</span><span class="n">ValidatedTxtCtrl</span><span class="p">(</span> 2457 2508 <span class="n">rw1</span><span class="p">,</span><span class="n">dct</span><span class="p">,</span><span class="n">item</span><span class="p">,</span><span class="n">size</span><span class="o">=</span><span class="p">(</span><span class="mi">100</span><span class="p">,</span> <span class="mi">20</span><span class="p">),</span> 2458 2509 <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_MULTILINE</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>
Note: See TracChangeset
for help on using the changeset viewer.
