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50  <h1>Source code for G2sfact</h1><div class="highlight"><pre>
51<span class="c"># -*- coding: utf-8 -*-</span>
52<span class="c">########### SVN repository information ###################</span>
53<span class="c"># $Date: 2015-02-13 13:35:55 -0600 (Fri, 13 Feb 2015) $</span>
54<span class="c"># $Author: vondreele $</span>
55<span class="c"># $Revision: 1655 $</span>
56<span class="c"># $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/imports/G2sfact.py $</span>
57<span class="c"># $Id: G2sfact.py 1655 2015-02-13 19:35:55Z vondreele $</span>
58<span class="c">########### SVN repository information ###################</span>
59<span class="sd">&#39;&#39;&#39;</span>
60<span class="sd">*Module G2sfact: simple HKL import*</span>
61<span class="sd">-----------------------------------</span>
62<span class="sd">Read structure factors from a simple hkl file. Two routines are</span>
63<span class="sd">provided to read from files containing F or F\ :sup:`2` values.</span>
64
65<span class="sd">&#39;&#39;&#39;</span>
66<span class="kn">import</span> <span class="nn">sys</span>
67<span class="kn">import</span> <span class="nn">numpy</span> <span class="kn">as</span> <span class="nn">np</span>
68<span class="kn">import</span> <span class="nn">copy</span>
69<span class="kn">import</span> <span class="nn">GSASIIIO</span> <span class="kn">as</span> <span class="nn">G2IO</span>
70<span class="kn">import</span> <span class="nn">GSASIIpath</span>
71<span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">&quot;$Revision: 1655 $&quot;</span><span class="p">)</span>
72
73<div class="viewcode-block" id="ColumnValidator"><a class="viewcode-back" href="../imports.html#G2sfact.ColumnValidator">[docs]</a><span class="k">def</span> <span class="nf">ColumnValidator</span><span class="p">(</span><span class="n">parent</span><span class="p">,</span> <span class="n">filepointer</span><span class="p">,</span><span class="n">nCol</span><span class="o">=</span><span class="mi">5</span><span class="p">):</span>
74    <span class="s">&#39;Validate a file to check that it contains columns of numbers&#39;</span>
75    <span class="n">l</span> <span class="o">=</span> <span class="n">filepointer</span><span class="o">.</span><span class="n">readline</span><span class="p">()</span>
76    <span class="n">line</span> <span class="o">=</span> <span class="mi">1</span>
77    <span class="k">while</span> <span class="n">l</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;#&#39;</span><span class="p">,</span><span class="s">&#39;(&#39;</span><span class="p">]:</span>        <span class="c">#get past comments &amp; fortran formats, if any</span>
78        <span class="n">l</span> <span class="o">=</span> <span class="n">filepointer</span><span class="o">.</span><span class="n">readline</span><span class="p">()</span>       
79        <span class="n">line</span> <span class="o">+=</span> <span class="mi">1</span>
80    <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">10</span><span class="p">):</span> <span class="c"># scan a few lines</span>
81        <span class="n">S</span> <span class="o">=</span> <span class="n">l</span><span class="o">.</span><span class="n">split</span><span class="p">()</span>
82        <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">S</span><span class="p">)</span> <span class="o">&lt;</span> <span class="n">nCol</span><span class="p">:</span>
83            <span class="n">parent</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="s">&#39;line &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">line</span><span class="p">)</span><span class="o">+</span><span class="s">&#39;: invalid input</span><span class="se">\n</span><span class="s">&#39;</span><span class="o">+</span><span class="n">l</span>
84            <span class="k">return</span> <span class="bp">False</span>
85        <span class="k">for</span> <span class="n">v</span> <span class="ow">in</span> <span class="n">S</span><span class="p">[:</span><span class="n">nCol</span><span class="p">]:</span>
86            <span class="k">try</span><span class="p">:</span>
87                <span class="nb">float</span><span class="p">(</span><span class="n">v</span><span class="p">)</span>
88            <span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
89                <span class="n">parent</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="s">&#39;line &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">line</span><span class="p">)</span><span class="o">+</span><span class="s">&#39;: string found where a number is expected</span><span class="se">\n</span><span class="s">&#39;</span><span class="o">+</span><span class="n">l</span>
90                <span class="k">return</span> <span class="bp">False</span>           
91        <span class="n">l</span> <span class="o">=</span> <span class="n">filepointer</span><span class="o">.</span><span class="n">readline</span><span class="p">()</span>
92        <span class="n">line</span> <span class="o">+=</span> <span class="mi">1</span>
93    <span class="k">return</span> <span class="bp">True</span>
94
95</div>
96<div class="viewcode-block" id="HKLF_ReaderClass"><a class="viewcode-back" href="../imports.html#G2sfact.HKLF_ReaderClass">[docs]</a><span class="k">class</span> <span class="nc">HKLF_ReaderClass</span><span class="p">(</span><span class="n">G2IO</span><span class="o">.</span><span class="n">ImportStructFactor</span><span class="p">):</span>
97    <span class="s">&#39;Routines to import F, sig(F) reflections from a HKLF file&#39;</span>
98    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
99        <span class="nb">super</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">__class__</span><span class="p">,</span><span class="bp">self</span><span class="p">)</span><span class="o">.</span><span class="n">__init__</span><span class="p">(</span> <span class="c"># fancy way to self-reference</span>
100            <span class="n">extensionlist</span><span class="o">=</span><span class="p">(</span><span class="s">&#39;.hkl&#39;</span><span class="p">,</span><span class="s">&#39;.HKL&#39;</span><span class="p">),</span>
101            <span class="n">strictExtension</span><span class="o">=</span><span class="bp">False</span><span class="p">,</span>
102            <span class="n">formatName</span> <span class="o">=</span> <span class="s">&#39;HKL F&#39;</span><span class="p">,</span>
103            <span class="n">longFormatName</span> <span class="o">=</span> <span class="s">&#39;Simple [hkl, Fo, sig(Fo)] Structure factor text file&#39;</span>
104            <span class="p">)</span>
105
106<div class="viewcode-block" id="HKLF_ReaderClass.ContentsValidator"><a class="viewcode-back" href="../imports.html#G2sfact.HKLF_ReaderClass.ContentsValidator">[docs]</a>    <span class="k">def</span> <span class="nf">ContentsValidator</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">filepointer</span><span class="p">):</span>
107        <span class="s">&#39;Make sure file contains the expected columns on numbers&#39;</span>
108        <span class="k">return</span> <span class="n">ColumnValidator</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">filepointer</span><span class="p">)</span>
109</div>
110<div class="viewcode-block" id="HKLF_ReaderClass.Reader"><a class="viewcode-back" href="../imports.html#G2sfact.HKLF_ReaderClass.Reader">[docs]</a>    <span class="k">def</span> <span class="nf">Reader</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">filename</span><span class="p">,</span><span class="n">filepointer</span><span class="p">,</span> <span class="n">ParentFrame</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span> <span class="o">**</span><span class="n">unused</span><span class="p">):</span>
111        <span class="s">&#39;Read the file&#39;</span>
112        <span class="k">try</span><span class="p">:</span>
113            <span class="k">for</span> <span class="n">line</span><span class="p">,</span><span class="n">S</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">filepointer</span><span class="p">):</span>
114                <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="s">&#39;  Error reading line &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">line</span><span class="o">+</span><span class="mi">1</span><span class="p">)</span>
115                <span class="k">if</span> <span class="n">S</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;#&#39;</span><span class="p">:</span> <span class="k">continue</span>       <span class="c">#ignore comments, if any</span>
116                <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">Fo</span><span class="p">,</span><span class="n">sigFo</span> <span class="o">=</span> <span class="n">S</span><span class="o">.</span><span class="n">split</span><span class="p">()</span>
117                <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span> <span class="o">=</span> <span class="p">[</span><span class="nb">int</span><span class="p">(</span><span class="n">h</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">k</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">l</span><span class="p">)]</span>
118                <span class="k">if</span> <span class="ow">not</span> <span class="nb">any</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">]):</span>
119                    <span class="k">break</span>
120                <span class="n">Fo</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">Fo</span><span class="p">)</span>
121                <span class="n">sigFo</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">sigFo</span><span class="p">)</span>
122                <span class="c"># h,k,l,m,dsp,Fo2,sig,Fc2,Fot2,Fct2,phase,...</span>
123                <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</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="n">Fo</span><span class="o">**</span><span class="mi">2</span><span class="p">,</span><span class="mf">2.</span><span class="o">*</span><span class="n">Fo</span><span class="o">*</span><span class="n">sigFo</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">Fo</span><span class="o">**</span><span class="mi">2</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>
124                <span class="c">#self.RefDict[&#39;FF&#39;].append({}) # now done in OnImportSfact</span>
125            <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="s">&#39;Error after reading reflections (unexpected!)&#39;</span>
126            <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">])</span>
127            <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="s">&#39;SXC&#39;</span>
128            <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="mi">0</span>
