Changeset 1998 for sphinxdocs/build/html/_modules/GSASIIobj.html
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- Oct 10, 2015 9:59:34 PM (7 years ago)
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sphinxdocs/build/html/_modules/GSASIIobj.html
r1832 r1998 52 52 <span class="c">#GSASIIobj - data objects for GSAS-II</span> 53 53 <span class="c">########### SVN repository information ###################</span> 54 <span class="c"># $Date: 2015-0 4-27 16:55:12 -0500 (Mon, 27 Apr2015) $</span>54 <span class="c"># $Date: 2015-07-09 17:00:23 -0500 (Thu, 09 Jul 2015) $</span> 55 55 <span class="c"># $Author: vondreele $</span> 56 <span class="c"># $Revision: 1 813$</span>56 <span class="c"># $Revision: 1924 $</span> 57 57 <span class="c"># $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/GSASIIobj.py $</span> 58 <span class="c"># $Id: GSASIIobj.py 1 813 2015-04-27 21:55:12Z vondreele $</span>58 <span class="c"># $Id: GSASIIobj.py 1924 2015-07-09 22:00:23Z vondreele $</span> 59 59 <span class="c">########### SVN repository information ###################</span> 60 60 … … 414 414 <span class="sd"> single: Data object descriptions; Superspace Group Data</span> 415 415 416 <span class="sd">S pace groupsare interpreted by :func:`GSASIIspc.SSpcGroup` </span>416 <span class="sd">Superspace groups [3+1] are interpreted by :func:`GSASIIspc.SSpcGroup` </span> 417 417 <span class="sd">and the information is placed in a SSGdata object </span> 418 418 <span class="sd">which is a dict with these keys:</span> … … 917 917 <span class="kn">import</span> <span class="nn">numpy</span> <span class="kn">as</span> <span class="nn">np</span> 918 918 919 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 1 813$"</span><span class="p">)</span>919 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 1924 $"</span><span class="p">)</span> 920 920 921 921 <span class="n">DefaultControls</span> <span class="o">=</span> <span class="p">{</span> … … 923 923 <span class="s">'min dM/M'</span><span class="p">:</span><span class="mf">0.0001</span><span class="p">,</span><span class="s">'shift factor'</span><span class="p">:</span><span class="mf">1.</span><span class="p">,</span><span class="s">'max cyc'</span><span class="p">:</span><span class="mi">3</span><span class="p">,</span><span class="s">'F**2'</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span> 924 924 <span class="s">'UsrReject'</span><span class="p">:{</span><span class="s">'minF/sig'</span><span class="p">:</span><span class="mi">0</span><span class="p">,</span><span class="s">'MinExt'</span><span class="p">:</span><span class="mf">0.01</span><span class="p">,</span><span class="s">'MaxDF/F'</span><span class="p">:</span><span class="mf">100.</span><span class="p">,</span><span class="s">'MaxD'</span><span class="p">:</span><span class="mf">500.</span><span class="p">,</span><span class="s">'MinD'</span><span class="p">:</span><span class="mf">0.05</span><span class="p">},</span> 925 <span class="s">'Copy2Next'</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">'Reverse Seq'</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span> 925 <span class="s">'Copy2Next'</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">'Reverse Seq'</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">'HatomFix'</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span> 926 926 <span class="s">'Author'</span><span class="p">:</span><span class="s">'no name'</span><span class="p">,</span> 927 927 <span class="s">'FreePrm1'</span><span class="p">:</span><span class="s">'Sample humidity (%)'</span><span class="p">,</span> … … 1046 1046 <span class="n">PhaseIdLookup</span><span class="p">[</span><span class="n">pId</span><span class="p">]</span> <span class="o">=</span> <span class="p">(</span><span class="n">ph</span><span class="p">,</span><span class="n">ranId</span><span class="p">)</span> 1047 1047 <span class="n">PhaseRanIdLookup</span><span class="p">[</span><span class="n">ranId</span><span class="p">]</span> <span class="o">=</span> <span class="n">pId</span> 1048 <span class="n">shortname</span> <span class="o">=</span> <span class="n">ph</span> <span class="p">[:</span><span class="mi">10</span><span class="p">]</span>1048 <span class="n">shortname</span> <span class="o">=</span> <span class="n">ph</span> <span class="c">#[:10]</span> 1049 1049 <span class="k">while</span> <span class="n">shortname</span> <span class="ow">in</span> <span class="n">ShortPhaseNames</span><span class="o">.</span><span class="n">values</span><span class="p">():</span> 1050 1050 <span class="n">shortname</span> <span class="o">=</span> <span class="n">ph</span><span class="p">[:</span><span class="mi">8</span><span class="p">]</span> <span class="o">+</span> <span class="s">' ('</span><span class="o">+</span> <span class="n">pId</span> <span class="o">+</span> <span class="s">')'</span> … … 1350 1350 <span class="s">'Es$'</span> <span class="p">:</span> <span class="s">'Secondary type II extinction'</span><span class="p">,</span> 1351 1351 <span class="s">'Eg$'</span> <span class="p">:</span> <span class="s">'Secondary type I extinction'</span><span class="p">,</span> 1352 <span class="s">'Flack'</span> <span class="p">:</span> <span class="s">'Flack parameter'</span><span class="p">,</span> 1353 <span class="s">'TwinFr'</span> <span class="p">:</span> <span class="s">'Twin fraction'</span><span class="p">,</span> 1352 1354 <span class="c">#Histogram vars (:h:<var>)</span> 1353 1355 <span class="s">'Absorption'</span> <span class="p">:</span> <span class="s">'Absorption coef.'</span><span class="p">,</span>
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