Changeset 1709 for sphinxdocs/build/html/GSASIIutil.html
- Timestamp:
- Mar 14, 2015 5:35:03 PM (8 years ago)
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sphinxdocs/build/html/GSASIIutil.html
r1513 r1709 70 70 Other routines will update GSASII from the subversion server if svn can be 71 71 found.</p> 72 <p>Accesses configuration options, as defined in config.py</p> 73 <dl class="function"> 74 <dt id="GSASIIpath.DoNothing"> 75 <tt class="descclassname">GSASIIpath.</tt><tt class="descname">DoNothing</tt><big>(</big><big>)</big><a class="reference internal" href="_modules/GSASIIpath.html#DoNothing"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIpath.DoNothing" title="Permalink to this definition">¶</a></dt> 76 <dd><p>A routine that does nothing. This is called in place of IPyBreak and pdbBreak 77 except when the debug option is set True in config.py</p> 78 </dd></dl> 79 72 80 <dl class="function"> 73 81 <dt id="GSASIIpath.GetConfigValue"> … … 99 107 100 108 <dl class="function"> 109 <dt id="GSASIIpath.IPyBreak"> 110 <tt class="descclassname">GSASIIpath.</tt><tt class="descname">IPyBreak</tt><big>(</big><big>)</big><a class="headerlink" href="#GSASIIpath.IPyBreak" title="Permalink to this definition">¶</a></dt> 111 <dd><p>A routine that does nothing. This is called in place of IPyBreak and pdbBreak 112 except when the debug option is set True in config.py</p> 113 </dd></dl> 114 115 <dl class="function"> 116 <dt id="GSASIIpath.IPyBreak_base"> 117 <tt class="descclassname">GSASIIpath.</tt><tt class="descname">IPyBreak_base</tt><big>(</big><big>)</big><a class="reference internal" href="_modules/GSASIIpath.html#IPyBreak_base"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIpath.IPyBreak_base" title="Permalink to this definition">¶</a></dt> 118 <dd><p>A routine that invokes an IPython session at the calling location 119 This routine is only used when debug=True is set in config.py</p> 120 </dd></dl> 121 122 <dl class="function"> 123 <dt id="GSASIIpath.InvokeDebugOpts"> 124 <tt class="descclassname">GSASIIpath.</tt><tt class="descname">InvokeDebugOpts</tt><big>(</big><big>)</big><a class="reference internal" href="_modules/GSASIIpath.html#InvokeDebugOpts"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIpath.InvokeDebugOpts" title="Permalink to this definition">¶</a></dt> 125 <dd><p>Called in GSASII.py to set up debug options</p> 126 </dd></dl> 127 128 <dl class="function"> 101 129 <dt id="GSASIIpath.LoadConfigFile"> 102 130 <tt class="descclassname">GSASIIpath.</tt><tt class="descname">LoadConfigFile</tt><big>(</big><em>filename</em><big>)</big><a class="reference internal" href="_modules/GSASIIpath.html#LoadConfigFile"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIpath.LoadConfigFile" title="Permalink to this definition">¶</a></dt> … … 125 153 <col class="field-body" /> 126 154 <tbody valign="top"> 127 <tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><strong>RevString</strong> (<em>str</em>) – something like “$Revision: 1 512$”155 <tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><strong>RevString</strong> (<em>str</em>) – something like “$Revision: 1701 $” 128 156 that is set by subversion when the file is retrieved from subversion.</td> 129 157 </tr> 130 158 </tbody> 131 159 </table> 132 <p>Place <tt class="docutils literal"><span class="pre">GSASIIpath.SetVersionNumber("$Revision:</span> <span class="pre">1 512</span> <span class="pre">$")</span></tt> in every python160 <p>Place <tt class="docutils literal"><span class="pre">GSASIIpath.SetVersionNumber("$Revision:</span> <span class="pre">1701</span> <span class="pre">$")</span></tt> in every python 133 161 file.</p> 162 </dd></dl> 163 164 <dl class="function"> 165 <dt id="GSASIIpath.exceptHook"> 166 <tt class="descclassname">GSASIIpath.</tt><tt class="descname">exceptHook</tt><big>(</big><em>*args</em><big>)</big><a class="reference internal" href="_modules/GSASIIpath.html#exceptHook"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIpath.exceptHook" title="Permalink to this definition">¶</a></dt> 167 <dd><p>A routine to be called when an exception occurs. It prints the traceback 168 with fancy formatting and then calls an IPython shell with the environment 169 of the exception location.</p> 170 <p>This routine is only used when debug=True is set in config.py</p> 171 </dd></dl> 172 173 <dl class="function"> 174 <dt id="GSASIIpath.pdbBreak"> 175 <tt class="descclassname">GSASIIpath.</tt><tt class="descname">pdbBreak</tt><big>(</big><big>)</big><a class="headerlink" href="#GSASIIpath.pdbBreak" title="Permalink to this definition">¶</a></dt> 176 <dd><p>A routine that does nothing. This is called in place of IPyBreak and pdbBreak 177 except when the debug option is set True in config.py</p> 134 178 </dd></dl> 135 179 … … 158 202 <dt id="GSASIIpath.svnGetLog"> 159 203 <tt class="descclassname">GSASIIpath.</tt><tt class="descname">svnGetLog</tt><big>(</big><em>fpath='/Users/toby/software/G2/GSASII'</em>, <em>version=None</em><big>)</big><a class="reference internal" href="_modules/GSASIIpath.html#svnGetLog"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIpath.svnGetLog" title="Permalink to this definition">¶</a></dt> 160 <dd><p>Get the revision log information for a specific version of the </p>204 <dd><p>Get the revision log information for a specific version of the specified package</p> 161 205 <table class="docutils field-list" frame="void" rules="none"> 162 206 <col class="field-name" /> … … 199 243 None if there is a subversion error (likely because the path is 200 244 not a repository or svn is not found)</p> 245 </td> 246 </tr> 247 </tbody> 248 </table> 249 </dd></dl> 250 251 <dl class="function"> 252 <dt id="GSASIIpath.svnInstallDir"> 253 <tt class="descclassname">GSASIIpath.</tt><tt class="descname">svnInstallDir</tt><big>(</big><em>URL</em>, <em>loadpath</em><big>)</big><a class="reference internal" href="_modules/GSASIIpath.html#svnInstallDir"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIpath.svnInstallDir" title="Permalink to this definition">¶</a></dt> 254 <dd><p>Load a subversion tree into a specified directory</p> 255 <table class="docutils field-list" frame="void" rules="none"> 256 <col class="field-name" /> 257 <col class="field-body" /> 258 <tbody valign="top"> 259 <tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple"> 260 <li><strong>rpath</strong> (<em>str</em>) – path to locate files, relative to the GSAS-II 261 installation path (defaults to path2GSAS2)</li> 262 <li><strong>URL</strong> (<em>str</em>) – the repository URL</li> 263 </ul> 264 </td> 265 </tr> 266 </tbody> 267 </table> 268 </dd></dl> 269 270 <dl class="function"> 271 <dt id="GSASIIpath.svnSwitchDir"> 272 <tt class="descclassname">GSASIIpath.