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50  <h1>Source code for G2export_csv</h1><div class="highlight"><pre>
51<span class="c">#!/usr/bin/env python</span>
52<span class="c"># -*- coding: utf-8 -*-</span>
53<span class="c">########### SVN repository information ###################</span>
54<span class="c"># $Date: 2015-01-13 16:01:13 -0600 (Tue, 13 Jan 2015) $</span>
55<span class="c"># $Author: vondreele $</span>
56<span class="c"># $Revision: 1630 $</span>
57<span class="c"># $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/exports/G2export_csv.py $</span>
58<span class="c"># $Id: G2export_csv.py 1630 2015-01-13 22:01:13Z vondreele $</span>
59<span class="c">########### SVN repository information ###################</span>
60<span class="sd">&#39;&#39;&#39;</span>
61<span class="sd">*Module G2export_csv: Spreadsheet export*</span>
62<span class="sd">-------------------------------------------</span>
63
64<span class="sd">Code to create .csv (comma-separated variable) files for</span>
65<span class="sd">GSAS-II data export to a spreadsheet program, etc.</span>
66
67<span class="sd">&#39;&#39;&#39;</span>
68<span class="kn">import</span> <span class="nn">os.path</span>
69<span class="kn">import</span> <span class="nn">numpy</span> <span class="kn">as</span> <span class="nn">np</span>
70<span class="kn">import</span> <span class="nn">GSASIIpath</span>
71<span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">&quot;$Revision: 1630 $&quot;</span><span class="p">)</span>
72<span class="kn">import</span> <span class="nn">GSASIIIO</span> <span class="kn">as</span> <span class="nn">G2IO</span>
73<span class="kn">import</span> <span class="nn">GSASIIpy3</span> <span class="kn">as</span> <span class="nn">G2py3</span>
74<span class="kn">import</span> <span class="nn">GSASIIobj</span> <span class="kn">as</span> <span class="nn">G2obj</span>
75<span class="kn">import</span> <span class="nn">GSASIImath</span> <span class="kn">as</span> <span class="nn">G2mth</span>
76
77<div class="viewcode-block" id="WriteList"><a class="viewcode-back" href="../exports.html#G2export_csv.WriteList">[docs]</a><span class="k">def</span> <span class="nf">WriteList</span><span class="p">(</span><span class="n">obj</span><span class="p">,</span><span class="n">headerItems</span><span class="p">):</span>
78    <span class="sd">&#39;&#39;&#39;Write a CSV header</span>
79
80<span class="sd">    :param object obj: Exporter object</span>
81<span class="sd">    :param list headerItems: items to write as a header</span>
82<span class="sd">    &#39;&#39;&#39;</span>
83    <span class="n">line</span> <span class="o">=</span> <span class="s">&#39;&#39;</span>
84    <span class="k">for</span> <span class="n">lbl</span> <span class="ow">in</span> <span class="n">headerItems</span><span class="p">:</span>
85        <span class="k">if</span> <span class="n">line</span><span class="p">:</span> <span class="n">line</span> <span class="o">+=</span> <span class="s">&#39;,&#39;</span>
86        <span class="n">line</span> <span class="o">+=</span> <span class="s">&#39;&quot;&#39;</span><span class="o">+</span><span class="n">lbl</span><span class="o">+</span><span class="s">&#39;&quot;&#39;</span>
87    <span class="n">obj</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="n">line</span><span class="p">)</span>
88</div>
89<div class="viewcode-block" id="ExportPhaseCSV"><a class="viewcode-back" href="../exports.html#G2export_csv.ExportPhaseCSV">[docs]</a><span class="k">class</span> <span class="nc">ExportPhaseCSV</span><span class="p">(</span><span class="n">G2IO</span><span class="o">.</span><span class="n">ExportBaseclass</span><span class="p">):</span>
90    <span class="sd">&#39;&#39;&#39;Used to create a csv file for a phase</span>
91
92<span class="sd">    :param wx.Frame G2frame: reference to main GSAS-II frame</span>
93<span class="sd">    &#39;&#39;&#39;</span>
94    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">G2frame</span><span class="p">):</span>
95        <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 say &lt;parentclass&gt;.__init__</span>
96            <span class="n">G2frame</span><span class="o">=</span><span class="n">G2frame</span><span class="p">,</span>
97            <span class="n">formatName</span> <span class="o">=</span> <span class="s">&#39;CSV file&#39;</span><span class="p">,</span>
98            <span class="n">extension</span><span class="o">=</span><span class="s">&#39;.csv&#39;</span><span class="p">,</span>
99            <span class="n">longFormatName</span> <span class="o">=</span> <span class="s">&#39;Export phase as comma-separated (csv) file&#39;</span>
100            <span class="p">)</span>
101        <span class="bp">self</span><span class="o">.</span><span class="n">exporttype</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;phase&#39;</span><span class="p">]</span>
102        <span class="bp">self</span><span class="o">.</span><span class="n">multiple</span> <span class="o">=</span> <span class="bp">True</span> <span class="c"># allow multiple phases to be selected</span>
103
104<div class="viewcode-block" id="ExportPhaseCSV.Exporter"><a class="viewcode-back" href="../exports.html#G2export_csv.ExportPhaseCSV.Exporter">[docs]</a>    <span class="k">def</span> <span class="nf">Exporter</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="o">=</span><span class="bp">None</span><span class="p">):</span>
105        <span class="sd">&#39;&#39;&#39;Export a phase as a csv file</span>
106<span class="sd">        &#39;&#39;&#39;</span>
107        <span class="c"># the export process starts here</span>
108        <span class="bp">self</span><span class="o">.</span><span class="n">InitExport</span><span class="p">(</span><span class="n">event</span><span class="p">)</span>
109        <span class="c"># load all of the tree into a set of dicts</span>
110        <span class="bp">self</span><span class="o">.</span><span class="n">loadTree</span><span class="p">()</span>
111        <span class="c"># create a dict with refined values and their uncertainties</span>
112        <span class="bp">self</span><span class="o">.</span><span class="n">loadParmDict</span><span class="p">()</span>
113        <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">ExportSelect</span><span class="p">():</span> <span class="k">return</span> <span class="c"># set export parameters; get file name</span>
114        <span class="bp">self</span><span class="o">.</span><span class="n">OpenFile</span><span class="p">()</span>
115        <span class="c"># if more than one format is selected, put them into a single file</span>
116        <span class="k">for</span> <span class="n">phasenam</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">phasenam</span><span class="p">:</span>