129            <span class="bp">self</span><span class="o">.</span><span class="n">UpdateParameters</span><span class="p">(</span><span class="n">Type</span><span class="o">=</span><span class="s">&#39;SXC&#39;</span><span class="p">,</span><span class="n">Wave</span><span class="o">=</span><span class="bp">None</span><span class="p">)</span> <span class="c"># histogram type</span>
130            <span class="k">return</span> <span class="bp">True</span>
131        <span class="k">except</span> <span class="ne">Exception</span> <span class="k">as</span> <span class="n">detail</span><span class="p">:</span>
132            <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">+=</span> <span class="s">&#39;</span><span class="se">\n</span><span class="s">  &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">detail</span><span class="p">)</span>
133            <span class="k">print</span> <span class="s">&#39;</span><span class="se">\n\n</span><span class="s">&#39;</span><span class="o">+</span><span class="bp">self</span><span class="o">.</span><span class="n">formatName</span><span class="o">+</span><span class="s">&#39; read error: &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">detail</span><span class="p">)</span> <span class="c"># for testing</span>
134            <span class="kn">import</span> <span class="nn">traceback</span>
135            <span class="n">traceback</span><span class="o">.</span><span class="n">print_exc</span><span class="p">(</span><span class="nb">file</span><span class="o">=</span><span class="n">sys</span><span class="o">.</span><span class="n">stdout</span><span class="p">)</span>
136            <span class="k">return</span> <span class="bp">False</span>
137</div></div>
138<div class="viewcode-block" id="HKLF2_ReaderClass"><a class="viewcode-back" href="../imports.html#G2sfact.HKLF2_ReaderClass">[docs]</a><span class="k">class</span> <span class="nc">HKLF2_ReaderClass</span><span class="p">(</span><span class="n">G2IO</span><span class="o">.</span><span class="n">ImportStructFactor</span><span class="p">):</span>
139    <span class="s">&#39;Routines to import F**2, sig(F**2) reflections from a HKLF file&#39;</span>
140    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
141        <span class="nb">super</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">__class__</span><span class="p">,</span><span class="bp">self</span><span class="p">)</span><span class="o">.</span><span class="n">__init__</span><span class="p">(</span> <span class="c"># fancy way to self-reference</span>
142            <span class="n">extensionlist</span><span class="o">=</span><span class="p">(</span><span class="s">&#39;.hkl&#39;</span><span class="p">,</span><span class="s">&#39;.HKL&#39;</span><span class="p">),</span>
143            <span class="n">strictExtension</span><span class="o">=</span><span class="bp">False</span><span class="p">,</span>
144            <span class="n">formatName</span> <span class="o">=</span> <span class="s">u&#39;HKL F</span><span class="se">\u00b2</span><span class="s">&#39;</span><span class="p">,</span>
145            <span class="n">longFormatName</span> <span class="o">=</span> <span class="s">u&#39;Simple [hkl, Fo</span><span class="se">\u00b2</span><span class="s">, sig(Fo</span><span class="se">\u00b2</span><span class="s">)] Structure factor text file&#39;</span>
146            <span class="p">)</span>
147
148<div class="viewcode-block" id="HKLF2_ReaderClass.ContentsValidator"><a class="viewcode-back" href="../imports.html#G2sfact.HKLF2_ReaderClass.ContentsValidator">[docs]</a>    <span class="k">def</span> <span class="nf">ContentsValidator</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">filepointer</span><span class="p">):</span>
149        <span class="s">&#39;Make sure file contains the expected columns on numbers&#39;</span>
150        <span class="k">return</span> <span class="n">ColumnValidator</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">filepointer</span><span class="p">)</span>
151</div>
152<div class="viewcode-block" id="HKLF2_ReaderClass.Reader"><a class="viewcode-back" href="../imports.html#G2sfact.HKLF2_ReaderClass.Reader">[docs]</a>    <span class="k">def</span> <span class="nf">Reader</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">filename</span><span class="p">,</span><span class="n">filepointer</span><span class="p">,</span> <span class="n">ParentFrame</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span> <span class="o">**</span><span class="n">unused</span><span class="p">):</span>
153        <span class="s">&#39;Read the file&#39;</span>
154        <span class="k">try</span><span class="p">:</span>
155            <span class="k">for</span> <span class="n">line</span><span class="p">,</span><span class="n">S</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">filepointer</span><span class="p">):</span>
156                <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="s">&#39;  Error reading line &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">line</span><span class="o">+</span><span class="mi">1</span><span class="p">)</span>
157                <span class="k">if</span> <span class="n">S</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;#&#39;</span><span class="p">:</span> <span class="k">continue</span>       <span class="c">#ignore comments, if any</span>
158                <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">Fo</span><span class="p">,</span><span class="n">sigFo</span> <span class="o">=</span> <span class="n">S</span><span class="o">.</span><span class="n">split</span><span class="p">()</span>
159                <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span> <span class="o">=</span> <span class="p">[</span><span class="nb">int</span><span class="p">(</span><span class="n">h</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">k</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">l</span><span class="p">)]</span>
160                <span class="k">if</span> <span class="ow">not</span> <span class="nb">any</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">]):</span>
161                    <span class="k">break</span>
162                <span class="n">Fo</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">Fo</span><span class="p">)</span>
163                <span class="n">sigFo</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">sigFo</span><span class="p">)</span>
164                <span class="c"># h,k,l,m,dsp,Fo2,sig,Fc2,Fot2,Fct2,phase,...</span>
165                <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</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="n">Fo</span><span class="p">,</span><span class="n">sigFo</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">Fo</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>
166                <span class="c">#self.RefDict[&#39;FF&#39;].append({}) # now done in OnImportSfact</span>
167            <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="s">&#39;Error after reading reflections (unexpected!)&#39;</span>
168            <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">])</span>
169            <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="s">&#39;SXC&#39;</span>
170            <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="mi">0</span>
171            <span class="bp">self</span><span class="o">.</span><span class="n">UpdateParameters</span><span class="p">(</span><span class="n">Type</span><span class="o">=</span><span class="s">&#39;SXC&#39;</span><span class="p">,</span><span class="n">Wave</span><span class="o">=</span><span class="bp">None</span><span class="p">)</span> <span class="c"># histogram type</span>
172            <span class="k">return</span> <span class="bp">True</span>
173        <span class="k">except</span> <span class="ne">Exception</span> <span class="k">as</span> <span class="n">detail</span><span class="p">:</span>
174            <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">+=</span> <span class="s">&#39;</span><span class="se">\n</span><span class="s">  &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">detail</span><span class="p">)</span>
175            <span class="k">print</span> <span class="s">&#39;</span><span class="se">\n\n</span><span class="s">&#39;</span><span class="o">+</span><span class="bp">self</span><span class="o">.</span><span class="n">formatName</span><span class="o">+</span><span class="s">&#39; read error: &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">detail</span><span class="p">)</span> <span class="c"># for testing</span>
176            <span class="kn">import</span> <span class="nn">traceback</span>
177            <span class="n">traceback</span><span class="o">.</span><span class="n">print_exc</span><span class="p">(</span><span class="nb">file</span><span class="o">=</span><span class="n">sys</span><span class="o">.</span><span class="n">stdout</span><span class="p">)</span>
178            <span class="k">return</span> <span class="bp">False</span>
179            </div></div>
180<div class="viewcode-block" id="M90_ReaderClass"><a class="viewcode-back" href="../imports.html#G2sfact.M90_ReaderClass">[docs]</a><span class="k">class</span> <span class="nc">M90_ReaderClass</span><span class="p">(</span><span class="n">G2IO</span><span class="o">.</span><span class="n">ImportStructFactor</span><span class="p">):</span>
181    <span class="s">&#39;Routines to import F**2, sig(F**2) reflections from a JANA M90 file&#39;</span>
182    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
183        <span class="nb">super</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">__class__</span><span class="p">,</span><span class="bp">self</span><span class="p">)</span><span class="o">.</span><span class="n">__init__</span><span class="p">(</span> <span class="c"># fancy way to self-reference</span>
184            <span class="n">extensionlist</span><span class="o">=</span><span class="p">(</span><span class="s">&#39;.m90&#39;</span><span class="p">,</span><span class="s">&#39;.M90&#39;</span><span class="p">),</span>
185            <span class="n">strictExtension</span><span class="o">=</span><span class="bp">False</span><span class="p">,</span>
186            <span class="n">formatName</span> <span class="o">=</span> <span class="s">u&#39;JANA M90&#39;</span><span class="p">,</span>
187            <span class="n">longFormatName</span> <span class="o">=</span> <span class="s">u&#39;Simple [hkl, Fo</span><span class="se">\u00b2</span><span class="s">, sig(Fo</span><span class="se">\u00b2</span><span class="s">)] Structure factor text file&#39;</span>
188            <span class="p">)</span>
