Ignore:
Timestamp:
Mar 14, 2015 5:35:03 PM (8 years ago)
Author:
toby
Message:

change sphinx docs links; rebuild & fixing minor formatting

File:
1 edited

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  • sphinxdocs/build/html/_modules/G2sfact_CIF.html

    r1513 r1709  
    5151<span class="c"># -*- coding: utf-8 -*-</span>
    5252<span class="c">########### SVN repository information ###################</span>
    53 <span class="c"># $Date: 2014-08-01 15:19:48 -0500 (Fri, 01 Aug 2014) $</span>
     53<span class="c"># $Date: 2014-12-09 15:46:07 -0600 (Tue, 09 Dec 2014) $</span>
    5454<span class="c"># $Author: vondreele $</span>
    55 <span class="c"># $Revision: 1453 $</span>
    56 <span class="c"># $URL: https://subversion.xor.aps.anl.gov/pyGSAS/trunk/imports/G2sfact_CIF.py $</span>
    57 <span class="c"># $Id: G2sfact_CIF.py 1453 2014-08-01 20:19:48Z vondreele $</span>
     55<span class="c"># $Revision: 1601 $</span>
     56<span class="c"># $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/imports/G2sfact_CIF.py $</span>
     57<span class="c"># $Id: G2sfact_CIF.py 1601 2014-12-09 21:46:07Z vondreele $</span>
    5858<span class="c">########### SVN repository information ###################</span>
    5959<span class="sd">&#39;&#39;&#39;</span>
    … …  
    7070<span class="kn">import</span> <span class="nn">GSASIIIO</span> <span class="kn">as</span> <span class="nn">G2IO</span>
    7171<span class="kn">import</span> <span class="nn">GSASIIpath</span>
    72 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">&quot;$Revision: 1453 $&quot;</span><span class="p">)</span>
     72<span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">&quot;$Revision: 1601 $&quot;</span><span class="p">)</span>
    7373<span class="kn">import</span> <span class="nn">CifFile</span> <span class="kn">as</span> <span class="nn">cif</span> <span class="c"># PyCifRW from James Hester</span>
    7474
    … …  
    9191<span class="sd">        If multiple datasets are requested, use self.repeat and buffer caching.</span>
    9292<span class="sd">        &#39;&#39;&#39;</span>
    93         <span class="n">hklitems</span> <span class="o">=</span> <span class="p">[(</span><span class="s">&#39;_refln_index_h&#39;</span><span class="p">,</span><span class="s">&#39;_refln_index_k&#39;</span><span class="p">,</span><span class="s">&#39;_refln_index_l&#39;</span><span class="p">),</span>
    94                     <span class="p">(</span><span class="s">&#39;_refln.index_h&#39;</span><span class="p">,</span><span class="s">&#39;_refln.index_k&#39;</span><span class="p">,</span><span class="s">&#39;_refln.index_l&#39;</span><span class="p">)]</span>
     93        <span class="n">hklitems</span> <span class="o">=</span> <span class="p">[(</span><span class="s">&#39;_refln_index_h&#39;</span><span class="p">,</span><span class="s">&#39;_refln_index_k&#39;</span><span class="p">,</span><span class="s">&#39;_refln_index_l&#39;</span><span class="p">,</span><span class="s">&#39;_refln_index_m_1&#39;</span><span class="p">),</span>
     94                    <span class="p">(</span><span class="s">&#39;_refln.index_h&#39;</span><span class="p">,</span><span class="s">&#39;_refln.index_k&#39;</span><span class="p">,</span><span class="s">&#39;_refln.index_l&#39;</span><span class="p">,</span><span class="s">&#39;_refln.index_m_1&#39;</span><span class="p">)]</span>
    9595        <span class="n">cellitems</span> <span class="o">=</span> <span class="p">[</span>
    9696            <span class="p">(</span><span class="s">&#39;_cell_length_a&#39;</span><span class="p">,</span><span class="s">&#39;_cell_length_b&#39;</span><span class="p">,</span><span class="s">&#39;_cell_length_c&#39;</span><span class="p">,</span>
    … …  
    161161                <span class="n">gotFo</span> <span class="o">=</span> <span class="bp">False</span>
    162162                <span class="n">gotFo2</span> <span class="o">=</span> <span class="bp">False</span>
     163                <span class="n">im</span> <span class="o">=</span> <span class="mi">0</span>
    163164                <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="mi">2</span><span class="p">):</span>
    164165                    <span class="k">if</span> <span class="n">hklitems</span><span class="p">[</span><span class="n">i</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="ow">in</span> <span class="n">blkkeys</span> <span class="ow">and</span> <span class="n">hklitems</span><span class="p">[</span><span class="n">i</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> <span class="ow">in</span> <span class="n">blkkeys</span> <span class="ow">and</span> <span class="n">hklitems</span><span class="p">[</span><span class="n">i</span><span class="p">][</span><span class="mi">2</span><span class="p">]</span> <span class="ow">in</span> <span class="n">blkkeys</span><span class="p">:</span>
    165166                        <span class="n">dnIndex</span> <span class="o">=</span> <span class="n">i</span>
     167                        <span class="k">if</span> <span class="n">hklitems</span><span class="p">[</span><span class="n">i</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="ow">in</span> <span class="n">blkkeys</span><span class="p">:</span>   <span class="c">#Super lattice reflections h,k,l,m</span>
     168                            <span class="n">im</span> <span class="o">=</span> <span class="mi">1</span>
    166169                        <span class="k">break</span>
    167170                <span class="k">else</span><span class="p">:</span>
    … …  
    312315                            <span class="n">HKL</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="s">&#39;.&#39;</span><span class="p">)</span>
    313316                    <span class="c">#h,k,l,m,dsp,Fo2,sig,Fc2,Fot2,Fct2,phase,Ext</span>