117            <span class="n">phasedict</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">Phases</span><span class="p">[</span><span class="n">phasenam</span><span class="p">]</span> <span class="c"># pointer to current phase info            </span>
118            <span class="n">i</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">Phases</span><span class="p">[</span><span class="n">phasenam</span><span class="p">][</span><span class="s">&#39;pId&#39;</span><span class="p">]</span>
119            <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="s">&#39;&quot;&#39;</span><span class="o">+</span><span class="s">&quot;Phase &quot;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">phasenam</span><span class="p">)</span><span class="o">+</span><span class="s">&quot; from &quot;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">G2frame</span><span class="o">.</span><span class="n">GSASprojectfile</span><span class="p">)</span><span class="o">+</span><span class="s">&#39;&quot;&#39;</span><span class="p">)</span>
120            <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="s">&#39;</span><span class="se">\n</span><span class="s">&quot;Space group:&quot;,&quot;&#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">phasedict</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">][</span><span class="s">&#39;SGData&#39;</span><span class="p">][</span><span class="s">&#39;SpGrp&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">strip</span><span class="p">())</span><span class="o">+</span><span class="s">&#39;&quot;&#39;</span><span class="p">)</span>
121            <span class="c"># get cell parameters &amp; print them</span>
122            <span class="n">cellList</span><span class="p">,</span><span class="n">cellSig</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">GetCell</span><span class="p">(</span><span class="n">phasenam</span><span class="p">)</span>
123            <span class="n">WriteList</span><span class="p">(</span><span class="bp">self</span><span class="p">,[</span><span class="s">&#39;a&#39;</span><span class="p">,</span><span class="s">&#39;b&#39;</span><span class="p">,</span><span class="s">&#39;c&#39;</span><span class="p">,</span><span class="s">&#39;alpha&#39;</span><span class="p">,</span><span class="s">&#39;beta&#39;</span><span class="p">,</span><span class="s">&#39;gamma&#39;</span><span class="p">,</span><span class="s">&#39;volume&#39;</span><span class="p">])</span>
124
125            <span class="n">line</span> <span class="o">=</span> <span class="s">&#39;&#39;</span>
126            <span class="k">for</span> <span class="n">defsig</span><span class="p">,</span><span class="n">val</span> <span class="ow">in</span> <span class="nb">zip</span><span class="p">(</span>
127                <span class="mi">3</span><span class="o">*</span><span class="p">[</span><span class="o">-</span><span class="mf">0.00001</span><span class="p">]</span> <span class="o">+</span> <span class="mi">3</span><span class="o">*</span><span class="p">[</span><span class="o">-</span><span class="mf">0.001</span><span class="p">]</span> <span class="o">+</span> <span class="p">[</span><span class="o">-</span><span class="mf">0.01</span><span class="p">],</span> <span class="c"># sign values to use when no sigma</span>
128                <span class="n">cellList</span>
129                <span class="p">):</span>
130                <span class="n">txt</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">ValEsd</span><span class="p">(</span><span class="n">val</span><span class="p">,</span><span class="n">defsig</span><span class="p">)</span>
131                <span class="k">if</span> <span class="n">line</span><span class="p">:</span> <span class="n">line</span> <span class="o">+=</span> <span class="s">&#39;,&#39;</span>
132                <span class="n">line</span> <span class="o">+=</span> <span class="n">txt</span>
133            <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="n">line</span><span class="p">)</span>
134               
135            <span class="c"># get atoms and print separated by commas</span>
136            <span class="n">AtomsList</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">GetAtoms</span><span class="p">(</span><span class="n">phasenam</span><span class="p">)</span>
137            <span class="c"># check for aniso atoms</span>
138            <span class="n">aniso</span> <span class="o">=</span> <span class="bp">False</span>
139            <span class="k">for</span> <span class="n">lbl</span><span class="p">,</span><span class="n">typ</span><span class="p">,</span><span class="n">mult</span><span class="p">,</span><span class="n">xyz</span><span class="p">,</span><span class="n">td</span> <span class="ow">in</span> <span class="n">AtomsList</span><span class="p">:</span>
140                <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">td</span><span class="p">)</span> <span class="o">!=</span> <span class="mi">1</span><span class="p">:</span> <span class="n">aniso</span> <span class="o">=</span> <span class="bp">True</span>               
141            <span class="n">lbllist</span> <span class="o">=</span> <span class="p">[</span><span class="s">&quot;label&quot;</span><span class="p">,</span><span class="s">&quot;elem&quot;</span><span class="p">,</span><span class="s">&quot;mult&quot;</span><span class="p">,</span><span class="s">&quot;x&quot;</span><span class="p">,</span><span class="s">&quot;y&quot;</span><span class="p">,</span><span class="s">&quot;z&quot;</span><span class="p">,</span><span class="s">&quot;frac&quot;</span><span class="p">,</span><span class="s">&quot;Uiso&quot;</span><span class="p">]</span>
142            <span class="k">if</span> <span class="n">aniso</span><span class="p">:</span> <span class="n">lbllist</span> <span class="o">+=</span> <span class="p">[</span><span class="s">&#39;U11&#39;</span><span class="p">,</span><span class="s">&#39;U22&#39;</span><span class="p">,</span><span class="s">&#39;U33&#39;</span><span class="p">,</span><span class="s">&#39;U12&#39;</span><span class="p">,</span><span class="s">&#39;U13&#39;</span><span class="p">,</span><span class="s">&#39;U23&#39;</span><span class="p">]</span>
143            <span class="n">WriteList</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">lbllist</span><span class="p">)</span>
144               
145            <span class="k">for</span> <span class="n">lbl</span><span class="p">,</span><span class="n">typ</span><span class="p">,</span><span class="n">mult</span><span class="p">,</span><span class="n">xyz</span><span class="p">,</span><span class="n">td</span> <span class="ow">in</span> <span class="n">AtomsList</span><span class="p">:</span>
146                <span class="n">line</span> <span class="o">=</span> <span class="s">&#39;&quot;&#39;</span> <span class="o">+</span> <span class="n">lbl</span> <span class="o">+</span> <span class="s">&#39;&quot;,&quot;&#39;</span> <span class="o">+</span> <span class="n">typ</span> <span class="o">+</span> <span class="s">&#39;&quot;,&#39;</span> <span class="o">+</span> <span class="nb">str</span><span class="p">(</span><span class="n">mult</span><span class="p">)</span> <span class="o">+</span> <span class="s">&#39;,&#39;</span>