189        <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">=</span> <span class="mi">0</span>
190
191<div class="viewcode-block" id="M90_ReaderClass.ContentsValidator"><a class="viewcode-back" href="../imports.html#G2sfact.M90_ReaderClass.ContentsValidator">[docs]</a>    <span class="k">def</span> <span class="nf">ContentsValidator</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">filepointer</span><span class="p">):</span>
192        <span class="s">&#39;Discover how many columns are in the m90 file - could be 9-12 depending on satellites&#39;</span>
193        <span class="n">numCols</span> <span class="o">=</span> <span class="mi">0</span>
194        <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">line</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">filepointer</span><span class="p">):</span>
195            <span class="k">if</span> <span class="s">&#39;Data&#39;</span> <span class="ow">in</span> <span class="n">line</span><span class="p">:</span>
196                <span class="n">startData</span> <span class="o">=</span> <span class="n">i</span>
197                <span class="k">break</span>
198        <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">line</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">filepointer</span><span class="p">):</span>
199            <span class="k">if</span> <span class="n">i</span> <span class="o">&gt;</span> <span class="n">startData</span><span class="p">:</span>
200                <span class="n">numCols</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">numCols</span><span class="p">,</span><span class="nb">len</span><span class="p">(</span><span class="n">line</span><span class="o">.</span><span class="n">split</span><span class="p">()))</span>
201            <span class="k">if</span> <span class="n">i</span> <span class="o">&gt;</span> <span class="n">startData</span><span class="o">+</span><span class="mi">20</span><span class="p">:</span>
202                <span class="k">break</span>
203        <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">=</span> <span class="n">numCols</span><span class="o">-</span><span class="mi">9</span>     <span class="c">#= 0,1,2,or 3</span>
204        <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">&gt;</span> <span class="mi">1</span><span class="p">:</span>
205            <span class="k">raise</span> <span class="bp">self</span><span class="o">.</span><span class="n">ImportException</span><span class="p">(</span><span class="s">&quot;Supersymmetry too high; GSAS-II limited to (3+1) supersymmetry&quot;</span><span class="p">)</span>           
206        <span class="k">return</span> <span class="bp">True</span> <span class="c">#ColumnValidator(self, filepointer)</span>
207</div>
208<div class="viewcode-block" id="M90_ReaderClass.Reader"><a class="viewcode-back" href="../imports.html#G2sfact.M90_ReaderClass.Reader">[docs]</a>    <span class="k">def</span> <span class="nf">Reader</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">filename</span><span class="p">,</span><span class="n">filepointer</span><span class="p">,</span> <span class="n">ParentFrame</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span> <span class="o">**</span><span class="n">unused</span><span class="p">):</span>
209        <span class="s">&#39;Read the file&#39;</span>
210        <span class="k">try</span><span class="p">:</span>
211            <span class="k">for</span> <span class="n">line</span><span class="p">,</span><span class="n">S</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">filepointer</span><span class="p">):</span>
212                <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="s">&#39;  Error reading line &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">line</span><span class="o">+</span><span class="mi">1</span><span class="p">)</span>
213                <span class="k">if</span> <span class="n">S</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;#&#39;</span><span class="p">:</span> <span class="k">continue</span>       <span class="c">#ignore comments, if any</span>
214                <span class="k">try</span><span class="p">:</span>
215                    <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
216                        <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">Fo</span><span class="p">,</span><span class="n">sigFo</span> <span class="o">=</span> <span class="n">S</span><span class="o">.</span><span class="n">split</span><span class="p">()[:</span><span class="mi">5</span><span class="p">]</span>
217                        <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span> <span class="o">=</span> <span class="p">[</span><span class="nb">int</span><span class="p">(</span><span class="n">h</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">k</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">l</span><span class="p">)]</span>
218                    <span class="k">elif</span> <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">==</span> <span class="mi">1</span><span class="p">:</span>
219                        <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">m1</span><span class="p">,</span><span class="n">Fo</span><span class="p">,</span><span class="n">sigFo</span> <span class="o">=</span> <span class="n">S</span><span class="o">.</span><span class="n">split</span><span class="p">()[:</span><span class="mi">6</span><span class="p">]</span>
220                        <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">m1</span> <span class="o">=</span> <span class="p">[</span><span class="nb">int</span><span class="p">(</span><span class="n">h</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">k</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">l</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">m1</span><span class="p">)]</span>
221                <span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>  <span class="c">#skipping text at front</span>
222                    <span class="n">text</span> <span class="o">=</span> <span class="n">S</span><span class="o">.</span><span class="n">split</span><span class="p">()</span>
223                    <span class="k">if</span> <span class="n">text</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;lambda&#39;</span><span class="p">:</span>
224                        <span class="n">wave</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">text</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span>
225                    <span class="k">continue</span>
226                <span class="n">Fo</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">Fo</span><span class="p">)</span>
227                <span class="n">sigFo</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">sigFo</span><span class="p">)</span>
228                <span class="c"># h,k,l,m,dsp,Fo2,sig,Fc2,Fot2,Fct2,phase,...</span>
229                <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
230                    <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</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="n">Fo</span><span class="p">,</span><span class="n">sigFo</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">Fo</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>
231                <span class="k">elif</span> <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">==</span> <span class="mi">1</span><span class="p">:</span>
232                    <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">m1</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="n">Fo</span><span class="p">,</span><span class="n">sigFo</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">Fo</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>
233            <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="s">&#39;Error after reading reflections (unexpected!)&#39;</span>
234            <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">])</span>
235            <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="s">&#39;SXC&#39;</span>
236            <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="bp">self</span><span class="o">.</span><span class="n">Super</span>
237            <span class="bp">self</span><span class="o">.</span><span class="n">UpdateParameters</span><span class="p">(</span><span class="n">Type</span><span class="o">=</span><span class="s">&#39;SXC&#39;</span><span class="p">,</span><span class="n">Wave</span><span class="o">=</span><span class="n">wave</span><span class="p">)</span> <span class="c"># histogram type</span>
238            <span class="k">return</span> <span class="bp">True</span>
239        <span class="k">except</span> <span class="ne">Exception</span> <span class="k">as</span> <span class="n">detail</span><span class="p">:</span>
240            <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">+=</span> <span class="s">&#39;</span><span class="se">\n</span><span class="s">  &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">detail</span><span class="p">)</span>
241            <span class="k">print</span> <span class="s">&#39;</span><span class="se">\n\n</span><span class="s">&#39;</span><span class="o">+</span><span class="bp">self</span><span class="o">.</span><span class="n">formatName</span><span class="o">+</span><span class="s">&#39; read error: &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">detail</span><span class="p">)</span> <span class="c"># for testing</span>
242            <span class="kn">import</span> <span class="nn">traceback</span>
243            <span class="n">traceback</span><span class="o">.</span><span class="n">print_exc</span><span class="p">(</span><span class="nb">file</span><span class="o">=</span><span class="n">sys</span><span class="o">.</span><span class="n">stdout</span><span class="p">)</span>
244            <span class="k">return</span> <span class="bp">False</span>
245            </div></div>
246<div class="viewcode-block" id="SHELX5_ReaderClass"><a class="viewcode-back" href="../imports.html#G2sfact.SHELX5_ReaderClass">[docs]</a><span class="k">class</span> <span class="nc">SHELX5_ReaderClass</span><span class="p">(</span><span class="n">G2IO</span><span class="o">.</span><span class="n">ImportStructFactor</span><span class="p">):</span>
247    <span class="s">&#39;Routines to import F**2, sig(F**2) reflections from a fixed format SHELX HKLF5 file&#39;</span>
248    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
249        <span class="nb">super</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">__class__</span><span class="p">,</span><span class="bp">self</span><span class="p">)</span><span class="o">.</span><span class="n">__init__</span><span class="p">(</span> <span class="c"># fancy way to self-reference</span>