</tt><tt class="descname">svnSwitchDir</tt><big>(</big><em>rpath</em>, <em>filename</em>, <em>baseURL</em>, <em>loadpath=None</em><big>)</big><a class="reference internal" href="_modules/GSASIIpath.html#svnSwitchDir"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIpath.svnSwitchDir" title="Permalink to this definition">¶</a></dt> 273 <dd><p>This performs a switch command to move files between subversion trees.</p> 274 <p>This is currently used for moving tutorial web pages and demo files 275 into the GSAS-II source tree. Note that if the files were previously downloaded 276 the switch command will update the files to the newest version.</p> 277 <table class="docutils field-list" frame="void" rules="none"> 278 <col class="field-name" /> 279 <col class="field-body" /> 280 <tbody valign="top"> 281 <tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple"> 282 <li><strong>rpath</strong> (<em>str</em>) – path to locate files, relative to the GSAS-II 283 installation path (defaults to path2GSAS2)</li> 284 <li><strong>URL</strong> (<em>str</em>) – the repository URL</li> 285 <li><strong>loadpath</strong> (<em>str</em>) – the prefix for the path, if specified. Defaults to path2GSAS2</li> 286 </ul> 201 287 </td> 202 288 </tr> … … 231 317 <tt class="descclassname">GSASIIpath.</tt><tt class="descname">svnUpdateProcess</tt><big>(</big><em>version=None</em>, <em>projectfile=None</em><big>)</big><a class="reference internal" href="_modules/GSASIIpath.html#svnUpdateProcess"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIpath.svnUpdateProcess" title="Permalink to this definition">¶</a></dt> 232 318 <dd><p>perform an update of GSAS-II in a separate python process</p> 319 </dd></dl> 320 321 <dl class="function"> 322 <dt id="GSASIIpath.svnUpgrade"> 323 <tt class="descclassname">GSASIIpath.</tt><tt class="descname">svnUpgrade</tt><big>(</big><em>fpath='/Users/toby/software/G2/GSASII'</em><big>)</big><a class="reference internal" href="_modules/GSASIIpath.html#svnUpgrade"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIpath.svnUpgrade" title="Permalink to this definition">¶</a></dt> 324 <dd><p>This reformats subversion files, which may be needed if an upgrade of subversion is 325 done.</p> 326 <table class="docutils field-list" frame="void" rules="none"> 327 <col class="field-name" /> 328 <col class="field-body" /> 329 <tbody valign="top"> 330 <tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><strong>fpath</strong> (<em>str</em>) – path to repository dictionary, defaults to directory where 331 the current file is located</td> 332 </tr> 333 </tbody> 334 </table> 335 </dd></dl> 336 337 <dl class="function"> 338 <dt id="GSASIIpath.svnVersion"> 339 <tt class="descclassname">GSASIIpath.</tt><tt class="descname">svnVersion</tt><big>(</big><big>)</big><a class="reference internal" href="_modules/GSASIIpath.html#svnVersion"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIpath.svnVersion" title="Permalink to this definition">¶</a></dt> 340 <dd><p>Get the version number of the current subversion executable</p> 341 <table class="docutils field-list" frame="void" rules="none"> 342 <col class="field-name" /> 343 <col class="field-body" /> 344 <tbody valign="top"> 345 <tr class="field-odd field"><th class="field-name">Returns:</th><td class="field-body">a string with a version number such as “1.6.6” or None if 346 subversion is not found.</td> 347 </tr> 348 </tbody> 349 </table> 350 </dd></dl> 351 352 <dl class="function"> 353 <dt id="GSASIIpath.svnVersionNumber"> 354 <tt class="descclassname">GSASIIpath.</tt><tt class="descname">svnVersionNumber</tt><big>(</big><big>)</big><a class="reference internal" href="_modules/GSASIIpath.html#svnVersionNumber"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIpath.svnVersionNumber" title="Permalink to this definition">¶</a></dt> 355 <dd><p>Get the version number of the current subversion executable</p> 356 <table class="docutils field-list" frame="void" rules="none"> 357 <col class="field-name" /> 358 <col class="field-body" /> 359 <tbody valign="top"> 360 <tr class="field-odd field"><th class="field-name">Returns:</th><td class="field-body">a fractional version number such as 1.6 or None if 361 subversion is not found.</td> 362 </tr> 363 </tbody> 364 </table> 233 365 </dd></dl> 234 366 … … 463 595 provide the default behavior if the file is not present or if any configuration 464 596 variable is not set, but please do place a docstring here for every used 465 config variable explaining what it does.</p> 597 config variable explaining what it does. Access these variables using 598 <a class="reference internal" href="#GSASIIpath.GetConfigValue" title="GSASIIpath.GetConfigValue"><tt class="xref py py-func docutils literal"><span class="pre">GSASIIpath.GetConfigValue()</span></tt></a>.</p> 466 599 <dl class="data"> 467 600 <dt id="config_example.Enable_logging"> 468 601 <tt class="descclassname">config_example.</tt><tt class="descname">Enable_logging</tt><em class="property"> = None</em><a class="headerlink" href="#config_example.Enable_logging" title="Permalink to this definition">¶</a></dt> 469 602 <dd><p>Set to True to enable use of command logging</p> 603 </dd></dl> 604 605 <dl class="data"> 606 <dt id="config_example.Help_mode"> 607 <tt class="descclassname">config_example.</tt><tt class="descname">Help_mode</tt><em class="property"> = None</em><a class="headerlink" href="#config_example.Help_mode" title="Permalink to this definition">¶</a></dt> 608 <dd><p>Set to “internal” to use a Python-based web viewer rather than a web browser</p> 609 </dd></dl> 610 611 <dl class="data"> 612 <dt id="config_example.Tutorial_location"> 613 <tt class="descclassname">config_example.</tt><tt class="descname">Tutorial_location</tt><em class="property"> = None</em><a class="headerlink" href="#config_example.Tutorial_location" title="Permalink to this definition">¶</a></dt> 614 <dd><p>Change this to place tutorials by in a different spot. If None, this defaults to 615 the location where GSAS-II is loaded GSASIIpath.path2GSAS2. For installations where 616 G2 is installed by an administrator, it is a good idea to use something like this:</p> 617 <div class="highlight-python"><div class="highlight"><pre><span class="kn">import</span> <span class="nn">os.path</span> 618 <span class="n">Tutorial_location</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="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">expanduser</span><span class="p">(</span><span class="s">'~'</span><span class="p">),</span><span class="s">'G2tutorials'</span><span class="p">)</span> 619 </pre></div> 620 </div> 621 <p>This will allow users to download tutorial files into their own file space.