147                <span class="k">for</span> <span class="n">val</span><span class="p">,</span><span class="n">sig</span> <span class="ow">in</span> <span class="n">xyz</span><span class="p">:</span>
148                    <span class="n">line</span> <span class="o">+=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">ValEsd</span><span class="p">(</span><span class="n">val</span><span class="p">,</span><span class="o">-</span><span class="nb">abs</span><span class="p">(</span><span class="n">sig</span><span class="p">))</span>
149                    <span class="n">line</span> <span class="o">+=</span> <span class="s">&quot;,&quot;</span>
150                <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">td</span><span class="p">)</span> <span class="o">==</span> <span class="mi">1</span><span class="p">:</span>
151                    <span class="n">line</span> <span class="o">+=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">ValEsd</span><span class="p">(</span><span class="n">td</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="o">-</span><span class="nb">abs</span><span class="p">(</span><span class="n">td</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="mi">1</span><span class="p">]))</span>
152                <span class="k">else</span><span class="p">:</span>
153                    <span class="n">line</span> <span class="o">+=</span> <span class="s">&quot;,&quot;</span>
154                    <span class="k">for</span> <span class="n">val</span><span class="p">,</span><span class="n">sig</span> <span class="ow">in</span> <span class="n">td</span><span class="p">:</span>
155                        <span class="n">line</span> <span class="o">+=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">ValEsd</span><span class="p">(</span><span class="n">val</span><span class="p">,</span><span class="o">-</span><span class="nb">abs</span><span class="p">(</span><span class="n">sig</span><span class="p">))</span>
156                        <span class="n">line</span> <span class="o">+=</span> <span class="s">&quot;,&quot;</span>
157                <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="n">line</span><span class="p">)</span>
158            <span class="k">print</span><span class="p">(</span><span class="s">&#39;Phase &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">phasenam</span><span class="p">)</span><span class="o">+</span><span class="s">&#39; written to file &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">fullpath</span><span class="p">))</span>
159        <span class="bp">self</span><span class="o">.</span><span class="n">CloseFile</span><span class="p">()</span>
160</div></div>
161<div class="viewcode-block" id="ExportPowderCSV"><a class="viewcode-back" href="../exports.html#G2export_csv.ExportPowderCSV">[docs]</a><span class="k">class</span> <span class="nc">ExportPowderCSV</span><span class="p">(</span><span class="n">G2IO</span><span class="o">.</span><span class="n">ExportBaseclass</span><span class="p">):</span>
162    <span class="sd">&#39;&#39;&#39;Used to create a csv file for a powder data set</span>
163
164<span class="sd">    :param wx.Frame G2frame: reference to main GSAS-II frame</span>
165<span class="sd">    &#39;&#39;&#39;</span>
166    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">G2frame</span><span class="p">):</span>
167        <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 say &lt;parentclass&gt;.__init__</span>
168            <span class="n">G2frame</span><span class="o">=</span><span class="n">G2frame</span><span class="p">,</span>
169            <span class="n">formatName</span> <span class="o">=</span> <span class="s">&#39;CSV file&#39;</span><span class="p">,</span>
170            <span class="n">extension</span><span class="o">=</span><span class="s">&#39;.csv&#39;</span><span class="p">,</span>
171            <span class="n">longFormatName</span> <span class="o">=</span> <span class="s">&#39;Export powder data as comma-separated (csv) file&#39;</span>
172            <span class="p">)</span>
173        <span class="bp">self</span><span class="o">.</span><span class="n">exporttype</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;powder&#39;</span><span class="p">]</span>
174        <span class="c">#self.multiple = False # only allow one histogram to be selected</span>
175        <span class="bp">self</span><span class="o">.</span><span class="n">multiple</span> <span class="o">=</span> <span class="bp">True</span>
176
177<div class="viewcode-block" id="ExportPowderCSV.Exporter"><a class="viewcode-back" href="../exports.html#G2export_csv.ExportPowderCSV.Exporter">[docs]</a>    <span class="k">def</span> <span class="nf">Exporter</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="o">=</span><span class="bp">None</span><span class="p">):</span>
178        <span class="sd">&#39;&#39;&#39;Export a set of powder data as a csv file</span>
179<span class="sd">        &#39;&#39;&#39;</span>
180        <span class="c"># the export process starts here</span>
181        <span class="bp">self</span><span class="o">.</span><span class="n">InitExport</span><span class="p">(</span><span class="n">event</span><span class="p">)</span>
182        <span class="c"># load all of the tree into a set of dicts</span>
183        <span class="bp">self</span><span class="o">.</span><span class="n">loadTree</span><span class="p">()</span>
184        <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">ExportSelect</span><span class="p">(</span> <span class="c"># set export parameters</span>
185            <span class="n">AskFile</span><span class="o">=</span><span class="s">&#39;single&#39;</span> <span class="c"># get a file name/directory to save in</span>
186            <span class="p">):</span> <span class="k">return</span>
187        <span class="n">filenamelist</span> <span class="o">=</span> <span class="p">[]</span>
188        <span class="k">for</span> <span class="n">hist</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">histnam</span><span class="p">:</span>
189            <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">histnam</span><span class="p">)</span> <span class="o">&gt;</span> <span class="mi">1</span><span class="p">:</span>
190                <span class="c"># multiple files: create a unique name from the histogram</span>
191                <span class="n">fileroot</span> <span class="o">=</span> <span class="n">G2obj</span><span class="o">.</span><span class="n">MakeUniqueLabel</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">MakePWDRfilename</span><span class="p">(</span><span class="n">hist</span><span class="p">),</span><span class="n">filenamelist</span><span class="p">)</span>
