Changeset 1298 for trunk/sphinxdocs/build/html/_modules/G2export_map.html
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- Apr 23, 2014 5:11:13 PM (11 years ago)
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TabularUnified trunk/sphinxdocs/build/html/_modules/G2export_map.html ¶
r1168 r1298 54 54 <span class="c"># -*- coding: utf-8 -*-</span> 55 55 <span class="c">########### SVN repository information ###################</span> 56 <span class="c"># $Date: 201 3-10-25 14:24:22 -0500 (Fri, 25 Oct 2013) $</span>56 <span class="c"># $Date: 2014-03-24 17:22:41 -0500 (Mon, 24 Mar 2014) $</span> 57 57 <span class="c"># $Author: toby $</span> 58 <span class="c"># $Revision: 1 123$</span>58 <span class="c"># $Revision: 1261 $</span> 59 59 <span class="c"># $URL: https://subversion.xor.aps.anl.gov/pyGSAS/trunk/exports/G2export_map.py $</span> 60 <span class="c"># $Id: G2export_map.py 1 123 2013-10-25 19:24:22Z toby $</span>60 <span class="c"># $Id: G2export_map.py 1261 2014-03-24 22:22:41Z toby $</span> 61 61 <span class="c">########### SVN repository information ###################</span> 62 62 <span class="sd">'''</span> … … 73 73 <span class="kn">import</span> <span class="nn">GSASIIpath</span> 74 74 <span class="kn">import</span> <span class="nn">numpy</span> <span class="kn">as</span> <span class="nn">np</span> 75 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 1 123$"</span><span class="p">)</span>75 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 1261 $"</span><span class="p">)</span> 76 76 <span class="kn">import</span> <span class="nn">GSASIIIO</span> <span class="kn">as</span> <span class="nn">G2IO</span> 77 77 <span class="c">#import GSASIIgrid as G2gd</span> … … 105 105 <span class="c"># load all of the tree into a set of dicts</span> 106 106 <span class="bp">self</span><span class="o">.</span><span class="n">loadTree</span><span class="p">()</span> 107 <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> 108 <span class="n">AskFile</span><span class="o">=</span><span class="bp">True</span> <span class="c"># prompt the user for a file name</span> 109 <span class="p">):</span> <span class="k">return</span> 107 <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> 108 <span class="n">filename</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">filename</span> 110 109 <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> 111 110 <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> 112 111 <span class="n">rho</span> <span class="o">=</span> <span class="n">phasedict</span><span class="p">[</span><span class="s">'General'</span><span class="p">][</span><span class="s">'Map'</span><span class="p">]</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">'rho'</span><span class="p">,[])</span> 113 112 <span class="k">if</span> <span class="ow">not</span> <span class="nb">len</span><span class="p">(</span><span class="n">rho</span><span class="p">):</span> 114 <span class="k">return</span> 115 <span class="k">print</span> <span class="bp">self</span><span class="o">.</span><span class="n">filename</span> 116 <span class="bp">self</span><span class="o">.</span><span class="n">OpenFile</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">filename</span><span class="p">)</span> 113 <span class="k">print</span> <span class="s">"There is no map for phase "</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">phasenam</span><span class="p">)</span> 114 <span class="k">continue</span> 115 <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">phasenam</span><span class="p">)</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span> <span class="c"># if more than one filename is written, add a phase # -- not in use yet</span> 116 <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">'pId'</span><span class="p">]</span> 117 <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">splitext</span><span class="p">(</span><span class="n">filename</span><span class="p">)[</span><span class="mi">1</span><span class="p">]</span> <span class="o">+</span> <span class="s">"_"</span> <span class="o">+</span> <span class="n">mapData</span><span class="p">[</span><span class="s">'MapType'</span><span class="p">]</span> <span class="o">+</span> <span class="nb">str</span><span class="p">(</span><span class="n">i</span><span class="p">)</span> <span class="o">+</span> <span class="bp">self</span><span class="o">.</span><span class="n">extension</span> 118 <span class="bp">self</span><span class="o">.</span><span class="n">OpenFile</span><span class="p">()</span> 117 119 <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="s">"Map of Phase "</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">" from "</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> 118 120 <span class="c"># get cell parameters & print them</span> … … 126 128 <span class="k">for</span> <span class="n">k</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nz</span><span class="p">):</span> 127 129 <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="nb">str</span><span class="p">(</span><span class="n">rho</span><span class="p">[</span><span class="n">i</span><span class="p">,</span><span class="n">j</span><span class="p">,</span><span class="n">k</span><span class="p">]))</span> 128 <span class="k">print</span><span class="p">(</span><span class="s">'map from Phase '</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">' written to file '</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">filename</span><span class="p">))</span>129 130 <span class="bp">self</span><span class="o">.</span><span class="n">CloseFile</span><span class="p">()</span> 130 <span class="k"> return</span>131 <span class="k">print</span><span class="p">(</span><span class="s">'map from Phase '</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">' written to file '</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> 131 132 </div></div> 132 133 <div class="viewcode-block" id="ExportMapCCP4"><a class="viewcode-back" href="../exports.html#G2export_map.ExportMapCCP4">[docs]</a><span class="k">class</span> <span class="nc">ExportMapCCP4</span><span class="p">(</span><span class="n">G2IO</span><span class="o">.</span><span class="n">ExportBaseclass</span><span class="p">):</span> … … 146 147 147 148 <span class="c"># Tools for file writing. </span> 148 <div class="viewcode-block" id="ExportMapCCP4.OpenFile"><a class="viewcode-back" href="../exports.html#G2export_map.ExportMapCCP4.OpenFile">[docs]</a> <span class="k">def</span> <span class="nf">OpenFile</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">fil</span><span class="o">=</span><span class="bp">None</span><span class="p">):</span>149 <span class="sd">'''Open the output file as binary</span>150 151 <span class="sd"> :param str fil: The name of the file to open. If None (default)</span>152 <span class="sd"> the name defaults to self.filename.