</p> 622 </dd></dl> 623 624 <dl class="data"> 625 <dt id="config_example.debug"> 626 <tt class="descclassname">config_example.</tt><tt class="descname">debug</tt><em class="property"> = False</em><a class="headerlink" href="#config_example.debug" title="Permalink to this definition">¶</a></dt> 627 <dd><p>Set to True to turn on debugging mode. This enables use of IPython on 628 exceptions and on calls to <a class="reference internal" href="#GSASIIpath.IPyBreak" title="GSASIIpath.IPyBreak"><tt class="xref py py-func docutils literal"><span class="pre">GSASIIpath.IPyBreak()</span></tt></a>. Calls to 629 <a class="reference internal" href="#GSASIIpath.pdbBreak" title="GSASIIpath.pdbBreak"><tt class="xref py py-func docutils literal"><span class="pre">GSASIIpath.pdbBreak()</span></tt></a> will invoke pdb at that location. 630 If debug is false calls to <a class="reference internal" href="#GSASIIpath.IPyBreak" title="GSASIIpath.IPyBreak"><tt class="xref py py-func docutils literal"><span class="pre">GSASIIpath.IPyBreak()</span></tt></a> and 631 <a class="reference internal" href="#GSASIIpath.pdbBreak" title="GSASIIpath.pdbBreak"><tt class="xref py py-func docutils literal"><span class="pre">GSASIIpath.pdbBreak()</span></tt></a> are ignored.</p> 470 632 </dd></dl> 471 633 … … 945 1107 946 1108 <dl class="function"> 1109 <dt id="GSASIIlattice.GenSSHLaue"> 1110 <tt class="descclassname">GSASIIlattice.</tt><tt class="descname">GenSSHLaue</tt><big>(</big><em>dmin</em>, <em>SGData</em>, <em>SSGData</em>, <em>Vec</em>, <em>maxH</em>, <em>A</em><big>)</big><a class="reference internal" href="_modules/GSASIIlattice.html#GenSSHLaue"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIlattice.GenSSHLaue" title="Permalink to this definition">¶</a></dt> 1111 <dd><p>needs a doc string</p> 1112 </dd></dl> 1113 1114 <dl class="function"> 947 1115 <dt id="GSASIIlattice.GetBraviasNum"> 948 1116 <tt class="descclassname">GSASIIlattice.</tt><tt class="descname">GetBraviasNum</tt><big>(</big><em>center</em>, <em>system</em><big>)</big><a class="reference internal" href="_modules/GSASIIlattice.html#GetBraviasNum"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIlattice.GetBraviasNum" title="Permalink to this definition">¶</a></dt> … … 1066 1234 <dt id="GSASIIlattice.Pos2dsp"> 1067 1235 <tt class="descclassname">GSASIIlattice.</tt><tt class="descname">Pos2dsp</tt><big>(</big><em>Inst</em>, <em>pos</em><big>)</big><a class="reference internal" href="_modules/GSASIIlattice.html#Pos2dsp"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIlattice.Pos2dsp" title="Permalink to this definition">¶</a></dt> 1068 <dd><p>convert powder pattern position (2-theta or TOF, musec) to d-spacing 1069 ignores secondary effects (e.g. difB in TOF)</p> 1236 <dd><p>convert powder pattern position (2-theta or TOF, musec) to d-spacing</p> 1070 1237 </dd></dl> 1071 1238 … … 1107 1274 1108 1275 <dl class="function"> 1276 <dt id="GSASIIlattice.TOF2dsp"> 1277 <tt class="descclassname">GSASIIlattice.</tt><tt class="descname">TOF2dsp</tt><big>(</big><em>Inst</em>, <em>Pos</em><big>)</big><a class="reference internal" href="_modules/GSASIIlattice.html#TOF2dsp"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIlattice.TOF2dsp" title="Permalink to this definition">¶</a></dt> 1278 <dd><p>convert powder pattern TOF, musec to d-spacing by successive approximation 1279 Pos can be numpy array</p> 1280 </dd></dl> 1281 1282 <dl class="function"> 1109 1283 <dt id="GSASIIlattice.U6toUij"> 1110 1284 <tt class="descclassname">GSASIIlattice.</tt><tt class="descname">U6toUij</tt><big>(</big><em>U6</em><big>)</big><a class="reference internal" href="_modules/GSASIIlattice.html#U6toUij"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIlattice.U6toUij" title="Permalink to this definition">¶</a></dt> … … 1176 1350 1177 1351 <dl class="function"> 1352 <dt id="GSASIIlattice.calc_rDsqSS"> 1353 <tt class="descclassname">GSASIIlattice.</tt><tt class="descname">calc_rDsqSS</tt><big>(</big><em>H</em>, <em>A</em>, <em>vec</em><big>)</big><a class="reference internal" href="_modules/GSASIIlattice.html#calc_rDsqSS"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIlattice.calc_rDsqSS" title="Permalink to this definition">¶</a></dt> 1354 <dd><p>needs doc string</p> 1355 </dd></dl> 1356 1357 <dl class="function"> 1178 1358 <dt id="GSASIIlattice.calc_rDsqT"> 1179 1359 <tt class="descclassname">GSASIIlattice.</tt><tt class="descname">calc_rDsqT</tt><big>(</big><em>H</em>, <em>A</em>, <em>Z</em>, <em>tof</em>, <em>difC</em><big>)</big><a class="reference internal" href="_modules/GSASIIlattice.html#calc_rDsqT"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIlattice.calc_rDsqT" title="Permalink to this definition">¶</a></dt> … … 1182 1362 1183 1363 <dl class="function"> 1364 <dt id="GSASIIlattice.calc_rDsqTSS"> 1365 <tt class="descclassname">GSASIIlattice.</tt><tt class="descname">calc_rDsqTSS</tt><big>(</big><em>H</em>, <em>A</em>, <em>vec</em>, <em>Z</em>, <em>tof</em>, <em>difC</em><big>)</big><a class="reference internal" href="_modules/GSASIIlattice.html#calc_rDsqTSS"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIlattice.calc_rDsqTSS" title="Permalink to this definition">¶</a></dt> 1366 <dd><p>needs doc string</p> 1367 </dd></dl> 1368 1369 <dl class="function"> 1184 1370 <dt id="GSASIIlattice.calc_rDsqZ"> 1185 1371 <tt class="descclassname">GSASIIlattice.</tt><tt class="descname">calc_rDsqZ</tt><big>(</big><em>H</em>, <em>A</em>, <em>Z</em>, <em>tth</em>, <em>lam</em><big>)</big><a class="reference internal" href="_modules/GSASIIlattice.html#calc_rDsqZ"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIlattice.calc_rDsqZ" title="Permalink to this definition">¶</a></dt> 1372 <dd><p>needs doc string</p> 1373 </dd></dl> 1374 1375 <dl class="function"> 1376 <dt id="GSASIIlattice.calc_rDsqZSS"> 1377 <tt class="descclassname">GSASIIlattice.