192                <span class="c"># create an instrument parameter file</span>
193                <span class="bp">self</span><span class="o">.</span><span class="n">filename</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">dirname</span><span class="p">,</span><span class="n">fileroot</span> <span class="o">+</span> <span class="bp">self</span><span class="o">.</span><span class="n">extension</span><span class="p">)</span>
194            <span class="bp">self</span><span class="o">.</span><span class="n">OpenFile</span><span class="p">()</span>
195            <span class="n">histblk</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">Histograms</span><span class="p">[</span><span class="n">hist</span><span class="p">]</span>
196            <span class="n">WriteList</span><span class="p">(</span><span class="bp">self</span><span class="p">,(</span><span class="s">&quot;x&quot;</span><span class="p">,</span><span class="s">&quot;y_obs&quot;</span><span class="p">,</span><span class="s">&quot;weight&quot;</span><span class="p">,</span><span class="s">&quot;y_calc&quot;</span><span class="p">,</span><span class="s">&quot;y_bkg&quot;</span><span class="p">))</span>
197            <span class="n">digitList</span> <span class="o">=</span> <span class="mi">2</span><span class="o">*</span><span class="p">((</span><span class="mi">13</span><span class="p">,</span><span class="mi">3</span><span class="p">),)</span> <span class="o">+</span> <span class="p">((</span><span class="mi">13</span><span class="p">,</span><span class="mi">5</span><span class="p">),)</span> <span class="o">+</span> <span class="mi">2</span><span class="o">*</span><span class="p">((</span><span class="mi">13</span><span class="p">,</span><span class="mi">3</span><span class="p">),)</span>
198            <span class="k">for</span> <span class="n">vallist</span> <span class="ow">in</span> <span class="nb">zip</span><span class="p">(</span><span class="n">histblk</span><span class="p">[</span><span class="s">&#39;Data&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span>
199                           <span class="n">histblk</span><span class="p">[</span><span class="s">&#39;Data&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">],</span>
200                           <span class="n">histblk</span><span class="p">[</span><span class="s">&#39;Data&#39;</span><span class="p">][</span><span class="mi">2</span><span class="p">],</span>
201                           <span class="n">histblk</span><span class="p">[</span><span class="s">&#39;Data&#39;</span><span class="p">][</span><span class="mi">3</span><span class="p">],</span>
202                           <span class="n">histblk</span><span class="p">[</span><span class="s">&#39;Data&#39;</span><span class="p">][</span><span class="mi">4</span><span class="p">],</span>
203                           <span class="c">#histblk[&#39;Data&#39;][5],</span>
204                           <span class="p">):</span>
205                <span class="n">line</span> <span class="o">=</span> <span class="s">&quot;&quot;</span>
206                <span class="k">for</span> <span class="n">val</span><span class="p">,</span><span class="n">digits</span> <span class="ow">in</span> <span class="nb">zip</span><span class="p">(</span><span class="n">vallist</span><span class="p">,</span><span class="n">digitList</span><span class="p">):</span>
207                    <span class="k">if</span> <span class="n">line</span><span class="p">:</span> <span class="n">line</span> <span class="o">+=</span> <span class="s">&#39;,&#39;</span>
208                    <span class="n">line</span> <span class="o">+=</span> <span class="n">G2py3</span><span class="o">.</span><span class="n">FormatValue</span><span class="p">(</span><span class="n">val</span><span class="p">,</span><span class="n">digits</span><span class="p">)</span>
209                <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="n">line</span><span class="p">)</span>
210            <span class="bp">self</span><span class="o">.</span><span class="n">CloseFile</span><span class="p">()</span>
211            <span class="k">print</span><span class="p">(</span><span class="s">&#39;Histogram &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">hist</span><span class="p">)</span><span class="o">+</span><span class="s">&#39; written to file &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">fullpath</span><span class="p">))</span>
212</div></div>
213<div class="viewcode-block" id="ExportMultiPowderCSV"><a class="viewcode-back" href="../exports.html#G2export_csv.ExportMultiPowderCSV">[docs]</a><span class="k">class</span> <span class="nc">ExportMultiPowderCSV</span><span class="p">(</span><span class="n">G2IO</span><span class="o">.</span><span class="n">ExportBaseclass</span><span class="p">):</span>
214    <span class="sd">&#39;&#39;&#39;Used to create a csv file for a stack of powder data sets suitable for display </span>
215<span class="sd">    purposes only; no y-calc or weights are exported only x &amp; y-obs</span>
216<span class="sd">    :param wx.Frame G2frame: reference to main GSAS-II frame</span>
217<span class="sd">    &#39;&#39;&#39;</span>
218    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">G2frame</span><span class="p">):</span>
219        <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 say &lt;parentclass&gt;.__init__</span>
220            <span class="n">G2frame</span><span class="o">=</span><span class="n">G2frame</span><span class="p">,</span>
221            <span class="n">formatName</span> <span class="o">=</span> <span class="s">&#39;stacked CSV file&#39;</span><span class="p">,</span>
222            <span class="n">extension</span><span class="o">=</span><span class="s">&#39;.csv&#39;</span><span class="p">,</span>
223            <span class="n">longFormatName</span> <span class="o">=</span> <span class="s">&#39;Export powder data sets as a (csv) file - x,y-o1,y-o2,... only&#39;</span>
224            <span class="p">)</span>
225        <span class="bp">self</span><span class="o">.</span><span class="n">exporttype</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;powder&#39;</span><span class="p">]</span>
226        <span class="c">#self.multiple = False # only allow one histogram to be selected</span>
227        <span class="bp">self</span><span class="o">.</span><span class="n">multiple</span> <span class="o">=</span> <span class="bp">True</span>
228
229<div class="viewcode-block" id="ExportMultiPowderCSV.Exporter"><a class="viewcode-back" href="../exports.html#G2export_csv.ExportMultiPowderCSV.Exporter">[docs]</a>    <span class="k">def</span> <span class="nf">Exporter</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="o">=</span><span class="bp">None</span><span class="p">):</span>
230        <span class="sd">&#39;&#39;&#39;Export a set of powder data as a csv file</span>