250            <span class="n">extensionlist</span><span class="o">=</span><span class="p">(</span><span class="s">&#39;.hkl&#39;</span><span class="p">,</span><span class="s">&#39;.HKL&#39;</span><span class="p">),</span>
251            <span class="n">strictExtension</span><span class="o">=</span><span class="bp">False</span><span class="p">,</span>
252            <span class="n">formatName</span> <span class="o">=</span> <span class="s">u&#39;SHELX HKL F</span><span class="se">\u00b2</span><span class="s">&#39;</span><span class="p">,</span>
253            <span class="n">longFormatName</span> <span class="o">=</span> <span class="s">u&#39;SHELX HKLF5 [hkl, Fo</span><span class="se">\u00b2</span><span class="s">, sig(Fo</span><span class="se">\u00b2</span><span class="s">)] Structure factor text file&#39;</span>
254            <span class="p">)</span>
255        <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">=</span> <span class="mi">0</span>
256
257<div class="viewcode-block" id="SHELX5_ReaderClass.ContentsValidator"><a class="viewcode-back" href="../imports.html#G2sfact.SHELX5_ReaderClass.ContentsValidator">[docs]</a>    <span class="k">def</span> <span class="nf">ContentsValidator</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">filepointer</span><span class="p">):</span>
258        <span class="s">&#39;Discover how many characters are in the SHELX file - could be 32-44 depending on satellites&#39;</span>
259        <span class="n">numCols</span> <span class="o">=</span> <span class="mi">0</span>
260        <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">line</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">filepointer</span><span class="p">):</span>
261            <span class="n">numCols</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">numCols</span><span class="p">,</span><span class="nb">len</span><span class="p">(</span><span class="n">line</span><span class="p">))</span>
262            <span class="k">if</span> <span class="n">i</span> <span class="o">&gt;</span> <span class="mi">20</span><span class="p">:</span>
263                <span class="k">break</span>
264        <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">=</span> <span class="p">(</span><span class="n">numCols</span><span class="o">-</span><span class="mi">33</span><span class="p">)</span><span class="o">/</span><span class="mi">4</span>     <span class="c">#= 0,1,2,or 3</span>
265        <span class="k">print</span> <span class="n">numCols</span><span class="p">,</span><span class="bp">self</span><span class="o">.</span><span class="n">Super</span>
266        <span class="k">return</span> <span class="bp">True</span> <span class="c">#ColumnValidator(self, filepointer)</span>
267</div>
268<div class="viewcode-block" id="SHELX5_ReaderClass.Reader"><a class="viewcode-back" href="../imports.html#G2sfact.SHELX5_ReaderClass.Reader">[docs]</a>    <span class="k">def</span> <span class="nf">Reader</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">filename</span><span class="p">,</span><span class="n">filepointer</span><span class="p">,</span> <span class="n">ParentFrame</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span> <span class="o">**</span><span class="n">unused</span><span class="p">):</span>
269        <span class="s">&#39;Read the file&#39;</span>
270        <span class="k">try</span><span class="p">:</span>
271            <span class="k">for</span> <span class="n">line</span><span class="p">,</span><span class="n">S</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">filepointer</span><span class="p">):</span>
272                <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="s">&#39;  Error reading line &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">line</span><span class="o">+</span><span class="mi">1</span><span class="p">)</span>
273                <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
274                    <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">Fo</span><span class="p">,</span><span class="n">sigFo</span> <span class="o">=</span> <span class="n">S</span><span class="p">[:</span><span class="mi">4</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">4</span><span class="p">:</span><span class="mi">8</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">8</span><span class="p">:</span><span class="mi">12</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">12</span><span class="p">:</span><span class="mi">20</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">20</span><span class="p">:</span><span class="mi">28</span><span class="p">]</span>
275                    <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span> <span class="o">=</span> <span class="p">[</span><span class="nb">int</span><span class="p">(</span><span class="n">h</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">k</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">l</span><span class="p">)]</span>
276                <span class="k">elif</span> <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">==</span> <span class="mi">1</span><span class="p">:</span>
277                    <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">m1</span><span class="p">,</span><span class="n">Fo</span><span class="p">,</span><span class="n">sigFo</span> <span class="o">=</span> <span class="n">S</span><span class="p">[:</span><span class="mi">4</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">4</span><span class="p">:</span><span class="mi">8</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">8</span><span class="p">:</span><span class="mi">12</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">12</span><span class="p">:</span><span class="mi">16</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">16</span><span class="p">:</span><span class="mi">24</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">24</span><span class="p">:</span><span class="mi">32</span><span class="p">]</span>
278                    <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">m1</span> <span class="o">=</span> <span class="p">[</span><span class="nb">int</span><span class="p">(</span><span class="n">h</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">k</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">l</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">m1</span><span class="p">)]</span>
279                <span class="k">elif</span> <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">==</span> <span class="mi">2</span><span class="p">:</span>
280                    <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">m1</span><span class="p">,</span><span class="n">m2</span><span class="p">,</span><span class="n">Fo</span><span class="p">,</span><span class="n">sigFo</span> <span class="o">=</span> <span class="n">S</span><span class="p">[:</span><span class="mi">4</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">4</span><span class="p">:</span><span class="mi">8</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">8</span><span class="p">:</span><span class="mi">12</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">12</span><span class="p">:</span><span class="mi">16</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">16</span><span class="p">:</span><span class="mi">20</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">20</span><span class="p">:</span><span class="mi">28</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">28</span><span class="p">:</span><span class="mi">36</span><span class="p">]</span>
281                    <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">m1</span><span class="p">,</span><span class="n">m2</span> <span class="o">=</span> <span class="p">[</span><span class="nb">int</span><span class="p">(</span><span class="n">h</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">k</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">l</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">m1</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">m2</span><span class="p">)]</span>
282                <span class="k">elif</span> <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">==</span> <span class="mi">3</span><span class="p">:</span>
283                    <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">m1</span><span class="p">,</span><span class="n">m2</span><span class="p">,</span><span class="n">m3</span><span class="p">,</span><span class="n">Fo</span><span class="p">,</span><span class="n">sigFo</span> <span class="o">=</span> <span class="n">S</span><span class="p">[:</span><span class="mi">4</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">4</span><span class="p">:</span><span class="mi">8</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">8</span><span class="p">:</span><span class="mi">12</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">12</span><span class="p">:</span><span class="mi">16</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">16</span><span class="p">:</span><span class="mi">20</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">20</span><span class="p">:</span><span class="mi">24</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">24</span><span class="p">:</span><span class="mi">32</span><span class="p">],</span><span class="n">S</span><span class="p">[</span><span class="mi">32</span><span class="p">:</span><span class="mi">40</span><span class="p">]</span>
284                    <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">m1</span><span class="p">,</span><span class="n">m2</span><span class="p">,</span><span class="n">m3</span> <span class="o">=</span> <span class="p">[</span><span class="nb">int</span><span class="p">(</span><span class="n">h</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">k</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">l</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">m1</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">m2</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">m3</span><span class="p">)]</span>
285                <span class="k">if</span> <span class="ow">not</span> <span class="nb">any</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">]):</span>
286                    <span class="k">break</span>
287                <span class="n">Fo</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">Fo</span><span class="p">)</span>
288                <span class="n">sigFo</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">sigFo</span><span class="p">)</span>
289                <span class="c"># h,k,l,m,dsp,Fo2,sig,Fc2,Fot2,Fct2,phase,...</span>
290                <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