</span>153 <span class="sd"> :returns: the file object opened by the routine which is also</span>154 <span class="sd"> saved as self.fp</span>155 <span class="sd"> '''</span>156 <span class="k">if</span> <span class="ow">not</span> <span class="n">fil</span><span class="p">:</span>157 <span class="n">fil</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">filename</span>158 <span class="bp">self</span><span class="o">.</span><span class="n">fp</span> <span class="o">=</span> <span class="nb">open</span><span class="p">(</span><span class="n">fil</span><span class="p">,</span><span class="s">'wb'</span><span class="p">)</span>159 <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">fp</span>160 </div>161 149 <span class="k">def</span> <span class="nf">Write</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">data</span><span class="p">,</span><span class="n">dtype</span><span class="p">):</span> 162 150 <span class="kn">import</span> <span class="nn">struct</span> … … 174 162 <span class="c"># load all of the tree into a set of dicts</span> 175 163 <span class="bp">self</span><span class="o">.</span><span class="n">loadTree</span><span class="p">()</span> 176 <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> 177 <span class="n">AskFile</span><span class="o">=</span><span class="bp">False</span> <span class="c"># I'll make the file name</span> 178 <span class="p">):</span> <span class="k">return</span> 164 <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> 165 <span class="n">filename</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">filename</span> 179 166 <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> 180 167 <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> … … 183 170 184 171 <span class="k">if</span> <span class="ow">not</span> <span class="nb">len</span><span class="p">(</span><span class="n">rho</span><span class="p">):</span> 185 <span class="k">return</span> 172 <span class="k">print</span> <span class="s">"There is no map for phase "</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">phasenam</span><span class="p">)</span> 173 <span class="k">continue</span> 174 <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">phasenam</span><span class="p">)</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span> <span class="c"># if more than one filename is written, add a phase # -- not in use yet</span> 175 <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">'pId'</span><span class="p">]</span> 176 <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">splitext</span><span class="p">(</span><span class="n">filename</span><span class="p">)[</span><span class="mi">1</span><span class="p">]</span> <span class="o">+</span> <span class="s">"_"</span> <span class="o">+</span> <span class="n">mapData</span><span class="p">[</span><span class="s">'MapType'</span><span class="p">]</span> <span class="o">+</span> <span class="nb">str</span><span class="p">(</span><span class="n">i</span><span class="p">)</span> <span class="o">+</span> <span class="bp">self</span><span class="o">.</span><span class="n">extension</span> 186 177 <span class="n">cell</span> <span class="o">=</span> <span class="n">phasedict</span><span class="p">[</span><span class="s">'General'</span><span class="p">][</span><span class="s">'Cell'</span><span class="p">][</span><span class="mi">1</span><span class="p">:</span><span class="mi">7</span><span class="p">]</span> 187 178 <span class="n">nx</span><span class="p">,</span><span class="n">ny</span><span class="p">,</span><span class="n">nz</span> <span class="o">=</span> <span class="n">rho</span><span class="o">.</span><span class="n">shape</span> 188 <span class="n">filename</span><span class="p">,</span><span class="n">ext</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">splitext</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">filename</span><span class="p">)</span> 189 <span class="bp">self</span><span class="o">.</span><span class="n">filename</span> <span class="o">=</span> <span class="n">filename</span><span class="o">+</span><span class="s">'_'</span><span class="o">+</span><span class="n">phasenam</span><span class="o">+</span><span class="s">'_'</span><span class="o">+</span><span class="n">mapData</span><span class="p">[</span><span class="s">'MapType'</span><span class="p">]</span><span class="o">+</span><span class="n">ext</span> 190 <span class="bp">self</span><span class="o">.</span><span class="n">OpenFile</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">filename</span><span class="p">)</span> 179 <span class="bp">self</span><span class="o">.</span><span class="n">OpenFile</span><span class="p">(</span><span class="n">mode</span><span class="o">=</span><span class="s">'wb'</span><span class="p">)</span> 191 180 <span class="k">for</span> <span class="n">n</span> <span class="ow">in</span> <span class="n">rho</span><span class="o">.</span><span class="n">shape</span><span class="p">:</span> <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="n">n</span><span class="p">,</span><span class="s">'i'</span><span class="p">)</span> <span class="c">#nX,nY,nZ</span> 192 181 <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="mi">2</span><span class="p">,</span><span class="s">'i'</span><span class="p">)</span> <span class="c">#mode=2 float map</span> … … 208 197 <span class="k">for</span> <span class="n">x</span> <span class="ow">in</span> <span class="n">rho</span><span class="o">.</span><span class="n">flatten</span><span class="p">(</span><span class="s">'F'</span><span class="p">):</span> 209 198 <span class="bp">self</span><span class="o">.</span><span class="n">Write</span><span class="p">(</span><span class="n">x</span><span class="p">,</span><span class="s">'f'</span><span class="p">)</span> 210 <span class="k">print</span><span class="p">(</span><span class="s">'map from Phase '</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">' written to file '</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">filename</span><span class="p">))</span>211 199 <span class="bp">self</span><span class="o">.</span><span class="n">CloseFile</span><span class="p">()</span> 212 <span class="k"> return</span></div></div>200 <span class="k">print</span><span class="p">(</span><span class="s">'map from Phase '</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">' written to file '</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> 213 201 </pre></div> 214 202
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