231<span class="sd">        &#39;&#39;&#39;</span>
232        <span class="c"># the export process starts here</span>
233        <span class="bp">self</span><span class="o">.</span><span class="n">InitExport</span><span class="p">(</span><span class="n">event</span><span class="p">)</span>
234        <span class="c"># load all of the tree into a set of dicts</span>
235        <span class="bp">self</span><span class="o">.</span><span class="n">loadTree</span><span class="p">()</span>
236        <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">ExportSelect</span><span class="p">(</span> <span class="c"># set export parameters</span>
237            <span class="n">AskFile</span><span class="o">=</span><span class="s">&#39;single&#39;</span> <span class="c"># get a file name/directory to save in</span>
238            <span class="p">):</span> <span class="k">return</span>
239        <span class="n">filenamelist</span> <span class="o">=</span> <span class="p">[]</span>
240        <span class="n">csvData</span> <span class="o">=</span> <span class="p">[]</span>
241        <span class="n">headList</span> <span class="o">=</span> <span class="p">[</span><span class="s">&quot;x&quot;</span><span class="p">,]</span>
242        <span class="n">digitList</span> <span class="o">=</span> <span class="p">[]</span>
243        <span class="n">fileroot</span> <span class="o">=</span> <span class="n">G2obj</span><span class="o">.</span><span class="n">MakeUniqueLabel</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">MakePWDRfilename</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">histnam</span><span class="p">[</span><span class="mi">0</span><span class="p">]),</span><span class="n">filenamelist</span><span class="p">)</span>
244        <span class="c"># create an instrument parameter file</span>
245        <span class="bp">self</span><span class="o">.</span><span class="n">filename</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">dirname</span><span class="p">,</span><span class="n">fileroot</span> <span class="o">+</span> <span class="bp">self</span><span class="o">.</span><span class="n">extension</span><span class="p">)</span>
246        <span class="k">for</span> <span class="n">ihst</span><span class="p">,</span><span class="n">hist</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">histnam</span><span class="p">):</span>
247            <span class="n">histblk</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">Histograms</span><span class="p">[</span><span class="n">hist</span><span class="p">]</span>
248            <span class="n">headList</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="s">&#39;y_obs_&#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">ihst</span><span class="p">))</span>
249            <span class="k">if</span> <span class="ow">not</span> <span class="n">ihst</span><span class="p">:</span>
250                <span class="n">digitList</span> <span class="o">=</span> <span class="p">[(</span><span class="mi">13</span><span class="p">,</span><span class="mi">3</span><span class="p">),]</span>
251                <span class="n">csvData</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">histblk</span><span class="p">[</span><span class="s">&#39;Data&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">])</span>
252            <span class="n">digitList</span> <span class="o">+=</span> <span class="p">[(</span><span class="mi">13</span><span class="p">,</span><span class="mi">3</span><span class="p">),]</span>
253            <span class="n">csvData</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">histblk</span><span class="p">[</span><span class="s">&#39;Data&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">])</span>
254            <span class="k">print</span><span class="p">(</span><span class="s">&#39;Histogram &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">hist</span><span class="p">)</span><span class="o">+</span><span class="s">&#39; written to file &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">fullpath</span><span class="p">))</span>
255        <span class="bp">self</span><span class="o">.</span><span class="n">OpenFile</span><span class="p">()</span>
256        <span class="n">WriteList</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">headList</span><span class="p">)</span>
257        <span class="k">for</span> <span class="n">vallist</span> <span class="ow">in</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">csvData</span><span class="p">)</span><span class="o">.</span><span class="n">T</span><span class="p">:</span>
258            <span class="n">line</span> <span class="o">=</span> <span class="s">&quot;&quot;</span>
259            <span class="k">for</span> <span class="n">val</span><span class="p">,</span><span class="n">digits</span> <span class="ow">in</span> <span class="nb">zip</span><span class="p">(</span><span class="n">vallist</span><span class="p">,</span><span class="n">digitList</span><span class="p">):</span>
260                <span class="k">if</span> <span class="n">line</span><span class="p">:</span> <span class="n">line</span> <span class="o">+=</span> <span class="s">&#39;,&#39;</span>
261                <span class="n">line</span> <span class="o">+=</span> <span class="n">G2py3</span><span class="o">.</span><span class="n">FormatValue</span><span class="p">(</span><span class="n">val</span><span class="p">,</span><span class="n">digits</span><span class="p">)</span>
262            <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="n">line</span><span class="p">)</span>
263        <span class="bp">self</span><span class="o">.</span><span class="n">CloseFile</span><span class="p">()</span>
264</div></div>
265<div class="viewcode-block" id="ExportPowderReflCSV"><a class="viewcode-back" href="../exports.html#G2export_csv.ExportPowderReflCSV">[docs]</a><span class="k">class</span> <span class="nc">ExportPowderReflCSV</span><span class="p">(</span><span class="n">G2IO</span><span class="o">.</span><span class="n">ExportBaseclass</span><span class="p">):</span>
266    <span class="sd">&#39;&#39;&#39;Used to create a csv file of reflections from a powder data set</span>
267
268<span class="sd">    :param wx.Frame G2frame: reference to main GSAS-II frame</span>
269<span class="sd">    &#39;&#39;&#39;</span>
270    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">G2frame</span><span class="p">):</span>
271        <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 say &lt;parentclass&gt;.__init__</span>
272            <span class="n">G2frame</span><span class="o">=</span><span class="n">G2frame</span><span class="p">,</span>
273            <span class="n">formatName</span> <span class="o">=</span> <span class="s">&#39;reflection list as CSV&#39;</span><span class="p">,</span>