291                    <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</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="n">Fo</span><span class="p">,</span><span class="n">sigFo</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">Fo</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>
292                <span class="k">elif</span> <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">==</span> <span class="mi">1</span><span class="p">:</span>
293                    <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">m1</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="n">Fo</span><span class="p">,</span><span class="n">sigFo</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">Fo</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>
294                <span class="k">elif</span> <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">==</span> <span class="mi">2</span><span class="p">:</span>
295                    <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">m1</span><span class="p">,</span><span class="n">m2</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="n">Fo</span><span class="p">,</span><span class="n">sigFo</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">Fo</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>
296                <span class="k">elif</span> <span class="bp">self</span><span class="o">.</span><span class="n">Super</span> <span class="o">==</span> <span class="mi">3</span><span class="p">:</span>
297                    <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">m1</span><span class="p">,</span><span class="n">m2</span><span class="p">,</span><span class="n">m3</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="n">Fo</span><span class="p">,</span><span class="n">sigFo</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">Fo</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>
298                <span class="c">#self.RefDict[&#39;FF&#39;].append({}) # now done in OnImportSfact</span>
299            <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="s">&#39;Error after reading reflections (unexpected!)&#39;</span>
300            <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">])</span>
301            <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="s">&#39;SXC&#39;</span>
302            <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="bp">self</span><span class="o">.</span><span class="n">Super</span>
303            <span class="bp">self</span><span class="o">.</span><span class="n">UpdateParameters</span><span class="p">(</span><span class="n">Type</span><span class="o">=</span><span class="s">&#39;SXC&#39;</span><span class="p">,</span><span class="n">Wave</span><span class="o">=</span><span class="bp">None</span><span class="p">)</span> <span class="c"># histogram type</span>
304            <span class="k">return</span> <span class="bp">True</span>
305        <span class="k">except</span> <span class="ne">Exception</span> <span class="k">as</span> <span class="n">detail</span><span class="p">:</span>
306            <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">+=</span> <span class="s">&#39;</span><span class="se">\n</span><span class="s">  &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">detail</span><span class="p">)</span>
307            <span class="k">print</span> <span class="s">&#39;</span><span class="se">\n\n</span><span class="s">&#39;</span><span class="o">+</span><span class="bp">self</span><span class="o">.</span><span class="n">formatName</span><span class="o">+</span><span class="s">&#39; read error: &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">detail</span><span class="p">)</span> <span class="c"># for testing</span>
308            <span class="kn">import</span> <span class="nn">traceback</span>
309            <span class="n">traceback</span><span class="o">.</span><span class="n">print_exc</span><span class="p">(</span><span class="nb">file</span><span class="o">=</span><span class="n">sys</span><span class="o">.</span><span class="n">stdout</span><span class="p">)</span>
310            <span class="k">return</span> <span class="bp">False</span>
311</div></div>
312<div class="viewcode-block" id="NT_HKLF2_ReaderClass"><a class="viewcode-back" href="../imports.html#G2sfact.NT_HKLF2_ReaderClass">[docs]</a><span class="k">class</span> <span class="nc">NT_HKLF2_ReaderClass</span><span class="p">(</span><span class="n">G2IO</span><span class="o">.</span><span class="n">ImportStructFactor</span><span class="p">):</span>
313    <span class="s">&#39;Routines to import neutron TOF F**2, sig(F**2) reflections from a HKLF file&#39;</span>
314    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
315        <span class="nb">super</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">__class__</span><span class="p">,</span><span class="bp">self</span><span class="p">)</span><span class="o">.</span><span class="n">__init__</span><span class="p">(</span> <span class="c"># fancy way to self-reference</span>
316            <span class="n">extensionlist</span><span class="o">=</span><span class="p">(</span><span class="s">&#39;.hkl&#39;</span><span class="p">,</span><span class="s">&#39;.HKL&#39;</span><span class="p">),</span>
317            <span class="n">strictExtension</span><span class="o">=</span><span class="bp">False</span><span class="p">,</span>
318            <span class="n">formatName</span> <span class="o">=</span> <span class="s">u&#39;Neutron TOF HKL F</span><span class="se">\u00b2</span><span class="s">&#39;</span><span class="p">,</span>
319            <span class="n">longFormatName</span> <span class="o">=</span> <span class="s">u&#39;Neutron TOF [hkl, Fo</span><span class="se">\u00b2</span><span class="s">, sig(Fo</span><span class="se">\u00b2</span><span class="s">),...] Structure factor text file&#39;</span>
320            <span class="p">)</span>
321
322<div class="viewcode-block" id="NT_HKLF2_ReaderClass.ContentsValidator"><a class="viewcode-back" href="../imports.html#G2sfact.NT_HKLF2_ReaderClass.ContentsValidator">[docs]</a>    <span class="k">def</span> <span class="nf">ContentsValidator</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">filepointer</span><span class="p">):</span>
323        <span class="s">&#39;Make sure file contains the expected columns on numbers &amp; count number of data blocks - &quot;Banks&quot;&#39;</span>
324        <span class="n">oldNo</span> <span class="o">=</span> <span class="o">-</span><span class="mi">1</span>
325        <span class="k">for</span> <span class="n">line</span><span class="p">,</span><span class="n">S</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">filepointer</span><span class="p">):</span>
326            <span class="k">if</span> <span class="ow">not</span> <span class="n">S</span><span class="p">:</span>   <span class="c">#empty line terminates read</span>
327                <span class="k">break</span>
328            <span class="k">if</span> <span class="n">S</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;#&#39;</span><span class="p">:</span> <span class="k">continue</span>       <span class="c">#ignore comments, if any</span>
329            <span class="k">if</span> <span class="n">S</span><span class="o">.</span><span class="n">split</span><span class="p">()[:</span><span class="mi">3</span><span class="p">]</span> <span class="o">==</span> <span class="p">[</span><span class="s">&#39;0&#39;</span><span class="p">,</span><span class="s">&#39;0&#39;</span><span class="p">,</span><span class="s">&#39;0&#39;</span><span class="p">]:</span>
330                <span class="k">break</span>
331            <span class="n">bankNo</span> <span class="o">=</span> <span class="n">S</span><span class="o">.</span><span class="n">split</span><span class="p">()[</span><span class="mi">5</span><span class="p">]</span>
332            <span class="k">if</span> <span class="n">bankNo</span> <span class="o">!=</span> <span class="n">oldNo</span><span class="p">:</span>
333                <span class="bp">self</span><span class="o">.</span><span class="n">Banks</span><span class="o">.</span><span class="n">append</span><span class="p">({</span><span class="s">&#39;RefDict&#39;</span><span class="p">:{</span><span class="s">&#39;RefList&#39;</span><span class="p">:[],}})</span>
334                <span class="n">oldNo</span> <span class="o">=</span> <span class="n">bankNo</span>
335        <span class="n">filepointer</span><span class="o">.</span><span class="n">seek</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
336        <span class="k">return</span> <span class="n">ColumnValidator</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">filepointer</span><span class="p">,</span><span class="n">nCol</span><span class="o">=</span><span class="mi">8</span><span class="p">)</span>
337</div>
338<div class="viewcode-block" id="NT_HKLF2_ReaderClass.Reader"><a class="viewcode-back" href="../imports.html#G2sfact.NT_HKLF2_ReaderClass.Reader">[docs]</a>    <span class="k">def</span> <span class="nf">Reader</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">filename</span><span class="p">,</span><span class="n">filepointer</span><span class="p">,</span> <span class="n">ParentFrame</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span> <span class="o">**</span><span class="n">unused</span><span class="p">):</span>
339        <span class="s">&#39;Read the file&#39;</span>
340        <span class="n">filepointer</span><span class="o">.</span><span class="n">seek</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
341        <span class="k">try</span><span class="p">:</span>
342            <span class="k">for</span> <span class="n">line</span><span class="p">,</span><span class="n">S</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">filepointer</span><span class="p">):</span>
343                <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="s">&#39;  Error reading line &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">line</span><span class="o">+</span><span class="mi">1</span><span class="p">)</span>
344                <span class="k">if</span> <span class="n">S</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;#&#39;</span><span class="p">:</span> <span class="k">continue</span>       <span class="c">#ignore comments, if any</span>
345                <span class="n">data</span> <span class="o">=</span> <span class="n">S</span><span class="o">.</span><span class="n">split</span><span class="p">()</span>
346                <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">Fo</span><span class="p">,</span><span class="n">sigFo</span><span class="p">,</span><span class="n">bN</span><span class="p">,</span><span class="n">wave</span><span class="p">,</span><span class="n">tbar</span> <span class="o">=</span> <span class="n">data</span><span class="p">[:</span><span class="mi">8</span><span class="p">]</span>  <span class="c">#bN = 1..., 6 dir cos next                    </span>