</tt><tt class="descname">calc_rDsqZSS</tt><big>(</big><em>H</em>, <em>A</em>, <em>vec</em>, <em>Z</em>, <em>tth</em>, <em>lam</em><big>)</big><a class="reference internal" href="_modules/GSASIIlattice.html#calc_rDsqZSS"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIlattice.calc_rDsqZSS" title="Permalink to this definition">¶</a></dt> 1186 1378 <dd><p>needs doc string</p> 1187 1379 </dd></dl> … … 1400 1592 <dl class="data"> 1401 1593 <dt id="GSASIIlattice.selftestlist"> 1402 <tt class="descclassname">GSASIIlattice.</tt><tt class="descname">selftestlist</tt><em class="property"> = [<function test0 at 0x10 8e0cf50>, <function test1 at 0x108e0f050>, <function test2 at 0x108e0f0c8>, <function test3 at 0x108e0f140>, <function test4 at 0x108e0f1b8>, <function test5 at 0x108e0f230>, <function test6 at 0x108e0f2a8>, <function test7 at 0x108e0f320>, <function test8 at 0x108e0f398>, <function test9 at 0x108e0f410>]</em><a class="headerlink" href="#GSASIIlattice.selftestlist" title="Permalink to this definition">¶</a></dt>1594 <tt class="descclassname">GSASIIlattice.</tt><tt class="descname">selftestlist</tt><em class="property"> = [<function test0 at 0x1095d4d70>, <function test1 at 0x1095d4de8>, <function test2 at 0x1095d4e60>, <function test3 at 0x1095d4ed8>, <function test4 at 0x1095d4f50>, <function test5 at 0x1095e9050>, <function test6 at 0x1095e90c8>, <function test7 at 0x1095e9140>, <function test8 at 0x1095e91b8>, <function test9 at 0x1095e9230>]</em><a class="headerlink" href="#GSASIIlattice.selftestlist" title="Permalink to this definition">¶</a></dt> 1403 1595 <dd><p>Defines a list of self-tests</p> 1404 1596 </dd></dl> … … 1406 1598 <dl class="function"> 1407 1599 <dt id="GSASIIlattice.sortHKLd"> 1408 <tt class="descclassname">GSASIIlattice.</tt><tt class="descname">sortHKLd</tt><big>(</big><em>HKLd</em>, <em>ifreverse</em>, <em>ifdup</em> <big>)</big><a class="reference internal" href="_modules/GSASIIlattice.html#sortHKLd"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIlattice.sortHKLd" title="Permalink to this definition">¶</a></dt>1600 <tt class="descclassname">GSASIIlattice.</tt><tt class="descname">sortHKLd</tt><big>(</big><em>HKLd</em>, <em>ifreverse</em>, <em>ifdup</em>, <em>ifSS=False</em><big>)</big><a class="reference internal" href="_modules/GSASIIlattice.html#sortHKLd"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIlattice.sortHKLd" title="Permalink to this definition">¶</a></dt> 1409 1601 <dd><p>needs doc string</p> 1410 1602 <table class="docutils field-list" frame="void" rules="none"> … … 1586 1778 <tbody valign="top"> 1587 1779 <tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple"> 1588 <li><strong>HKL</strong> – [h,k,l] </li>1780 <li><strong>HKL</strong> – [h,k,l] must be integral values for genhkl.for to work</li> 1589 1781 <li><strong>SGData</strong> – space group data obtained from SpcGroup</li> 1590 1782 </ul> … … 1596 1788 <li>mulp = reflection multiplicity including Friedel pairs</li> 1597 1789 <li>Uniq = numpy array of equivalent hkl in descending order of h,k,l</li> 1790 <li>phi = phase offset for each equivalent h,k,l</li> 1598 1791 </ul> 1599 1792 </p> … … 1625 1818 <dt id="GSASIIspc.GetNXUPQsym"> 1626 1819 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">GetNXUPQsym</tt><big>(</big><em>siteSym</em><big>)</big><a class="reference internal" href="_modules/GSASIIspc.html#GetNXUPQsym"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIspc.GetNXUPQsym" title="Permalink to this definition">¶</a></dt> 1627 <dd><p>Needs a doc string</p> 1820 <dd><p>The codes XUPQ are for lookup of symmetry constraints for position(X), thermal parm(U) & magnetic moments 1821 (P&Q-not used in GSAS-II)</p> 1628 1822 </dd></dl> 1629 1823 … … 1648 1842 <dl class="function"> 1649 1843 <dt id="GSASIIspc.MT2text"> 1650 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">MT2text</tt><big>(</big><em> M</em>, <em>T</em><big>)</big><a class="reference internal" href="_modules/GSASIIspc.html#MT2text"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIspc.MT2text" title="Permalink to this definition">¶</a></dt>1844 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">MT2text</tt><big>(</big><em>Opr</em><big>)</big><a class="reference internal" href="_modules/GSASIIspc.html#MT2text"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIspc.MT2text" title="Permalink to this definition">¶</a></dt> 1651 1845 <dd><p>From space group matrix/translation operator returns text version</p> 1652 1846 </dd></dl> … … 1736 1930 <tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><strong>SGData</strong> – from <a class="reference internal" href="#GSASIIspc.SpcGroup" title="GSASIIspc.SpcGroup"><tt class="xref py py-func docutils literal"><span class="pre">SpcGroup()</span></tt></a></td> 1737 1931 </tr> 1738 <tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body">SGText - list of strings with the space group details</td> 1932 <tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body">SGText - list of strings with the space group details 1933 SGTable - list of strings for each of the operations</td> 1934 </tr> 1935 </tbody> 1936 </table> 1937 </dd></dl> 1938 1939 <dl class="function"> 1940 <dt id="GSASIIspc.SGProd"> 1941 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">SGProd</tt><big>(</big><em>OpA</em>, <em>OpB</em><big>)</big><a class="reference internal" href="_modules/GSASIIspc.html#SGProd"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIspc.SGProd" title="Permalink to this definition">¶</a></dt> 1942 <dd><dl class="docutils"> 1943 <dt>Form space group operator product. OpA & OpB are [M,V] pairs; </dt> 1944 <dd>both must be of same dimension (3 or 4). Returns [M,V] pair</dd> 1945 </dl> 1946 </dd></dl> 1947 1948 <dl class="function"> 1949 <dt id="GSASIIspc.SGPtGroup"> 1950 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">SGPtGroup</tt><big>(</big><em>SGData</em><big>)</big><a class="reference internal" href="_modules/GSASIIspc.html#SGPtGroup"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIspc.SGPtGroup" title="Permalink to this definition">¶</a></dt> 1951 <dd><p>Determine point group of the space group - done after space group symbol has 1952 been evaluated by SpcGroup. Only short symbols are allowed</p> 1953 <table class="docutils field-list" frame="void" rules="none"> 1954 <col class="field-name" /> 1955 <col class="field-body" /> 1956 <tbody valign="top"> 1957 <tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><strong>SGData</strong> – from :func SpcGroup</td> 1958 </tr> 1959 <tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body">SSGPtGrp & SSGKl (only defaults for Mono & Ortho)</td> 1739 1960 </tr> 1740 1961 </tbody> … … 1749 1970 1750 1971 <dl class="function"> 1972 <dt id="GSASIIspc.SSGModCheck"> 1973 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">SSGModCheck</tt><big>(</big><em>Vec</em>, <em>modSymb</em><big>)</big><a class="reference internal" href="_modules/GSASIIspc.html#SSGModCheck"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIspc.SSGModCheck" title="Permalink to this definition">¶</a></dt> 1974 <dd><p>Checks modulation vector compatibility with supersymmetry space group symbol. 