274            <span class="n">extension</span><span class="o">=</span><span class="s">&#39;.csv&#39;</span><span class="p">,</span>
275            <span class="n">longFormatName</span> <span class="o">=</span> <span class="s">&#39;Export powder reflection list as a comma-separated (csv) file&#39;</span>
276            <span class="p">)</span>
277        <span class="bp">self</span><span class="o">.</span><span class="n">exporttype</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;powder&#39;</span><span class="p">]</span>
278        <span class="bp">self</span><span class="o">.</span><span class="n">multiple</span> <span class="o">=</span> <span class="bp">False</span> <span class="c"># only allow one histogram to be selected</span>
279
280<div class="viewcode-block" id="ExportPowderReflCSV.Exporter"><a class="viewcode-back" href="../exports.html#G2export_csv.ExportPowderReflCSV.Exporter">[docs]</a>    <span class="k">def</span> <span class="nf">Exporter</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="o">=</span><span class="bp">None</span><span class="p">):</span>
281        <span class="sd">&#39;&#39;&#39;Export a set of powder reflections as a csv file</span>
282<span class="sd">        &#39;&#39;&#39;</span>
283        <span class="bp">self</span><span class="o">.</span><span class="n">InitExport</span><span class="p">(</span><span class="n">event</span><span class="p">)</span>
284        <span class="c"># load all of the tree into a set of dicts</span>
285        <span class="bp">self</span><span class="o">.</span><span class="n">loadTree</span><span class="p">()</span>
286        <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">ExportSelect</span><span class="p">():</span> <span class="k">return</span>  <span class="c"># set export parameters, get file name</span>
287        <span class="bp">self</span><span class="o">.</span><span class="n">OpenFile</span><span class="p">()</span>
288        <span class="n">hist</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">histnam</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="c"># there should only be one histogram, in any case take the 1st</span>
289        <span class="n">histblk</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">Histograms</span><span class="p">[</span><span class="n">hist</span><span class="p">]</span>
290        <span class="c"># table of phases</span>
291        <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="s">&#39;&quot;Phase name&quot;,&quot;phase #&quot;&#39;</span><span class="p">)</span>
292        <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">phasenam</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="nb">sorted</span><span class="p">(</span><span class="n">histblk</span><span class="p">[</span><span class="s">&#39;Reflection Lists&#39;</span><span class="p">])):</span>
293            <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="s">&#39;&quot;&#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">phasenam</span><span class="p">)</span><span class="o">+</span><span class="s">&#39;&quot;,&#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">i</span><span class="p">))</span>
294        <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="s">&#39;&#39;</span><span class="p">)</span>
295        <span class="c"># note addition of a phase # flag at end (i)</span>
296        <span class="n">WriteList</span><span class="p">(</span><span class="bp">self</span><span class="p">,(</span><span class="s">&quot;h&quot;</span><span class="p">,</span><span class="s">&quot;k&quot;</span><span class="p">,</span><span class="s">&quot;l&quot;</span><span class="p">,</span><span class="s">&quot;2-theta&quot;</span><span class="p">,</span><span class="s">&quot;F_obs&quot;</span><span class="p">,</span><span class="s">&quot;F_calc&quot;</span><span class="p">,</span><span class="s">&quot;phase&quot;</span><span class="p">,</span><span class="s">&quot;mult&quot;</span><span class="p">,</span><span class="s">&quot;phase #&quot;</span><span class="p">))</span>
297        <span class="n">fmt</span> <span class="o">=</span> <span class="s">&quot;{:.0f},{:.0f},{:.0f},{:.3f},{:.3f},{:.3f},{:.2f},{:.0f},{:d}&quot;</span>
298        <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">phasenam</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="nb">sorted</span><span class="p">(</span><span class="n">histblk</span><span class="p">[</span><span class="s">&#39;Reflection Lists&#39;</span><span class="p">])):</span>
299            <span class="k">for</span> <span class="p">(</span>
300                <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">mult</span><span class="p">,</span><span class="n">dsp</span><span class="p">,</span><span class="n">pos</span><span class="p">,</span><span class="n">sig</span><span class="p">,</span><span class="n">gam</span><span class="p">,</span><span class="n">Fobs</span><span class="p">,</span><span class="n">Fcalc</span><span class="p">,</span><span class="n">phase</span><span class="p">,</span><span class="n">Icorr</span>
301                <span class="p">)</span> <span class="ow">in</span> <span class="n">histblk</span><span class="p">[</span><span class="s">&#39;Reflection Lists&#39;</span><span class="p">][</span><span class="n">phasenam</span><span class="p">][</span><span class="s">&#39;RefList&#39;</span><span class="p">]:</span>
302                <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="n">fmt</span><span class="o">.</span><span class="n">format</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">pos</span><span class="p">,</span><span class="n">Fobs</span><span class="p">,</span><span class="n">Fcalc</span><span class="p">,</span><span class="n">phase</span><span class="p">,</span><span class="n">mult</span><span class="p">,</span><span class="n">i</span><span class="p">))</span>
303        <span class="bp">self</span><span class="o">.</span><span class="n">CloseFile</span><span class="p">()</span>
304        <span class="k">print</span><span class="p">(</span><span class="nb">str</span><span class="p">(</span><span class="n">hist</span><span class="p">)</span><span class="o">+</span><span class="s">&#39;reflections written to file &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">fullpath</span><span class="p">))</span>
305</div></div>
306<div class="viewcode-block" id="ExportSingleCSV"><a class="viewcode-back" href="../exports.html#G2export_csv.ExportSingleCSV">[docs]</a><span class="k">class</span> <span class="nc">ExportSingleCSV</span><span class="p">(</span><span class="n">G2IO</span><span class="o">.</span><span class="n">ExportBaseclass</span><span class="p">):</span>
307    <span class="sd">&#39;&#39;&#39;Used to create a csv file with single crystal reflection data</span>
308
309<span class="sd">    :param wx.Frame G2frame: reference to main GSAS-II frame</span>
310<span class="sd">    &#39;&#39;&#39;</span>