347                <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span> <span class="o">=</span> <span class="p">[</span><span class="nb">int</span><span class="p">(</span><span class="n">h</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">k</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">l</span><span class="p">)]</span>
348                <span class="k">if</span> <span class="ow">not</span> <span class="nb">any</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">]):</span>
349                    <span class="k">break</span>
350                <span class="n">Fo</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">Fo</span><span class="p">)</span>
351                <span class="n">sigFo</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">sigFo</span><span class="p">)</span>
352                <span class="n">wave</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">wave</span><span class="p">)</span>
353                <span class="n">tbar</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">tbar</span><span class="p">)</span>
354                <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">Banks</span><span class="p">):</span>
355                    <span class="bp">self</span><span class="o">.</span><span class="n">Banks</span><span class="p">[</span><span class="nb">int</span><span class="p">(</span><span class="n">bN</span><span class="p">)</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="s">&#39;RefDict&#39;</span><span class="p">][</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</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="n">Fo</span><span class="p">,</span><span class="n">sigFo</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">Fo</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="n">wave</span><span class="p">,</span><span class="n">tbar</span><span class="p">])</span>
356                <span class="k">else</span><span class="p">:</span>
357                <span class="c"># h,k,l,m,dsp,Fo2,sig,Fc2,Fot2,Fct2,phase,...</span>
358                    <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</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="n">Fo</span><span class="p">,</span><span class="n">sigFo</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">Fo</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="n">wave</span><span class="p">,</span><span class="n">tbar</span><span class="p">])</span>
359            <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">Banks</span><span class="p">):</span>
360                <span class="bp">self</span><span class="o">.</span><span class="n">UpdateParameters</span><span class="p">(</span><span class="n">Type</span><span class="o">=</span><span class="s">&#39;SNT&#39;</span><span class="p">,</span><span class="n">Wave</span><span class="o">=</span><span class="bp">None</span><span class="p">)</span> <span class="c"># histogram type</span>
361                <span class="k">for</span> <span class="n">Bank</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">Banks</span><span class="p">:</span>
362                    <span class="n">Bank</span><span class="p">[</span><span class="s">&#39;RefDict&#39;</span><span class="p">][</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">Bank</span><span class="p">[</span><span class="s">&#39;RefDict&#39;</span><span class="p">][</span><span class="s">&#39;RefList&#39;</span><span class="p">])</span>
363                    <span class="n">Bank</span><span class="p">[</span><span class="s">&#39;RefDict&#39;</span><span class="p">][</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="s">&#39;SNT&#39;</span>                   
364                    <span class="n">Bank</span><span class="p">[</span><span class="s">&#39;RefDict&#39;</span><span class="p">][</span><span class="s">&#39;Super&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span>
365            <span class="k">else</span><span class="p">:</span>
366                <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">])</span>
367                <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="s">&#39;SNT&#39;</span>
368                <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="mi">0</span>
369                <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="s">&#39;Error after reading reflections (unexpected!)&#39;</span>
370                <span class="bp">self</span><span class="o">.</span><span class="n">UpdateParameters</span><span class="p">(</span><span class="n">Type</span><span class="o">=</span><span class="s">&#39;SNT&#39;</span><span class="p">,</span><span class="n">Wave</span><span class="o">=</span><span class="bp">None</span><span class="p">)</span> <span class="c"># histogram type</span>
371            <span class="k">return</span> <span class="bp">True</span>
372        <span class="k">except</span> <span class="ne">Exception</span> <span class="k">as</span> <span class="n">detail</span><span class="p">:</span>
373            <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">+=</span> <span class="s">&#39;</span><span class="se">\n</span><span class="s">  &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">detail</span><span class="p">)</span>
374            <span class="k">print</span> <span class="s">&#39;</span><span class="se">\n\n</span><span class="s">&#39;</span><span class="o">+</span><span class="bp">self</span><span class="o">.</span><span class="n">formatName</span><span class="o">+</span><span class="s">&#39; read error: &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">detail</span><span class="p">)</span> <span class="c"># for testing</span>
375            <span class="kn">import</span> <span class="nn">traceback</span>
376            <span class="n">traceback</span><span class="o">.</span><span class="n">print_exc</span><span class="p">(</span><span class="nb">file</span><span class="o">=</span><span class="n">sys</span><span class="o">.</span><span class="n">stdout</span><span class="p">)</span>
377            <span class="k">return</span> <span class="bp">False</span>
378</div></div>
379<div class="viewcode-block" id="NT_JANA2K_ReaderClass"><a class="viewcode-back" href="../imports.html#G2sfact.NT_JANA2K_ReaderClass">[docs]</a><span class="k">class</span> <span class="nc">NT_JANA2K_ReaderClass</span><span class="p">(</span><span class="n">G2IO</span><span class="o">.</span><span class="n">ImportStructFactor</span><span class="p">):</span>
380    <span class="s">&#39;Routines to import neutron TOF F**2, sig(F**2) reflections from a JANA2000 file&#39;</span>
381    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
382        <span class="nb">super</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">__class__</span><span class="p">,</span><span class="bp">self</span><span class="p">)</span><span class="o">.</span><span class="n">__init__</span><span class="p">(</span> <span class="c"># fancy way to self-reference</span>
383            <span class="n">extensionlist</span><span class="o">=</span><span class="p">(</span><span class="s">&#39;.int&#39;</span><span class="p">,</span><span class="s">&#39;.INT&#39;</span><span class="p">),</span>
384            <span class="n">strictExtension</span><span class="o">=</span><span class="bp">False</span><span class="p">,</span>
385            <span class="n">formatName</span> <span class="o">=</span> <span class="s">u&#39;Neutron TOF JANA2000 F</span><span class="se">\u00b2</span><span class="s">&#39;</span><span class="p">,</span>
386            <span class="n">longFormatName</span> <span class="o">=</span> <span class="s">u&#39;Neutron TOF [hkl, Fo</span><span class="se">\u00b2</span><span class="s">, sig(Fo</span><span class="se">\u00b2</span><span class="s">),...] Structure factor text file&#39;</span>
387            <span class="p">)</span>
388
389<div class="viewcode-block" id="NT_JANA2K_ReaderClass.ContentsValidator"><a class="viewcode-back" href="../imports.html#G2sfact.NT_JANA2K_ReaderClass.ContentsValidator">[docs]</a>    <span class="k">def</span> <span class="nf">ContentsValidator</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">filepointer</span><span class="p">):</span>
390        <span class="s">&#39;Make sure file contains the expected columns on numbers &amp; count number of data blocks - &quot;Banks&quot;&#39;</span>
391        <span class="n">oldNo</span> <span class="o">=</span> <span class="o">-</span><span class="mi">1</span>
392        <span class="k">for</span> <span class="n">line</span><span class="p">,</span><span class="n">S</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">filepointer</span><span class="p">):</span>
393            <span class="k">if</span> <span class="ow">not</span> <span class="n">S</span><span class="p">:</span>   <span class="c">#empty line terminates read</span>
394                <span class="k">break</span>
395            <span class="k">if</span> <span class="n">S</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;#&#39;</span><span class="p">,</span><span class="s">&#39;(&#39;</span><span class="p">]:</span> <span class="k">continue</span>       <span class="c">#ignore comments &amp; fortran format line</span>
396            <span class="n">bankNo</span> <span class="o">=</span> <span class="n">S</span><span class="o">.</span><span class="n">split</span><span class="p">()[</span><span class="mi">5</span><span class="p">]</span>
397            <span class="k">if</span> <span class="n">bankNo</span> <span class="o">!=</span> <span class="n">oldNo</span><span class="p">:</span>
398                <span class="bp">self</span><span class="o">.</span><span class="n">Banks</span><span class="o">.</span><span class="n">append</span><span class="p">({</span><span class="s">&#39;RefDict&#39;</span><span class="p">:{</span><span class="s">&#39;RefList&#39;</span><span class="p">:[],}})</span>
399                <span class="n">oldNo</span> <span class="o">=</span> <span class="n">bankNo</span>
400        <span class="n">filepointer</span><span class="o">.</span><span class="n">seek</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
401        <span class="k">return</span> <span class="n">ColumnValidator</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">filepointer</span><span class="p">,</span><span class="n">nCol</span><span class="o">=</span><span class="mi">10</span><span class="p">)</span>
402</div>
