Changeset 1183 for trunk/sphinxdocs/build/html/_modules/GSASIIspc.html
- Timestamp:
- Jan 5, 2014 9:22:22 AM (8 years ago)
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trunk/sphinxdocs/build/html/_modules/GSASIIspc.html
r1168 r1183 61 61 <span class="sd">"""</span> 62 62 <span class="c">########### SVN repository information ###################</span> 63 <span class="c"># $Date: 2013- 06-28 14:28:13 -0500 (Fri, 28 Jun2013) $</span>63 <span class="c"># $Date: 2013-12-17 09:38:23 -0600 (Tue, 17 Dec 2013) $</span> 64 64 <span class="c"># $Author: vondreele $</span> 65 <span class="c"># $Revision: 973$</span>65 <span class="c"># $Revision: 1169 $</span> 66 66 <span class="c"># $URL: https://subversion.xor.aps.anl.gov/pyGSAS/trunk/GSASIIspc.py $</span> 67 <span class="c"># $Id: GSASIIspc.py 973 2013-06-28 19:28:13Z vondreele $</span>67 <span class="c"># $Id: GSASIIspc.py 1169 2013-12-17 15:38:23Z vondreele $</span> 68 68 <span class="c">########### SVN repository information ###################</span> 69 69 <span class="kn">import</span> <span class="nn">numpy</span> <span class="kn">as</span> <span class="nn">np</span> … … 75 75 76 76 <span class="kn">import</span> <span class="nn">GSASIIpath</span> 77 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 973$"</span><span class="p">)</span>77 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 1169 $"</span><span class="p">)</span> 78 78 <span class="kn">import</span> <span class="nn">pyspg</span> 79 79 … … 304 304 <div class="viewcode-block" id="MT2text"><a class="viewcode-back" href="../GSASIIutil.html#GSASIIspc.MT2text">[docs]</a><span class="k">def</span> <span class="nf">MT2text</span><span class="p">(</span><span class="n">M</span><span class="p">,</span><span class="n">T</span><span class="p">):</span> 305 305 <span class="s">"From space group matrix/translation operator returns text version"</span> 306 <span class="n">XYZ</span> <span class="o">=</span> <span class="p">(</span><span class="s">'-Z '</span><span class="p">,</span><span class="s">'-Y '</span><span class="p">,</span><span class="s">'-X '</span><span class="p">,</span><span class="s">'X-Y'</span><span class="p">,</span><span class="s">'ERR'</span><span class="p">,</span><span class="s">'Y-X'</span><span class="p">,</span><span class="s">' X '</span><span class="p">,</span><span class="s">' Y '</span><span class="p">,</span><span class="s">' Z '</span><span class="p">,</span><span class="s">'+X '</span><span class="p">,</span><span class="s">'+Y '</span><span class="p">,</span><span class="s">'+Z'</span><span class="p">)</span>306 <span class="n">XYZ</span> <span class="o">=</span> <span class="p">(</span><span class="s">'-Z'</span><span class="p">,</span><span class="s">'-Y'</span><span class="p">,</span><span class="s">'-X'</span><span class="p">,</span><span class="s">'X-Y'</span><span class="p">,</span><span class="s">'ERR'</span><span class="p">,</span><span class="s">'Y-X'</span><span class="p">,</span><span class="s">'X'</span><span class="p">,</span><span class="s">'Y'</span><span class="p">,</span><span class="s">'Z'</span><span class="p">)</span> 307 307 <span class="n">TRA</span> <span class="o">=</span> <span class="p">(</span><span class="s">' '</span><span class="p">,</span><span class="s">'ERR'</span><span class="p">,</span><span class="s">'1/6'</span><span class="p">,</span><span class="s">'1/4'</span><span class="p">,</span><span class="s">'1/3'</span><span class="p">,</span><span class="s">'ERR'</span><span class="p">,</span><span class="s">'1/2'</span><span class="p">,</span><span class="s">'ERR'</span><span class="p">,</span><span class="s">'2/3'</span><span class="p">,</span><span class="s">'3/4'</span><span class="p">,</span><span class="s">'5/6'</span><span class="p">,</span><span class="s">'ERR'</span><span class="p">)</span> 308 308 <span class="n">Fld</span> <span class="o">=</span> <span class="s">''</span> … … 310 310 <span class="n">IJ</span> <span class="o">=</span> <span class="nb">int</span><span class="p">(</span><span class="nb">round</span><span class="p">(</span><span class="mi">2</span><span class="o">*</span><span class="n">M</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span><span class="o">+</span><span class="mi">3</span><span class="o">*</span><span class="n">M</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span><span class="o">+</span><span class="mi">4</span><span class="o">*</span><span class="n">M</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">2</span><span class="p">]</span><span class="o">+</span><span class="mi">4</span><span class="p">))</span><span class="o">%</span><span class="mi">12</span> 311 311 <span class="n">IK</span> <span class="o">=</span> <span class="nb">int</span><span class="p">(</span><span class="nb">round</span><span class="p">(</span><span class="n">T</span><span class="p">[</span><span class="n">j</span><span class="p">]</span><span class="o">*</span><span class="mi">12</span><span class="p">))</span><span class="o">%</span><span class="mi">12</span> 312 <span class="k">if</span> <span class="n">IK</span> <span class="o">></span> <span class="mi">0</span> <span class="ow">and</span> <span class="n">IJ</span> <span class="o">></span> <span class="mi">4</span><span class="p">:</span> <span class="n">IJ</span> <span class="o">+=</span> <span class="mi">3</span> 313 <span class="n">Fld</span> <span class="o">+=</span> <span class="n">TRA</span><span class="p">[</span><span class="n">IK</span><span class="p">]</span><span class="o">+</span><span class="n">XYZ</span><span class="p">[</span><span class="n">IJ</span><span class="p">]</span> 314 <span class="k">if</span> <span class="n">j</span> <span class="o">!=</span> <span class="mi">2</span><span class="p">:</span> <span class="n">Fld</span> <span class="o">+=</span> <span class="s">','</span> 312 <span class="k">if</span> <span class="n">IK</span><span class="p">:</span> 313 <span class="k">if</span> <span class="n">IJ</span> <span class="o"><</span> <span class="mi">3</span><span class="p">:</span> 314 <span class="n">Fld</span> <span class="o">+=</span> <span class="n">TRA</span><span class="p">[</span><span class="n">IK</span><span class="p">]</span><span class="o">+</span><span class="n">XYZ</span><span class="p">[</span><span class="n">IJ</span><span class="p">]</span> 315 <span class="k">else</span><span class="p">:</span> 316 <span class="n">Fld</span> <span class="o">+=</span> <span class="n">TRA</span><span class="p">[</span><span class="n">IK</span><span class="p">]</span><span class="o">+</span><span class="s">'+'</span><span class="o">+</span><span class="n">XYZ</span><span class="p">[</span><span class="n">IJ</span><span class="p">]</span> 317 <span class="k">else</span><span class="p">:</span> 318 <span class="n">Fld</span> <span class="o">+=</span> <span class="n">XYZ</span><span class="p">[</span><span class="n">IJ</span><span class="p">]</span> 319 <span class="k">if</span> <span class="n">j</span> <span class="o">!=</span> <span class="mi">2</span><span class="p">:</span> <span class="n">Fld</span> <span class="o">+=</span> <span class="s">', '</span> 315 320 <span class="k">return</span> <span class="n">Fld</span> 316 321 </div>
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