311    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">G2frame</span><span class="p">):</span>
312        <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 say &lt;parentclass&gt;.__init__</span>
313            <span class="n">G2frame</span><span class="o">=</span><span class="n">G2frame</span><span class="p">,</span>
314            <span class="n">formatName</span> <span class="o">=</span> <span class="s">&#39;CSV file&#39;</span><span class="p">,</span>
315            <span class="n">extension</span><span class="o">=</span><span class="s">&#39;.csv&#39;</span><span class="p">,</span>
316            <span class="n">longFormatName</span> <span class="o">=</span> <span class="s">&#39;Export reflection list as a comma-separated (csv) file&#39;</span>
317            <span class="p">)</span>
318        <span class="bp">self</span><span class="o">.</span><span class="n">exporttype</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;single&#39;</span><span class="p">]</span>
319        <span class="bp">self</span><span class="o">.</span><span class="n">multiple</span> <span class="o">=</span> <span class="bp">False</span> <span class="c"># only allow one histogram to be selected</span>
320
321<div class="viewcode-block" id="ExportSingleCSV.Exporter"><a class="viewcode-back" href="../exports.html#G2export_csv.ExportSingleCSV.Exporter">[docs]</a>    <span class="k">def</span> <span class="nf">Exporter</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="o">=</span><span class="bp">None</span><span class="p">):</span>
322        <span class="sd">&#39;&#39;&#39;Export a set of single crystal data as a csv file</span>
323<span class="sd">        &#39;&#39;&#39;</span>
324        <span class="c"># the export process starts here</span>
325        <span class="bp">self</span><span class="o">.</span><span class="n">InitExport</span><span class="p">(</span><span class="n">event</span><span class="p">)</span>
326        <span class="c"># load all of the tree into a set of dicts</span>
327        <span class="bp">self</span><span class="o">.</span><span class="n">loadTree</span><span class="p">()</span>
328        <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">ExportSelect</span><span class="p">():</span> <span class="k">return</span>  <span class="c"># set export parameters, get file name</span>
329        <span class="bp">self</span><span class="o">.</span><span class="n">OpenFile</span><span class="p">()</span>
330        <span class="n">hist</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">histnam</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="c"># there should only be one histogram, in any case take the 1st</span>
331        <span class="n">histblk</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">Histograms</span><span class="p">[</span><span class="n">hist</span><span class="p">]</span>
332        <span class="n">WriteList</span><span class="p">(</span><span class="bp">self</span><span class="p">,(</span><span class="s">&quot;h&quot;</span><span class="p">,</span><span class="s">&quot;k&quot;</span><span class="p">,</span><span class="s">&quot;l&quot;</span><span class="p">,</span><span class="s">&quot;d-space&quot;</span><span class="p">,</span><span class="s">&quot;F_obs&quot;</span><span class="p">,</span><span class="s">&quot;sig(Fobs)&quot;</span><span class="p">,</span><span class="s">&quot;F_calc&quot;</span><span class="p">,</span><span class="s">&quot;phase&quot;</span><span class="p">,</span><span class="s">&quot;mult&quot;</span><span class="p">))</span>
333        <span class="n">fmt</span> <span class="o">=</span> <span class="s">&quot;{:.0f},{:.0f},{:.0f},{:.3f},{:.2f},{:.4f},{:.2f},{:.2f},{:.0f}&quot;</span>
334        <span class="k">for</span> <span class="p">(</span>
335            <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">mult</span><span class="p">,</span><span class="n">dsp</span><span class="p">,</span><span class="n">Fobs</span><span class="p">,</span><span class="n">sigFobs</span><span class="p">,</span><span class="n">Fcalc</span><span class="p">,</span><span class="n">FobsT</span><span class="p">,</span><span class="n">FcalcT</span><span class="p">,</span><span class="n">phase</span><span class="p">,</span><span class="n">Icorr</span>
336            <span class="p">)</span> <span class="ow">in</span> <span class="n">histblk</span><span class="p">[</span><span class="s">&#39;Data&#39;</span><span class="p">][</span><span class="s">&#39;RefList&#39;</span><span class="p">]:</span>
337            <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="n">fmt</span><span class="o">.</span><span class="n">format</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">dsp</span><span class="p">,</span><span class="n">Fobs</span><span class="p">,</span><span class="n">sigFobs</span><span class="p">,</span><span class="n">Fcalc</span><span class="p">,</span><span class="n">phase</span><span class="p">,</span><span class="n">mult</span><span class="p">))</span>
338        <span class="bp">self</span><span class="o">.</span><span class="n">CloseFile</span><span class="p">()</span>
339        <span class="k">print</span><span class="p">(</span><span class="nb">str</span><span class="p">(</span><span class="n">hist</span><span class="p">)</span><span class="o">+</span><span class="s">&#39; written to file &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">fullname</span><span class="p">))</span>                       
340</div></div>
341<div class="viewcode-block" id="ExportStrainCSV"><a class="viewcode-back" href="../exports.html#G2export_csv.ExportStrainCSV">[docs]</a><span class="k">class</span> <span class="nc">ExportStrainCSV</span><span class="p">(</span><span class="n">G2IO</span><span class="o">.</span><span class="n">ExportBaseclass</span><span class="p">):</span>
342    <span class="sd">&#39;&#39;&#39;Used to create a csv file with single crystal reflection data</span>
343
344<span class="sd">    :param wx.Frame G2frame: reference to main GSAS-II frame</span>
345<span class="sd">    &#39;&#39;&#39;</span>
346    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">G2frame</span><span class="p">):</span>
347        <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 say &lt;parentclass&gt;.__init__</span>
348            <span class="n">G2frame</span><span class="o">=</span><span class="n">G2frame</span><span class="p">,</span>
349            <span class="n">formatName</span> <span class="o">=</span> <span class="s">&#39;Strain CSV file&#39;</span><span class="p">,</span>
350            <span class="n">extension</span><span class="o">=</span><span class="s">&#39;.csv&#39;</span><span class="p">,</span>
351            <span class="n">longFormatName</span> <span class="o">=</span> <span class="s">&#39;Export strain results as a comma-separated (csv) file&#39;</span>
352            <span class="p">)</span>