403<div class="viewcode-block" id="NT_JANA2K_ReaderClass.Reader"><a class="viewcode-back" href="../imports.html#G2sfact.NT_JANA2K_ReaderClass.Reader">[docs]</a>    <span class="k">def</span> <span class="nf">Reader</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">filename</span><span class="p">,</span><span class="n">filepointer</span><span class="p">,</span> <span class="n">ParentFrame</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span> <span class="o">**</span><span class="n">unused</span><span class="p">):</span>
404        <span class="s">&#39;Read the file&#39;</span>
405        <span class="n">filepointer</span><span class="o">.</span><span class="n">seek</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
406        <span class="k">try</span><span class="p">:</span>
407            <span class="k">for</span> <span class="n">line</span><span class="p">,</span><span class="n">S</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">filepointer</span><span class="p">):</span>
408                <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="s">&#39;  Error reading line &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">line</span><span class="o">+</span><span class="mi">1</span><span class="p">)</span>
409                <span class="k">if</span> <span class="n">S</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;#&#39;</span><span class="p">,</span><span class="s">&#39;(&#39;</span><span class="p">]:</span> <span class="k">continue</span>       <span class="c">#ignore comments &amp; fortran format line</span>
410                <span class="n">data</span> <span class="o">=</span> <span class="n">S</span><span class="o">.</span><span class="n">split</span><span class="p">()</span>
411                <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">Fo</span><span class="p">,</span><span class="n">sigFo</span><span class="p">,</span><span class="n">bN</span><span class="p">,</span><span class="n">wave</span><span class="p">,</span><span class="n">x</span><span class="p">,</span><span class="n">x</span><span class="p">,</span><span class="n">tbar</span> <span class="o">=</span> <span class="n">data</span><span class="p">[:</span><span class="mi">10</span><span class="p">]</span>  <span class="c">#bN = 1..., 6 dir cos next                    </span>
412                <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span> <span class="o">=</span> <span class="p">[</span><span class="nb">int</span><span class="p">(</span><span class="n">h</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">k</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">l</span><span class="p">)]</span>
413                <span class="k">if</span> <span class="ow">not</span> <span class="nb">any</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">]):</span>
414                    <span class="k">break</span>
415                <span class="n">Fo</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">Fo</span><span class="p">)</span>
416                <span class="n">sigFo</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">sigFo</span><span class="p">)</span>
417                <span class="n">wave</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">wave</span><span class="p">)</span>
418                <span class="n">tbar</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">tbar</span><span class="p">)</span>
419                <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">Banks</span><span class="p">):</span>
420                    <span class="bp">self</span><span class="o">.</span><span class="n">Banks</span><span class="p">[</span><span class="nb">int</span><span class="p">(</span><span class="n">bN</span><span class="p">)</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="s">&#39;RefDict&#39;</span><span class="p">][</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</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="n">Fo</span><span class="p">,</span><span class="n">sigFo</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">Fo</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="n">wave</span><span class="p">,</span><span class="n">tbar</span><span class="p">])</span>
421                <span class="k">else</span><span class="p">:</span>
422                <span class="c"># h,k,l,m,dsp,Fo2,sig,Fc2,Fot2,Fct2,phase,...</span>
423                    <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</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="n">Fo</span><span class="p">,</span><span class="n">sigFo</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">Fo</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="n">wave</span><span class="p">,</span><span class="n">tbar</span><span class="p">])</span>
424            <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">Banks</span><span class="p">):</span>
425                <span class="bp">self</span><span class="o">.</span><span class="n">UpdateParameters</span><span class="p">(</span><span class="n">Type</span><span class="o">=</span><span class="s">&#39;SNT&#39;</span><span class="p">,</span><span class="n">Wave</span><span class="o">=</span><span class="bp">None</span><span class="p">)</span> <span class="c"># histogram type</span>
426                <span class="k">for</span> <span class="n">Bank</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">Banks</span><span class="p">:</span>
427                    <span class="n">Bank</span><span class="p">[</span><span class="s">&#39;RefDict&#39;</span><span class="p">][</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">Bank</span><span class="p">[</span><span class="s">&#39;RefDict&#39;</span><span class="p">][</span><span class="s">&#39;RefList&#39;</span><span class="p">])</span>
428                    <span class="n">Bank</span><span class="p">[</span><span class="s">&#39;RefDict&#39;</span><span class="p">][</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="s">&#39;SNT&#39;</span>                   
429                    <span class="n">Bank</span><span class="p">[</span><span class="s">&#39;RefDict&#39;</span><span class="p">][</span><span class="s">&#39;Super&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span>        <span class="c">#for now                    </span>
430            <span class="k">else</span><span class="p">:</span>
431                <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">])</span>
432                <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="s">&#39;SNT&#39;</span>
433                <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="mi">0</span>   <span class="c">#for now</span>
434                <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="s">&#39;Error after reading reflections (unexpected!)&#39;</span>
435                <span class="bp">self</span><span class="o">.</span><span class="n">UpdateParameters</span><span class="p">(</span><span class="n">Type</span><span class="o">=</span><span class="s">&#39;SNT&#39;</span><span class="p">,</span><span class="n">Wave</span><span class="o">=</span><span class="bp">None</span><span class="p">)</span> <span class="c"># histogram type</span>
436            <span class="k">return</span> <span class="bp">True</span>
437        <span class="k">except</span> <span class="ne">Exception</span> <span class="k">as</span> <span class="n">detail</span><span class="p">:</span>
438            <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">+=</span> <span class="s">&#39;</span><span class="se">\n</span><span class="s">  &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">detail</span><span class="p">)</span>
439            <span class="k">print</span> <span class="s">&#39;</span><span class="se">\n\n</span><span class="s">&#39;</span><span class="o">+</span><span class="bp">self</span><span class="o">.</span><span class="n">formatName</span><span class="o">+</span><span class="s">&#39; read error: &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">detail</span><span class="p">)</span> <span class="c"># for testing</span>
440            <span class="kn">import</span> <span class="nn">traceback</span>
441            <span class="n">traceback</span><span class="o">.</span><span class="n">print_exc</span><span class="p">(</span><span class="nb">file</span><span class="o">=</span><span class="n">sys</span><span class="o">.</span><span class="n">stdout</span><span class="p">)</span>
442            <span class="k">return</span> <span class="bp">False</span>
443</div></div>
444<div class="viewcode-block" id="ISIS_SXD_INT_ReaderClass"><a class="viewcode-back" href="../imports.html#G2sfact.ISIS_SXD_INT_ReaderClass">[docs]</a><span class="k">class</span> <span class="nc">ISIS_SXD_INT_ReaderClass</span><span class="p">(</span><span class="n">G2IO</span><span class="o">.</span><span class="n">ImportStructFactor</span><span class="p">):</span>
445    <span class="s">&#39;Routines to import neutron TOF F**2, sig(F**2) reflections from a ISIS int file&#39;</span>
446    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
447        <span class="nb">super</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">__class__</span><span class="p">,</span><span class="bp">self</span><span class="p">)</span><span class="o">.</span><span class="n">__init__</span><span class="p">(</span> <span class="c"># fancy way to self-reference</span>
448            <span class="n">extensionlist</span><span class="o">=</span><span class="p">(</span><span class="s">&#39;.int&#39;</span><span class="p">,</span><span class="s">&#39;.INT&#39;</span><span class="p">),</span>
449            <span class="n">strictExtension</span><span class="o">=</span><span class="bp">False</span><span class="p">,</span>
450            <span class="n">formatName</span> <span class="o">=</span> <span class="s">u&#39;Neutron SXD TOF HKL F</span><span class="se">\u00b2</span><span class="s">&#39;</span><span class="p">,</span>
451            <span class="n">longFormatName</span> <span class="o">=</span> <span class="s">u&#39;Neutron SXD TOF [hkl, Fo</span><span class="se">\u00b2</span><span class="s">, sig(Fo</span><span class="se">\u00b2</span><span class="s">),...] Structure factor text file&#39;</span>
452            <span class="p">)</span>
453
454<div class="viewcode-block" id="ISIS_SXD_INT_ReaderClass.ContentsValidator"><a class="viewcode-back" href="../imports.html#G2sfact.ISIS_SXD_INT_ReaderClass.ContentsValidator">[docs]</a>    <span class="k">def</span> <span class="nf">ContentsValidator</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">filepointer</span><span class="p">):</span>
455        <span class="s">&#39;Make sure file contains the expected columns on numbers &amp; count number of data blocks - &quot;Banks&quot;&#39;</span>
456        <span class="n">oldNo</span> <span class="o">=</span> <span class="o">-</span><span class="mi">1</span>
