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/GSASIIElem.html

    r1513 r1709  
    5757<span class="c"># Copyright: 2008, Robert B. Von Dreele &amp; Brian H. Toby (Argonne National Laboratory)</span>
    5858<span class="c">########### SVN repository information ###################</span>
    59 <span class="c"># $Date: 2014-08-01 15:19:48 -0500 (Fri, 01 Aug 2014) $</span>
    60 <span class="c"># $Author: vondreele $</span>
    61 <span class="c"># $Revision: 1453 $</span>
    62 <span class="c"># $URL: https://subversion.xor.aps.anl.gov/pyGSAS/trunk/GSASIIElem.py $</span>
    63 <span class="c"># $Id: GSASIIElem.py 1453 2014-08-01 20:19:48Z vondreele $</span>
     59<span class="c"># $Date: 2014-12-01 12:39:26 -0600 (Mon, 01 Dec 2014) $</span>
     60<span class="c"># $Author: toby $</span>
     61<span class="c"># $Revision: 1589 $</span>
     62<span class="c"># $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/GSASIIElem.py $</span>
     63<span class="c"># $Id: GSASIIElem.py 1589 2014-12-01 18:39:26Z toby $</span>
    6464<span class="c">########### SVN repository information ###################</span>
    6565
    … …  
    6767<span class="kn">import</span> <span class="nn">os.path</span>
    6868<span class="kn">import</span> <span class="nn">GSASIIpath</span>
    69 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">&quot;$Revision: 1453 $&quot;</span><span class="p">)</span>
     69<span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">&quot;$Revision: 1589 $&quot;</span><span class="p">)</span>
    7070<span class="kn">import</span> <span class="nn">numpy</span> <span class="kn">as</span> <span class="nn">np</span>
    7171<span class="kn">import</span> <span class="nn">atmdata</span>
    … …  
    211211    <span class="n">AtomInfo</span> <span class="o">=</span> <span class="p">{}</span>
    212212    <span class="n">ElS</span> <span class="o">=</span> <span class="n">getElSym</span><span class="p">(</span><span class="n">El</span><span class="p">)</span>
     213    <span class="k">if</span> <span class="n">El</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">atmdata</span><span class="o">.</span><span class="n">XrayFF</span><span class="p">:</span>
     214        <span class="k">if</span> <span class="n">ElS</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">atmdata</span><span class="o">.</span><span class="n">XrayFF</span><span class="p">:</span>
     215            <span class="k">print</span><span class="p">(</span><span class="s">&#39;Atom type &#39;</span><span class="o">+</span><span class="n">El</span><span class="o">+</span><span class="s">&#39; not found, using UNK&#39;</span><span class="p">)</span>
     216            <span class="k">return</span> <span class="c"># not sure what this element should be!</span>
     217        <span class="k">print</span><span class="p">(</span><span class="s">&#39;Atom type &#39;</span><span class="o">+</span><span class="n">El</span><span class="o">+</span><span class="s">&#39; not found, using &#39;</span><span class="o">+</span><span class="n">ElS</span><span class="p">)</span>
     218        <span class="n">El</span> <span class="o">=</span> <span class="n">ElS</span>
    213219    <span class="n">AtomInfo</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">&#39;Drad&#39;</span><span class="p">,</span><span class="s">&#39;Arad&#39;</span><span class="p">,</span><span class="s">&#39;Vdrad&#39;</span><span class="p">,</span><span class="s">&#39;Hbrad&#39;</span><span class="p">],</span><span class="n">atmdata</span><span class="o">.</span><span class="n">AtmSize</span><span class="p">[</span><span class="n">ElS</span><span class="p">])))</span>
    214220    <span class="n">AtomInfo</span><span class="p">[</span><span class="s">&#39;Symbol&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">El</span>
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