1975 Superspace group symbol takes precidence & the vector will be modified accordingly</p> 1976 </dd></dl> 1977 1978 <dl class="function"> 1979 <dt id="GSASIIspc.SSGPrint"> 1980 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">SSGPrint</tt><big>(</big><em>SGData</em>, <em>SSGData</em><big>)</big><a class="reference internal" href="_modules/GSASIIspc.html#SSGPrint"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIspc.SSGPrint" title="Permalink to this definition">¶</a></dt> 1981 <dd><p>Print the output of SSpcGroup in a nicely formatted way. Used in SSpaceGroup</p> 1982 <table class="docutils field-list" frame="void" rules="none"> 1983 <col class="field-name" /> 1984 <col class="field-body" /> 1985 <tbody valign="top"> 1986 <tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple"> 1987 <li><strong>SGData</strong> – space group data structure as defined in SpcGroup above.</li> 1988 <li><strong>SSGData</strong> – from <a class="reference internal" href="#GSASIIspc.SSpcGroup" title="GSASIIspc.SSpcGroup"><tt class="xref py py-func docutils literal"><span class="pre">SSpcGroup()</span></tt></a></li> 1989 </ul> 1990 </td> 1991 </tr> 1992 <tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last">SSGText - list of strings with the superspace group details 1993 SGTable - list of strings for each of the operations</p> 1994 </td> 1995 </tr> 1996 </tbody> 1997 </table> 1998 </dd></dl> 1999 2000 <dl class="function"> 2001 <dt id="GSASIIspc.SSLatt2text"> 2002 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">SSLatt2text</tt><big>(</big><em>SSGCen</em><big>)</big><a class="reference internal" href="_modules/GSASIIspc.html#SSLatt2text"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIspc.SSLatt2text" title="Permalink to this definition">¶</a></dt> 2003 <dd><p>Lattice centering vectors to text</p> 2004 </dd></dl> 2005 2006 <dl class="function"> 2007 <dt id="GSASIIspc.SSMT2text"> 2008 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">SSMT2text</tt><big>(</big><em>Opr</em><big>)</big><a class="reference internal" href="_modules/GSASIIspc.html#SSMT2text"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIspc.SSMT2text" title="Permalink to this definition">¶</a></dt> 2009 <dd><p>From superspace group matrix/translation operator returns text version</p> 2010 </dd></dl> 2011 2012 <dl class="function"> 2013 <dt id="GSASIIspc.SSpaceGroup"> 2014 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">SSpaceGroup</tt><big>(</big><em>SGSymbol</em>, <em>SSymbol</em><big>)</big><a class="reference internal" href="_modules/GSASIIspc.html#SSpaceGroup"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIspc.SSpaceGroup" title="Permalink to this definition">¶</a></dt> 2015 <dd><p>Print the output of SSpcGroup in a nicely formatted way.</p> 2016 <table class="docutils field-list" frame="void" rules="none"> 2017 <col class="field-name" /> 2018 <col class="field-body" /> 2019 <tbody valign="top"> 2020 <tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple"> 2021 <li><strong>SGSymbol</strong> – space group symbol with spaces between axial fields.</li> 2022 <li><strong>SSymbol</strong> – superspace group symbol extension (string).</li> 2023 </ul> 2024 </td> 2025 </tr> 2026 <tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last">nothing</p> 2027 </td> 2028 </tr> 2029 </tbody> 2030 </table> 2031 </dd></dl> 2032 2033 <dl class="function"> 2034 <dt id="GSASIIspc.SSpcGroup"> 2035 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">SSpcGroup</tt><big>(</big><em>SGData</em>, <em>SSymbol</em><big>)</big><a class="reference internal" href="_modules/GSASIIspc.html#SSpcGroup"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIspc.SSpcGroup" title="Permalink to this definition">¶</a></dt> 2036 <dd><p>Determines supersymmetry information from superspace group name; currently only for (3+1) superlattices</p> 2037 <table class="docutils field-list" frame="void" rules="none"> 2038 <col class="field-name" /> 2039 <col class="field-body" /> 2040 <tbody valign="top"> 2041 <tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple"> 2042 <li><strong>SGData</strong> – space group data structure as defined in SpcGroup above.</li> 2043 <li><strong>SSymbol</strong> – superspace group symbol extension (string) defining modulation direction & generator info.</li> 2044 </ul> 2045 </td> 2046 </tr> 2047 <tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last"><p>(SSGError,SSGData)</p> 2048 <ul> 2049 <li><p class="first">SGError = 0 for no errors; >0 for errors (see SGErrors below for details)</p> 2050 </li> 2051 <li><p class="first">SSGData - is a dict (see <em class="xref std std-ref">Superspace Group object</em>) with entries:</p> 2052 <blockquote> 2053 <div><ul class="simple"> 2054 <li>‘SSpGrp’: superspace group symbol extension to space group symbol, accidental spaces removed</li> 2055 <li>‘SSGCen’: 4D cell centering vectors [0,0,0,0] at least</li> 2056 <li>‘SSGOps’: 4D symmetry operations as [M,T] so that M*x+T = x’</li> 2057 </ul> 2058 </div></blockquote> 2059 </li> 2060 </ul> 2061 </p> 2062 </td> 2063 </tr> 2064 </tbody> 2065 </table> 2066 </dd></dl> 2067 2068 <dl class="function"> 1751 2069 <dt id="GSASIIspc.SpaceGroup"> 1752 2070 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">SpaceGroup</tt><big>(</big><em>SGSymbol</em><big>)</big><a class="reference internal" href="_modules/GSASIIspc.html#SpaceGroup"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIspc.SpaceGroup" title="Permalink to this definition">¶</a></dt> … … 1774 2092 <tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><strong>SGSymbol</strong> – space group symbol (string) with spaces between axial fields</td> 1775 2093 </tr> 1776 <tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body">(SGError,SGData) 1777 * SGError = 0 for no errors; >0 for errors (see SGErrors below for details) 1778 *SGData - is a dict (see <a class="reference internal" href="GSASIIobj.html#sgdata-table"><em>Space Group object</em></a>) with entries:<blockquote>1779 <div><ul class="simple">2094 <tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body">(SGError,SGData)<ul> 2095 <li>SGError = 0 for no errors; >0 for errors (see SGErrors below for details)</li> 2096 <li>SGData - is a dict (see <a class="reference internal" href="GSASIIobj.html#sgdata-table"><em>Space Group object</em></a>) with entries:<blockquote> 2097 <div><ul> 1780 2098 <li>‘SpGrp’: space group symbol, slightly cleaned up</li> 1781 <li>‘ Laue’: one of ‘-1’, ‘2/m’, ‘mmm’, ‘4/m’, ‘4/mmm’, ‘3R’,2099 <li>‘SGLaue’: one of ‘-1’, ‘2/m’, ‘mmm’, ‘4/m’, ‘4/mmm’, ‘3R’, 1782 2100 ‘3mR’, ‘3’, ‘3m1’, ‘31m’, ‘6/m’, ‘6/mmm’, ‘m3’, ‘m3m’</li> 1783 2101 <li>‘SGInv’: boolean; True if centrosymmetric, False if not</li> … … 1790 2108 <li>‘SGPolax’: one of ‘’, ‘x’, ‘y’, ‘x y’, ‘z’, ‘x z’, ‘y z’, 1791 2109 ‘xyz’, ‘111’ for arbitrary axes</li> 2110 <li><dl class="first docutils"> 2111 <dt>‘SGPtGrp’: one of 32 point group symbols (with some permutations)</dt> 2112 <dd><ul class="first last simple"> 2113 <li>filled by SGPtGroup - is external (KE) part of supersymmetry point group</li> 2114 </ul> 2115 </dd> 2116 </dl> 2117 </li> 2118 <li><dl class="first docutils"> 2119 <dt>‘SSGKl’: default internal (Kl) part of supersymmetry point group; modified </dt> 2120 <dd>in supersymmetry stuff depending on chosen modulation vector for Mono & Ortho</dd> 2121 </dl> 2122 </li> 1792 2123 </ul> 1793 2124 </div></blockquote> 2125 </li> 2126 </ul> 1794 2127 </td> 1795 2128 </tr> … … 1848 2181 <dl class="data"> 1849 2182 <dt id="GSASIIspc.selftestlist"> 1850 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">selftestlist</tt><em class="property"> = [<function test0 at 0x108 e38aa0>, <function test1 at 0x108e38b18>, <function test2 at 0x108e38b90>, <function test3 at 0x108e38c08>]</em><a class="headerlink" href="#GSASIIspc.selftestlist" title="Permalink to this definition">¶</a></dt>2183 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">selftestlist</tt><em class="property"> = [<function test0 at 0x108c06668>, <function test1 at 0x108c066e0>, <function test2 at 0x108c06758>, <function test3 at 0x108c067d0>]</em><a class="headerlink" href="#GSASIIspc.selftestlist" title="Permalink to this definition">¶</a></dt> 1851 2184 <dd><p>Defines a list of self-tests</p> 2185 </dd></dl> 2186 2187 <dl class="data"> 2188 <dt id="GSASIIspc.spglist"> 2189 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">spglist</tt><em class="property"> = {'P6/mmm': ('P 3', 'P 31', 'P 32', 'P -3', 'P 3 1 2', 'P 3 2 1', 'P 31 1 2', 'P 31 2 1', 'P 32 1 2', 'P 32 2 1', 'P 3 m 1', 'P 3 1 m', 'P 3 c 1', 'P 3 1 c', 'P -3 1 m', 'P -3 1 c', 'P -3 m 1', 'P -3 c 1', 'P 6', 'P 61', 'P 65', 'P 62', 'P 64', 'P 63', 'P -6', 'P 6/m', 'P 63/m', 'P 6 2 2', 'P 61 2 2', 'P 65 2 2', 'P 62 2 2', 'P 64 2 2', 'P 63 2 2', 'P 6 m m', 'P 6 c c', 'P 63 c m', 'P 63 m c', 'P -6 m 2', 'P -6 c 2', 'P -6 2 m', 'P -6 2 c', 'P 6/m m m', 'P 6/m c c', 'P 63/m c m', 'P 63/m m c'), 'P1': ('P 1', 'P -1'), 'Immm': ('I 2 2 2', 'I 21 21 21', 'I m m 2', 'I m 2 m', 'I 2 m m', 'I b a 2', 'I 2 c b', 'I c 2 a', 'I m a 2', 'I 2 m b', 'I c 2 m', 'I m 2 a', 'I b m 2', 'I 2 c m', 'I m m m', 'I b a m', 'I m c b', 'I c m a', 'I b c a', 'I c a b', 'I m m a', 'I b m m ', 'I m c m', 'I m a m', 'I m m b', 'I c m m'), 'Pm3m': ('P 2 3', 'P 21 3', 'P m 3', 'P n 3', 'P a 3', 'P 4 3 2', 'P 42 3 2', 'P 43 3 2', 'P 41 3 2', 'P -4 3 m', 'P -4 3 n', 'P m 3 m', 'P n 3 n', 'P m 3 n', 'P n 3 m'), 'Pmmm': ('P 2 2 2', 'P 2 2 21', 'P 21 2 2', 'P 2 21 2', 'P 21 21 2', 'P 2 21 21', 'P 21 2 21', 'P 21 21 21', 'P m m 2', 'P 2 m m', 'P m 2 m', 'P m c 21', 'P 21 m a', 'P b 21 m', 'P m 21 b', 'P c m 21', 'P 21 a m', 'P c c 2', 'P 2 a a', 'P b 2 b', 'P m a 2', 'P 2 m b', 'P c 2 m', 'P m 2 a', 'P b m 2', 'P 2 c m', 'P c a 21', 'P 21 a b', 'P c 21 b', 'P b 21 a', 'P b c 21', 'P 21 c a', 'P n c 2', 'P 2 n a', 'P b 2 n', 'P n 2 b', 'P c n 2', 'P 2 a n', 'P m n 21', 'P 21 m n', 'P n 21 m', 'P m 21 n', 'P n m 21', 'P 21 n m', 'P b a 2', 'P 2 c b', 'P c 2 a', 'P n a 21', 'P 21 n b', 'P c 21 n', 'P n 21 a', 'P b n 21', 'P 21 c n', 'P n n 2', 'P 2 n n', 'P n 2 n', 'P m m m', 'P n n n', 'P c c m', 'P m a a', 'P b m b', 'P b a n', 'P n c b', 'P c n a', 'P m m a', 'P b m m', 'P m c m', 'P m a m', 'P m m b', 'P c m m', 'P n n a', 'P b n n', 'P n c n', 'P n a n', 'P n n b', 'P c n n', 'P m n a', 'P b m n', 'P n c m', 'P m a n', 'P n m b', 'P c n m', 'P c c a', 'P b a a', 'P b c b', 'P b a b', 'P c c b', 'P c a a', 'P b a m', 'P m c b', 'P c m a', 'P c c n', 'P n a a', 'P b n b', 'P b c m', 'P m c a', 'P b m a', 'P c m b', 'P c a m', 'P m a b', 'P n n m', 'P m n n', 'P n m n', 'P m m n', 'P n m m', 'P m n m', 'P b c n', 'P n c a', 'P b n a', 'P c n b', 'P c a n', 'P n a b', 'P b c a', 'P c a b', 'P n m a', 'P b n m', 'P m c n', 'P n a m', 'P m n b', 'P c m n'), 'P4/mmm': ('P 4', 'P 41', 'P 42', 'P 43', 'P -4', 'P 4/m', 'P 42/m', 'P 4/n', 'P 42/n', 'P 4 2 2', 'P 4 21 2', 'P 41 2 2', 'P 41 21 2', 'P 42 2 2', 'P 42 21 2', 'P 43 2 2', 'P 43 21 2', 'P 4 m m', 'P 4 b m', 'P 42 c m', 'P 42 n m', 'P 4 c c', 'P 4 n c', 'P 42 m c', 'P 42 b c', 'P -4 2 m', 'P -4 2 c', 'P -4 21 m', 'P -4 21 c', 'P -4 m 2', 'P -4 c 2', 'P -4 b 2', 'P -4 n 2', 'P 4/m m m', 'P 4/m c c', 'P 4/n b m', 'P 4/n n c', 'P 4/m b m', 'P 4/m n c', 'P 4/n m m', 'P 4/n c c', 'P 42/m m c', 'P 42/m c m', 'P 42/n b c', 'P 42/n n m', 'P 42/m b c', 'P 42/m n m', 'P 42/n m c', 'P 42/n c m'), 'I4/mmm': ('I 4', 'I 41', 'I -4', 'I 4/m', 'I 41/a', 'I 4 2 2', 'I 41 2 2', 'I 4 m m', 'I 4 c m', 'I 41 m d', 'I 41 c d', 'I -4 m 2', 'I -4 c 2', 'I -4 2 m', 'I -4 2 d', 'I 4/m m m', 'I 4/m c m', 'I 41/a m d', 'I 41/a c d'), 'P2/m': ('P 2', 'P 21', 'P m', 'P a', 'P c', 'P n', 'P 2/m', 'P 21/m', 'P 2/c', 'P 2/a', 'P 2/n', 'P 21/c', 'P 21/a', 'P 21/n'), 'Fm3m': ('F 2 3', 'F m -3', 'F d -3', 'F 4 3 2', 'F 41 3 2', 'F -4 3 m', 'F -4 3 c', 'F m -3 m', 'F m 3 m', 'F m -3 c', 'F d -3 m', 'F d -3 c'), 'Fmmm': ('F 2 2 2', 'F m m m', 'F d d d', 'F m m 2', 'F m 2 m', 'F 2 m m', 'F d d 2', 'F d 2 d', 'F 2 d d'), 'Im3m': ('I 2 3', 'I 21 3', 'I m -3', 'I a -3', 'I 4 3 2', 'I 41 3 2', 'I -4 3 m', 'I -4 3 d', 'I m -3 m', 'I m 3 m', 'I a -3 d'), 'Cmmm': ('C 2 2 21', 'C 2 2 2', 'C m m 2', 'C m c 21', 'C c m 21', 'C c c 2', 'C m 2 m', 'C 2 m m', 'C m 2 a', 'C 2 m b', 'C c 2 m', 'C 2 c m', 'C c 2 a', 'C 2 c b', 'C m c m', 'C m c a', 'C c m b', 'C m m m', 'C c c m', 'C m m a', 'C m m b', 'C c c a', 'C c c b'), 'C2/m': ('C 2', 'C m', 'C c', 'C n', 'C 2/m', 'C 2/c', 'C 2/n'), 'R3-H': ('R 3', 'R -3', 'R 3 2', 'R 3 m', 'R 3 c', 'R -3 m', 'R -3 c')}</em><a class="headerlink" href="#GSASIIspc.spglist" title="Permalink to this definition">¶</a></dt> 2190 <dd><p>A dictionary of space groups as ordered and named in the pre-2002 International 2191 Tables Volume A, except that spaces are used following the GSAS convention to 2192 separate the different crystallographic directions. 