457        <span class="k">for</span> <span class="n">line</span><span class="p">,</span><span class="n">S</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">filepointer</span><span class="p">):</span>
458            <span class="k">if</span> <span class="ow">not</span> <span class="n">S</span><span class="p">:</span>   <span class="c">#empty line terminates read</span>
459                <span class="k">break</span>
460            <span class="k">if</span> <span class="n">S</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;#&#39;</span><span class="p">:</span> <span class="k">continue</span>       <span class="c">#ignore comments, if any</span>
461            <span class="k">if</span> <span class="n">S</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;(&#39;</span><span class="p">:</span> <span class="k">continue</span>        <span class="c">#ignore format line</span>
462            <span class="n">bankNo</span> <span class="o">=</span> <span class="n">S</span><span class="o">.</span><span class="n">split</span><span class="p">()[</span><span class="mi">5</span><span class="p">]</span>
463            <span class="k">if</span> <span class="n">bankNo</span> <span class="o">!=</span> <span class="n">oldNo</span><span class="p">:</span>
464                <span class="bp">self</span><span class="o">.</span><span class="n">Banks</span><span class="o">.</span><span class="n">append</span><span class="p">({</span><span class="s">&#39;RefDict&#39;</span><span class="p">:{</span><span class="s">&#39;RefList&#39;</span><span class="p">:[],}})</span>
465                <span class="n">oldNo</span> <span class="o">=</span> <span class="n">bankNo</span>
466        <span class="n">filepointer</span><span class="o">.</span><span class="n">seek</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
467        <span class="k">return</span> <span class="n">ColumnValidator</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">filepointer</span><span class="p">,</span><span class="n">nCol</span><span class="o">=</span><span class="mi">8</span><span class="p">)</span>
468</div>
469<div class="viewcode-block" id="ISIS_SXD_INT_ReaderClass.Reader"><a class="viewcode-back" href="../imports.html#G2sfact.ISIS_SXD_INT_ReaderClass.Reader">[docs]</a>    <span class="k">def</span> <span class="nf">Reader</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">filename</span><span class="p">,</span><span class="n">filepointer</span><span class="p">,</span> <span class="n">ParentFrame</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span> <span class="o">**</span><span class="n">unused</span><span class="p">):</span>
470        <span class="s">&#39;Read the file&#39;</span>
471        <span class="n">filepointer</span><span class="o">.</span><span class="n">seek</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
472        <span class="k">try</span><span class="p">:</span>
473            <span class="k">for</span> <span class="n">line</span><span class="p">,</span><span class="n">S</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">filepointer</span><span class="p">):</span>
474                <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="s">&#39;  Error reading line &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">line</span><span class="o">+</span><span class="mi">1</span><span class="p">)</span>
475                <span class="k">if</span> <span class="n">S</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;#&#39;</span><span class="p">:</span> <span class="k">continue</span>       <span class="c">#ignore comments, if any</span>
476                <span class="k">if</span> <span class="n">S</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;(&#39;</span><span class="p">:</span> <span class="k">continue</span>        <span class="c">#ignore the format line</span>
477                <span class="n">data</span> <span class="o">=</span> <span class="n">S</span><span class="o">.</span><span class="n">split</span><span class="p">()</span>
478                <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">Fo</span><span class="p">,</span><span class="n">sigFo</span><span class="p">,</span><span class="n">bN</span><span class="p">,</span><span class="n">wave</span><span class="p">,</span><span class="n">x</span><span class="p">,</span><span class="n">x</span><span class="p">,</span><span class="n">tbar</span> <span class="o">=</span> <span class="n">data</span><span class="p">[:</span><span class="mi">10</span><span class="p">]</span>                   
479                <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span> <span class="o">=</span> <span class="p">[</span><span class="nb">int</span><span class="p">(</span><span class="n">h</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">k</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">l</span><span class="p">)]</span>
480                <span class="k">if</span> <span class="ow">not</span> <span class="nb">any</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">]):</span>
481                    <span class="k">break</span>
482                <span class="n">Fo</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">Fo</span><span class="p">)</span>
483                <span class="n">sigFo</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">sigFo</span><span class="p">)</span>
484                <span class="n">wave</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">wave</span><span class="p">)</span>
485                <span class="n">tbar</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">tbar</span><span class="p">)</span>
486                <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">Banks</span><span class="p">):</span>
487                    <span class="bp">self</span><span class="o">.</span><span class="n">Banks</span><span class="p">[</span><span class="nb">int</span><span class="p">(</span><span class="n">bN</span><span class="p">)</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="s">&#39;RefDict&#39;</span><span class="p">][</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</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="n">Fo</span><span class="p">,</span><span class="n">sigFo</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">Fo</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="n">wave</span><span class="p">,</span><span class="n">tbar</span><span class="p">])</span>
488                <span class="k">else</span><span class="p">:</span>
489                <span class="c"># h,k,l,m,dsp,Fo2,sig,Fc2,Fot2,Fct2,phase,...</span>
490                    <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</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="n">Fo</span><span class="p">,</span><span class="n">sigFo</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">Fo</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="n">wave</span><span class="p">,</span><span class="n">tbar</span><span class="p">])</span>
491            <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">Banks</span><span class="p">):</span>
492                <span class="bp">self</span><span class="o">.</span><span class="n">UpdateParameters</span><span class="p">(</span><span class="n">Type</span><span class="o">=</span><span class="s">&#39;SNT&#39;</span><span class="p">,</span><span class="n">Wave</span><span class="o">=</span><span class="bp">None</span><span class="p">)</span> <span class="c"># histogram type</span>
493                <span class="k">for</span> <span class="n">Bank</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">Banks</span><span class="p">:</span>
494                    <span class="n">Bank</span><span class="p">[</span><span class="s">&#39;RefDict&#39;</span><span class="p">][</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">Bank</span><span class="p">[</span><span class="s">&#39;RefDict&#39;</span><span class="p">][</span><span class="s">&#39;RefList&#39;</span><span class="p">])</span>
495                    <span class="n">Bank</span><span class="p">[</span><span class="s">&#39;RefDict&#39;</span><span class="p">][</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="s">&#39;SNT&#39;</span>                   
496                    <span class="n">Bank</span><span class="p">[</span><span class="s">&#39;RefDict&#39;</span><span class="p">][</span><span class="s">&#39;Super&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span>
497            <span class="k">else</span><span class="p">:</span>
498                <span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">RefDict</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">])</span>
499                <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="s">&#39;SNT&#39;</span>
500                <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="mi">0</span>
501                <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="s">&#39;Error after reading reflections (unexpected!)&#39;</span>
502                <span class="bp">self</span><span class="o">.</span><span class="n">UpdateParameters</span><span class="p">(</span><span class="n">Type</span><span class="o">=</span><span class="s">&#39;SNT&#39;</span><span class="p">,</span><span class="n">Wave</span><span class="o">=</span><span class="bp">None</span><span class="p">)</span> <span class="c"># histogram type</span>
503            <span class="k">return</span> <span class="bp">True</span>
504        <span class="k">except</span> <span class="ne">Exception</span> <span class="k">as</span> <span class="n">detail</span><span class="p">:</span>
505            <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">+=</span> <span class="s">&#39;</span><span class="se">\n</span><span class="s">  &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">detail</span><span class="p">)</span>
506            <span class="k">print</span> <span class="s">&#39;</span><span class="se">\n\n</span><span class="s">&#39;</span><span class="o">+</span><span class="bp">self</span><span class="o">.</span><span class="n">formatName</span><span class="o">+</span><span class="s">&#39; read error: &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">detail</span><span class="p">)</span> <span class="c"># for testing</span>
507            <span class="kn">import</span> <span class="nn">traceback</span>
508            <span class="n">traceback</span><span class="o">.</span><span class="n">print_exc</span><span class="p">(</span><span class="nb">file</span><span class="o">=</span><span class="n">sys</span><span class="o">.</span><span class="n">stdout</span><span class="p">)</span>
509            <span class="k">return</span> <span class="bp">False</span>
510</pre></div></div></div>
511
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