353        <span class="bp">self</span><span class="o">.</span><span class="n">exporttype</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;image&#39;</span><span class="p">]</span>
354        <span class="bp">self</span><span class="o">.</span><span class="n">multiple</span> <span class="o">=</span> <span class="bp">False</span> <span class="c"># only allow one histogram to be selected</span>
355
356<div class="viewcode-block" id="ExportStrainCSV.Exporter"><a class="viewcode-back" href="../exports.html#G2export_csv.ExportStrainCSV.Exporter">[docs]</a>    <span class="k">def</span> <span class="nf">Exporter</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="o">=</span><span class="bp">None</span><span class="p">):</span>
357        <span class="sd">&#39;&#39;&#39;Export a set of single crystal data as a csv file</span>
358<span class="sd">        &#39;&#39;&#39;</span>
359        <span class="c"># the export process starts here</span>
360        <span class="bp">self</span><span class="o">.</span><span class="n">InitExport</span><span class="p">(</span><span class="n">event</span><span class="p">)</span>
361        <span class="c"># load all of the tree into a set of dicts</span>
362        <span class="bp">self</span><span class="o">.</span><span class="n">loadTree</span><span class="p">()</span>
363        <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">ExportSelect</span><span class="p">():</span> <span class="k">return</span>  <span class="c"># set export parameters, get file name</span>
364        <span class="bp">self</span><span class="o">.</span><span class="n">OpenFile</span><span class="p">()</span>
365        <span class="n">hist</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">histnam</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="c"># there should only be one histogram, in any case take the 1st</span>
366        <span class="n">histblk</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">Histograms</span><span class="p">[</span><span class="n">hist</span><span class="p">]</span>
367        <span class="n">StrSta</span> <span class="o">=</span> <span class="n">histblk</span><span class="p">[</span><span class="s">&#39;Stress/Strain&#39;</span><span class="p">]</span>
368        <span class="n">WriteList</span><span class="p">(</span><span class="bp">self</span><span class="p">,(</span><span class="s">&quot;Dset&quot;</span><span class="p">,</span><span class="s">&quot;Dcalc&quot;</span><span class="p">,</span><span class="s">&quot;e11&quot;</span><span class="p">,</span><span class="s">&quot;sig(e11)&quot;</span><span class="p">,</span><span class="s">&quot;e12&quot;</span><span class="p">,</span><span class="s">&quot;sig(e12)&quot;</span><span class="p">,</span><span class="s">&quot;e22&quot;</span><span class="p">,</span><span class="s">&quot;sig(e22)&quot;</span><span class="p">))</span>
369        <span class="n">fmt</span> <span class="o">=</span> <span class="mi">2</span><span class="o">*</span><span class="s">&quot;{:.5f},&quot;</span><span class="o">+</span><span class="mi">6</span><span class="o">*</span><span class="s">&quot;{:.0f},&quot;</span>
370        <span class="n">fmt1</span> <span class="o">=</span> <span class="s">&quot;{:.5f}&quot;</span>
371        <span class="n">fmt2</span> <span class="o">=</span> <span class="s">&quot;{:.2f},{:.5f},{:.5f}&quot;</span>
372        <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">StrSta</span><span class="p">[</span><span class="s">&#39;d-zero&#39;</span><span class="p">]:</span>
373            <span class="n">Emat</span> <span class="o">=</span> <span class="n">item</span><span class="p">[</span><span class="s">&#39;Emat&#39;</span><span class="p">]</span>
374            <span class="n">Esig</span> <span class="o">=</span> <span class="n">item</span><span class="p">[</span><span class="s">&#39;Esig&#39;</span><span class="p">]</span>
375            <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="n">fmt</span><span class="o">.</span><span class="n">format</span><span class="p">(</span><span class="n">item</span><span class="p">[</span><span class="s">&#39;Dset&#39;</span><span class="p">],</span><span class="n">item</span><span class="p">[</span><span class="s">&#39;Dcalc&#39;</span><span class="p">],</span><span class="n">Emat</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">Esig</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">Emat</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">Esig</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">Emat</span><span class="p">[</span><span class="mi">2</span><span class="p">],</span><span class="n">Esig</span><span class="p">[</span><span class="mi">2</span><span class="p">]))</span>
376        <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">StrSta</span><span class="p">[</span><span class="s">&#39;d-zero&#39;</span><span class="p">]:</span>
377            <span class="n">WriteList</span><span class="p">(</span><span class="bp">self</span><span class="p">,(</span><span class="s">&quot;Azm&quot;</span><span class="p">,</span><span class="s">&quot;dobs&quot;</span><span class="p">,</span><span class="s">&quot;dcalc&quot;</span><span class="p">,</span><span class="s">&quot;Dset=&quot;</span><span class="o">+</span><span class="n">fmt1</span><span class="o">.</span><span class="n">format</span><span class="p">(</span><span class="n">item</span><span class="p">[</span><span class="s">&#39;Dset&#39;</span><span class="p">])))</span>
378            <span class="n">ring</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">vstack</span><span class="p">((</span><span class="n">item</span><span class="p">[</span><span class="s">&#39;ImtaObs&#39;</span><span class="p">],</span><span class="n">item</span><span class="p">[</span><span class="s">&#39;ImtaCalc&#39;</span><span class="p">]))</span>
379            <span class="k">for</span> <span class="n">dat</span> <span class="ow">in</span> <span class="n">ring</span><span class="o">.</span><span class="n">T</span><span class="p">:</span>
380                <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="n">fmt2</span><span class="o">.</span><span class="n">format</span><span class="p">(</span><span class="n">dat</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">dat</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">dat</span><span class="p">[</span><span class="mi">2</span><span class="p">]))</span>           
381        <span class="bp">self</span><span class="o">.</span><span class="n">CloseFile</span><span class="p">()</span>
382        <span class="k">print</span><span class="p">(</span><span class="nb">str</span><span class="p">(</span><span class="n">hist</span><span class="p">)</span><span class="o">+</span><span class="s">&#39; written to file &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">fullpath</span><span class="p">))</span></div></div>
383</pre></div>
384
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