2193 Note that the symmetry codes here will recognize many non-standard space group 2194 symbols with different settings. They are ordered by Laue group</p> 2195 </dd></dl> 2196 2197 <dl class="function"> 2198 <dt id="GSASIIspc.splitSSsym"> 2199 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">splitSSsym</tt><big>(</big><em>SSymbol</em><big>)</big><a class="reference internal" href="_modules/GSASIIspc.html#splitSSsym"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIspc.splitSSsym" title="Permalink to this definition">¶</a></dt> 2200 <dd><p>Splits supersymmetry symbol into two lists of strings</p> 2201 </dd></dl> 2202 2203 <dl class="data"> 2204 <dt id="GSASIIspc.ssdict"> 2205 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">ssdict</tt><em class="property"> = {'F m 2 m': ['(0b0)', '(0b0)0ss', '(0b0)ss0', '(0b0)s0s', '(0b1)', '(0b1)s0s', '(0b1)0ss', '(1b0)', '(1b0)s0s', '(1b0)ss0', '(00g)', '(00g)s00', '(01g)', '(01g)s00', '(a00)', '(a00)00s', '(a10)', '(a10)00s'], 'P m 2 m': ['(0b0)', '(0b0)ss0', '(0b0)0ss', '(0b0)s0s', '(0b1/2)', '(0b1/2)ss0', '(1/2b0)', '(1/2b0)0ss', '(1/2b1/2)', '(00g)', '(00g)s00', '(1/20g)', '(01/2g)', '(01/2g)s00', '(1/21/2g)', '(a00)', '(a00)0s0', '(a01/2)', '(a01/2)0s0', '(a1/20)', '(a1/21/2)'], 'P n n a': ['(00g)', '(00g)s00', '(00g)0s0', '(a00)', '(a00)00s', '(0b0)', '(0b0)00s', '(a1/21/2)', '(1/2b1/2)'], 'P m 2 a': ['(0b0)', '(0b0)s0s', '(0b0)ss0', '(0b0)0ss', '(0b1/2)', '(0b1/2)s0s', '(01/2g)', '(01/2g)s00', '(a1/20)', '(a00)', '(00g)', '(00g)0s0', '(a01/2)', '(a1/21/2)'], 'P n n m': ['(00g)', '(00g)s00', '(00g)0s0', '(a00)', '(a00)00s', '(0b0)', '(0b0)00s'], 'B b a 2': [], 'P c m a': ['(0b0)', '(0b0)s00', '(0b0)00s', '(0b0)s0s', '(a00)', '(a00)0s0', '(a1/20)', '(00g)', '(00g)0s0', '(01/2g)'], 'P c m b': [], 'I 41 c d': ['(00g)', '(00g)ss0'], 'P 4 b m': ['(00g)', '(00g)ss0', '(00g)0ss', '(00g)s0s', '(1/21/2g)qq0', '(1/21/2g)qqs'], 'P c m n': ['(00g)', '(00g)0s0', '(a00)', '(a00)0s0', '(0b0)', '(0b0)s00'], 'P 4/n m m': ['(00g)', '(00g)s0s0', '(00g)00ss', '(00g)s00s'], 'A 21 a m': ['(a00)', '(a00)s0s', '(a01)', '(a01)s0s', '(0b0)', '(0b0)00s', '(00g)', '(00g)0s0'], 'C c c a': ['(00g)', '(00g)s00', '(10g)', '(01g)', '(10g)s00', '(01g)s00', '(a00)', '(a00)s00', '(a00)ss0', '(a00)0s0', '(0b0)', '(0b0)s00', '(0b0)ss0', '(0b0)0s0'], 'C c c b': ['(00g)', '(00g)ss0', '(01g)', '(10g)', '(01g)s00', '(10g)s00', '(0b0)', '(0b0)s00', '(0b0)ss0', '(0b0)0s0', '(a00)', '(a00)s00', '(a00)ss0', '(a00)0s0'], 'I 41 m d': ['(00g)', '(00g)ss0'], 'C c c m': [], 'F 2 d d': ['(a00)', '(a00)s0s', '(a00)ss0', '(00g)', '(0b0)'], 'P m a b': [], 'P n n 2': ['(00g)', '(00g)s0s', '(00g)0ss', '(1/21/2g)qq0', '(a00)', '(a1/21/2)0q0', '(a1/21/2)00q', '(0b0)', '(1/2b1/2)q00', '(1/2b1/2)00q'], 'B b 2 b': ['(0b0)', '(0b0)0ss', '(0b0)ss0', '(0b1)', '(0b1)0ss', '(0b1)ss0', '(1b0)', '(1b0)0ss', '(1b0)ss0', '(a00)', '(a00)00s', '(00g)', '(00g)s00'], 'B b a b': ['(0b0)', '(0b0)s00', '(1b0)', '(0b1)', '(1b0)s00', '(0b1)s00', '(a00)', '(a00)s00', '(a00)ss0', '(a00)0s0', '(00g)', '(00g)s00', '(00g)ss0', '(00g)0s0'], 'P -3': ['(00g)', '(1/31/3g)'], 'P -1': ['(abg)'], 'P -6': ['(00g)'], 'C c c 2': ['(00g)', '(00g)s0s', '(00g)0ss', '(10g)', '(10g)s0s', '(10g)0ss', '(01g)', '(01g)s0s', '(01g)0ss', '(a00)', '(a00)0s0', '(0b0)', '(0b0)s00'], 'P -4': ['(00g)', '(1/21/2g)'], 'B 2 m b': [], 'C m 2 a': [], 'P m c b': ['(a00)', '(a00)0s0', '(a00)00s', '(a00)0ss', '(0b0)', '(0b0)s00', '(1/2b0)', '(00g)', '(00g)s00', '(1/20g)'], 'P 63/m m c': ['(00g)', '(00g)00ss'], 'P m c m': [], 'C m 2 m': [], 'P m c n': ['(00g)', '(00g)s00', '(a00)', '(a00)0s0', '(0b0)', '(0b0)s00'], 'P 21 c a': [], 'P b n m': ['(00g)', '(00g)s00', '(a00)', '(a00)00s', '(0b0)', '(0b0)00s'], 'P b n b': ['(0b0)', '(0b0)s00', '(0b0)00s', '(a00)', '(a00)00s', '(00g)', '(00g)s00'], 'P 21 c n': [], 'P m a n': [], 'P n m m': ['(a00)', '(a00)0s0', '(a00)00s', '(a00)0ss', '(00g)', '(00g)0s0', '(1/20g)', '(1/20g)0s0', '(0b0)', '(0b0)00s', '(1/2b0)', '(1/2b0)00s'], 'P n m n': ['(00g)', '(00g)0s0', '(a00)', '(a00)0s0', '(0b0)', '(0b0)s00', '(0b0)00s'], 'P n m a': ['(00g)', '(00g)0s0', '(a00)', '(a00)0s0', '(0b0)', '(0b0)00s'], 'P n m b': [], 'I -4': ['(00g)'], 'P c m m': [], 'R 3': ['(00g)', '(00g)t'], 'P 21 m n': [], 'A c a a': ['(a00)', '(a00)ss0', '(a01)', '(a10)', '(a01)s00', '(a10)s00', '(00g)', '(00g)s00', '(00g)ss0', '(00g)0s0', '(0b0)', '(0b0)s00', '(0b0)ss0', '(0b0)0s0'], 'A c a m': [], 'P 21 m a': ['(a00)', '(a00)ss0', '(a01/2)', '(a01/2)ss0', '(a1/20)', '(a1/21/2)', '(0b0)', '(0b0)00s', '(1/2b0)', '(00g)', '(00g)0s0', '(01/2g)'], 'I 4/m m m': ['(00g)', '(00g)s0s0', '(00g)00ss', '(00g)s00s'], 'P 21 2 2': ['(a00)', '(a01/2)', '(a1/20)', '(a1/21/2)', '(0b0)', '(0b0)0s0', '(1/2b0)', '(00g)', '(00g)00s', '(1/20g)'], 'C m c 21': ['(00g)', '(00g)s0s', '(10g)', '(10g)s0s', '(a00)', '(a00)0s0', '(0b0)', '(0b0)s00'], 'P 42/m n m': ['(00g)', '(00g)00ss'], 'P 4/n b m': ['(00g)', '(00g)s0s0', '(00g)00ss', '(00g)s00s', '(1/21/2g)', '(1/21/2g)00ss'], 'P 4 m m': ['(00g)', '(00g)ss0', '(00g)0ss', '(00g)s0s', '(1/21/2g)', '(1/21/2g)0ss'], 'R -3 m': ['(00g)', '(00g)0s'], 'R -3 c': ['(00g)'], 'P 21/m': ['(a0g)', '(a0g)0s', '(0b0)', '(0b0)s0', '(1/2b0)', '(0b1/2)'], 'P 21/n': ['(a0g)', '(0b0)', '(1/2b1/2)'], 'P 21/a': ['(a0g)', '(0b0)', '(0b1/2)'], 'P 21/c': ['(a0g)', '(0b0)', '(1/2b0)'], 'I m m 2': ['(00g)', '(00g)ss0', '(00g)s0s', '(00g)0ss', '(a00)', '(a00)0s0', '(0b0)', '(0b0)s00'], 'B 2 c m': [], 'B 2 c b': [], 'P c 21 b': [], 'P c 21 n': [], 'P 42/m m c': ['(00g)', '(00g)s0s0', '(1/21/2g)'], 'P 65 2 2': ['(00g)'], 'P b 2 b': ['(0b0)', '(0b0)0ss', '(0b0)ss0', '(1/2b0)', '(0b1/2)', '(1/2b1/2)', '(00g)', '(00g)s00', '(1/20g)', '(a00)', '(a00)00s', '(a01/2)'], 'P 42 21 2': ['(00g)', '(00g)q00'], 'P b 2 n': [], 'B m m 2': [], 'P 3 m 1': ['(00g)', '(00g)0s0'], 'P 42/m': ['(00g)', '(1/21/2g)'], 'P m c 21': ['(00g)', '(00g)s0s', '(01/2g)', '(01/2g)s0s', '(1/20g)', '(1/21/2g)', '(a00)', '(a00)0s0', '(a1/20)', '(0b0)', '(0b0)s00', '(0b1/2)'], 'P 42/n': ['(00g)', '(1/21/2g)'], 'A 21 2 2': ['(a00)', '(a10)', '(a01)', '(0b0)', '(0b0)0s0', '(00g)', '(00g)00s'], 'B m m m': [], 'P -6 2 c': ['(00g)'], 'B m m b': [], 'P 2 n