    314                     <span class="n">ref</span> <span class="o">=</span> <span class="n">HKL</span><span class="o">+</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="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="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="mi">0</span><span class="p">,</span> <span class="mi">0</span><span class="p">]</span>
     317                    <span class="k">if</span> <span class="n">im</span><span class="p">:</span>
     318                        <span class="n">ref</span> <span class="o">=</span> <span class="n">HKL</span><span class="o">+</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="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="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="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>
     319                    <span class="k">else</span><span class="p">:</span>
     320                        <span class="n">ref</span> <span class="o">=</span> <span class="n">HKL</span><span class="o">+</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="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="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="mi">0</span><span class="p">,</span> <span class="mi">0</span><span class="p">]</span>
    315321                    <span class="k">if</span> <span class="n">F2dn</span><span class="p">:</span>
    316322                        <span class="n">F2</span> <span class="o">=</span> <span class="n">item</span><span class="p">[</span><span class="n">itemkeys</span><span class="p">[</span><span class="n">F2dn</span><span class="p">]]</span>
    … …  
    348354                            <span class="k">pass</span>
    349355                               
    350                     <span class="n">ref</span><span class="p">[</span><span class="mi">8</span><span class="p">]</span> <span class="o">=</span> <span class="n">F2</span>
    351                     <span class="n">ref</span><span class="p">[</span><span class="mi">5</span><span class="p">]</span> <span class="o">=</span> <span class="n">F2</span>
    352                     <span class="n">ref</span><span class="p">[</span><span class="mi">6</span><span class="p">]</span> <span class="o">=</span> <span class="n">sigF2</span>
    353                     <span class="n">ref</span><span class="p">[</span><span class="mi">9</span><span class="p">]</span> <span class="o">=</span> <span class="n">F2c</span>
    354                     <span class="n">ref</span><span class="p">[</span><span class="mi">7</span><span class="p">]</span> <span class="o">=</span> <span class="n">F2c</span>
     356                    <span class="n">ref</span><span class="p">[</span><span class="mi">8</span><span class="o">+</span><span class="n">im</span><span class="p">]</span> <span class="o">=</span> <span class="n">F2</span>
     357                    <span class="n">ref</span><span class="p">[</span><span class="mi">5</span><span class="o">+</span><span class="n">im</span><span class="p">]</span> <span class="o">=</span> <span class="n">F2</span>
     358                    <span class="n">ref</span><span class="p">[</span><span class="mi">6</span><span class="o">+</span><span class="n">im</span><span class="p">]</span> <span class="o">=</span> <span class="n">sigF2</span>
     359                    <span class="n">ref</span><span class="p">[</span><span class="mi">9</span><span class="o">+</span><span class="n">im</span><span class="p">]</span> <span class="o">=</span> <span class="n">F2c</span>
     360                    <span class="n">ref</span><span class="p">[</span><span class="mi">7</span><span class="o">+</span><span class="n">im</span><span class="p">]</span> <span class="o">=</span> <span class="n">F2c</span>
    355361                    <span class="k">try</span><span class="p">:</span>
    356362                        <span class="k">if</span> <span class="n">Phdn</span><span class="p">:</span>
    357                             <span class="n">ref</span><span class="p">[</span><span class="mi">10</span><span class="p">]</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">item</span><span class="p">[</span><span class="n">itemkeys</span><span class="p">[</span><span class="n">Phdn</span><span class="p">]])</span>
     363                            <span class="n">ref</span><span class="p">[</span><span class="mi">10</span><span class="o">+</span><span class="n">im</span><span class="p">]</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">item</span><span class="p">[</span><span class="n">itemkeys</span><span class="p">[</span><span class="n">Phdn</span><span class="p">]])</span>
    358364                    <span class="k">except</span><span class="p">:</span>
    359365                        <span class="k">pass</span>
    … …  
    371377                    <span class="n">Type</span> <span class="o">=</span> <span class="s">&#39;SNC&#39;</span>
    372378            <span class="k">else</span><span class="p">:</span>
    373                 <span class="nb">type</span> <span class="o">=</span> <span class="s">&#39;SXC&#39;</span>
     379                <span class="n">Type</span> <span class="o">=</span> <span class="s">&#39;SXC&#39;</span>
    374380            <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">Type</span>
     381            <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;Super&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">im</span>
    375382            <span class="k">if</span> <span class="n">blk</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">&#39;_diffrn_radiation_wavelength&#39;</span><span class="p">):</span>
    376383                <span class="n">wave</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">blk</span><span class="p">[</span><span class="s">&#39;_diffrn_radiation_wavelength&#39;</span><span class="p">])</span>
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