n': ['(a00)', '(a00)ss0', '(a00)s0s', '(a1/21/2)0qq', '(0b0)', '(1/2b1/2)q00', '(1/2b1/2)00q', '(00g)', '(1/21/2b)0q0', '(1/21/2g)q00'], 'P 2 n a': [], 'I 41/a c d': ['(00g)', '(00g)s0s0'], 'A c 2 m': [], 'A c 2 a': [], 'F 2 m m': ['(a00)', '(a00)ss0', '(a00)s0s', '(a00)0ss', '(a10)', '(a10)0ss', '(a10)ss0', '(a01)', '(a01)0ss', '(a01)s0s', '(0b0)', '(0b0)00s', '(1b0)', '(1b0)00s', '(00g)', '(00g)0s0', '(10g)', '(10g)0s0'], 'P 31 1 2': ['(00g)', '(1/31/3g)'], 'P 41 21 2': ['(00g)'], 'P b m 2': ['(00g)', '(00g)s0s', '(00g)ss0', '(00g)0ss', '(1/20g)', '(1/20g)s0s', '(a01/2)', '(a01/2)s00', '(0b1/2)', '(0b0)', '(a00)', '(a00)0s0', '(1/2b0)', '(1/2b1/2)'], 'C 2/m': ['(a0g)', '(a0g)0s', '(0b0)', '(0b0)s0', '(0b1/2)'], 'C 2/n': ['(a0g)', '(0b0)', '(0b0)s0'], 'C 2/c': ['(a0g)', '(0b0)', '(0b0)s0'], 'P 6/m c c': ['(00g)', '(00g)s00s'], 'I c a b': ['(00g)', '(00g)s00', '(00g)0s0', '(00g)ss0', '(a00)', '(a00)0s0', '(a00)00s', '(a00)0ss', '(0b0)', '(0b0)s00', '(0b0)00s', '(0b0)s0s'], 'P 63 m c': ['(00g)', '(00g)0ss'], 'P 2 m b': ['(a00)', '(a00)s0s', '(a00)ss0', '(a00)0ss', '(a01/2)', '(a01/2)s0s', '(1/20g)', '(1/20g)s00', '(1/2b0)', '(0b0)', '(00g)', '(00g)0s0', '(0b1/2)', '(1/2b1/2)'], 'F d 2 d': ['(0b0)', '(0b0)0ss', '(0b0)ss0', '(a00)', '(00g)'], 'I m 2 m': ['(0b0)', '(0b0)s0s', '(0b0)0ss', '(0b0)ss0', '(00g)', '(00g)s00', '(a00)', '(a00)00s'], 'I m 2 a': ['(a00)', '(00g)0ss', '(00g)ss0', '(00g)s0s', '(0b0)', '(0b0)00s', '(00g)', '(00g)0s0'], 'P 2 m m': ['(a00)', '(a00)ss0', '(a00)s0s', '(a00)0ss', '(a01/2)', '(a01/2)ss0', '(a1/20)', '(a1/20)s0s', '(a1/21/2)', '(0b0)', '(0b0)00s', '(1/2b0)', '(0b1/2)', '(0b1/2)00s', '(1/2b1/2)', '(00g)', '(00g)0s0', '(01/2g)', '(01/2g)0s0', '(1/20g)', '(1/21/2g)'], 'P b m a': [], 'P b m b': ['(0b0)', '(0b0)00s', '(0b0)s00', '(0b1/2)', '(1/2b0)', '(1/2b1/2)', '(00g)', '(00g)s00', '(00g)0s0', '(00g)ss0', '(1/20g)', '(1/20g)0s0', '(a00)', '(a00)00s', '(a00)0s0', '(a00)0ss', '(a01/2)', '(a01/2)0s0'], 'P b m m': [], 'P b m n': [], 'I m a 2': ['(a00)', '(00g)0ss', '(00g)ss0', '(00g)s0s', '(0b0)', '(0b0)00s', '(00g)', '(00g)0s0'], 'P c m 21': ['(00g)', '(00g)0ss', '(1/20g)', '(1/20g)0ss', '(01/2g)', '(1/21/2g)', '(0b0)', '(0a0)s00', '(1/2b0)', '(a00)', '(a00)0s0', '(a01/2)'], 'P c a b': ['(00g)', '(00g)s00', '(00g)0s0', '(a00)', '(a00)0s0', '(a00)00s', '(0b0)', '(0b0)s00', '(0b0)00s'], 'P c': ['(a0g)', '(a1/2g)', '(0b0)', '(1/2b0)'], 'P a': ['(a0g)', '(a1/2g)', '(0b0)', '(0b1/2)'], 'I 4 c m': ['(00g)', '(00g)ss0', '(00g)0ss', '(00g)s0s'], 'I 41/a m d': ['(00g)', '(00g)s0s0'], 'I m a m': ['(00g)', '(00g)s00', '(00g)0s0', '(00g)ss0', '(a00)', '(a00)0s0', '(a00)00s', '(a00)0ss', '(0b0)', '(0b0)s00', '(0b0)00s', '(0b0)s0s'], 'P n': ['(a0g)', '(a1/2g)', '(0b0)', '(1/2b1/2)'], 'P m': ['(a0g)', '(a0g)s', '(a1/2g)', '(0b0)', '(1/2b0)', '(0b1/2)'], 'I 4 2 2': ['(00g)', '(00g)q00', '(00g)s00'], 'P 2 21 2': ['(0b0)', '(0b1/2)', '(1/2b0)', '(1/2b1/2)', '(00g)', '(00g)00s', '(1/20g)', '(a00)', '(a00)s00', '(a1/20)'], 'I b a 2': ['(00g)', '(00g)ss0', '(00g)s0s', '(00g)0ss', '(a00)', '(a00)0s0', '(0b0)', '(0b0)s00'], 'P 42/n b c': ['(00g)', '(00g)s0s0', '(1/21/2g)'], 'P 3': ['(00g)', '(00g)t', '(1/31/3g)'], 'P 2': ['(a0g)', '(a1/2g)', '(0b0)', '(0b0)s', '(1/2b0)', '(0b1/2)'], 'P 1': ['(abg)'], 'P 6': ['(00g)', '(00g)h', '(00g)t', '(00g)s'], 'P 4': ['(00g)', '(00g)q', '(00g)s', '(1/21/2g)', '(1/21/2g)q'], 'P 4/m c c': ['(00g)', '(00g)s0s0', '(1/21/2g)'], 'P 63': ['(00g)', '(00g)h'], 'P -3 c 1': ['(00g)'], 'I b a m': ['(00g)', '(00g)s00', '(00g)0s0', '(00g)ss0', '(a00)', '(a00)0s0', '(a00)00s', '(a00)0ss', '(0b0)', '(0b0)s00', '(0b0)00s', '(0b0)s0s'], 'P -4 2 m': ['(00g)', '(00g)0ss', '(1/21/2g)', '(1/21/2g)0ss'], 'P -4 2 c': ['(00g)', '(1/21/2g)'], 'B m a b': [], 'I 2 2 2': ['(00g)', '(00g)00s', '(a00)', '(a00)s00', '(0b0)', '(0b0)0s0'], 'P c n m': [], 'P c n b': ['(00g)', '(00g)s00', '(00g)0s0', '(a00)', '(a00)0s0', '(a00)00s', '(0b0)', '(0b0)s00', '(0b0)00s'], 'P c n a': ['(0b0)', '(0b0)s00', '(0b0)00s', '(0b0)s0s', '(1/2b1/2)', '(00g)', '(00g)s00', '(01/2a)', '(a00)', '(a00)00s', '(a1/20)'], 'B m a m': [], 'P 6 2 2': ['(00g)', '(00g)h00', '(00g)t00', '(00g)s00'], 'P 4/n c c': ['(00g)', '(00g)s0s0'], 'P n n b': ['(00g)', '(00g)s00', '(00g)0s0', '(a00)', '(a00)00s', '(0b0)', '(0b0)00s', '(a1/21/2)', '(1/2b1/2)'], 'P m c a': [], 'P 2 c b': ['(a00)', '(a00)ss0', '(a00)s0s', '(a00)0ss', '(a1/21/2)0qq', '(0b0)', '(1/2b0)', '(00g)', '(1/20g)'], 'P 4/m n c': ['(00g)', '(00g)s0s0'], 'I m m m': ['(00g)', '(00g)s00', '(00g)ss0', '(a00)', '(a00)0s0', '(a00)ss0', '(0b0)', '(0b0)s00', '(0b0)ss0'], 'P 42/n m c': ['(00g)', '(00g)s0s0'], 'P 63 c m': ['(00g)', '(00g)0ss'], 'P n a a': ['(a00)', '(a00)0s0', '(a00)00s', '(0b0)', '(0b0)00s', '(00g)', '(00g)0s0'], 'P n a b': ['(00g)', '(00g)s00', '(00g)0s0', '(a00)', '(a00)0s0', '(a00)00s', '(0b0)', '(0b0)s00', '(0b0)00s'], 'A c m m': [], 'P n a m': ['(00g)', '(00g)0s0', '(a00)', '(a00)00s', '(0b0)', '(0b0)00s'], 'P n a n': ['(0b0)', '(0b0)s00', '(0b0)00s', '(00g)', '(00g)0s0', '(a00)', '(a00)0s0', '(1/21/2g)', '(a1/21/2)'], 'B m a 2': [], 'P -6 2 m': ['(00g)', '(00g)00s'], 'P c n 2': [], 'B m 2 m': ['(0b0)', '(0b0)s0s', '(0b0)0ss', '(0b0)ss0', '(1b0)', '(1b0)s0s', '(1b0)0ss', '(1b0)ss0', '(0b1)', '(0b1)s0s', '(0b1)0ss', '(0b1)ss0', '(a00)', '(a00)00s', '(a01/2)', '(a01/2)00s', '(00g)', '(00g)s00', '(1/20g)', '(1/20g)s00'], 'I m m b': ['(00g)', '(00g)s00', '(00g)0s0', '(00g)ss0', '(a00)', '(a00)0s0', '(a00)00s', '(a00)0ss', '(0b0)', '(0b0)s00', '(0b0)00s', '(0b0)s0s'], 'P 63/m c m': ['(00g)', '(00g)00ss'], 'I m m a': ['(00g)', '(00g)s00', '(00g)0s0', '(00g)ss0', '(a00)', '(a00)0s0', '(a00)00s', '(a00)0ss', '(0b0)', '(0b0)s00', '(0b0)00s', '(0b0)s0s'], 'B b m b': [], 'P 21 n m': [], 'B b m m': [], 'P 2 c m': ['(a00)', '(a00)s0s', '(a00)ss0', '(a00)0ss', '(a1/20)', '(a1/20)s0s', '(1/2b0)', '(1/2b0)s00', '(1/20g)', '(00g)', '(0b0)', 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'(0b0)s0s'], 'P m a m': [], 'I 4/m': ['(00g)', '(00g)s0'], 'P 4 c c': ['(00g)', '(00g)ss0', '(1/21/2g)'], 'P -6 m 2': ['(00g)', '(00g)0s0'], 'I 4/m c m': ['(00g)', '(00g)s0s0', '(00g)00ss', '(00g)s00s'], 'A 2 m m': ['(a00)', '(a00)s0s', '(a00)0ss', '(a00)ss0', '(a10)', '(a10)s0s', '(a10)0ss', '(a10)ss0', '(a01)', '(a01)s0s', '(a01)0ss', '(a01)ss0', '(0b0)', '(0b0)00s', '(1/2b0)', '(1/2b0)00s', '(00g)', '(00g)0s0', '(01/2g)', '(01/2g)0s0'], 'P b c m': [], 'P 31': ['(00g)', '(1/31/3g)'], 'P 32': ['(00g)', '(1/31/3g)'], 'P c a 21': ['(00g)', '(00g)0ss', '(01/2g)', '(1/20g)', '(a00)', '(a00)0s0', '(a1/20)', '(0b0)', '(0b0)s00', '(1/2b0)'], 'I 4': ['(00g)', '(00g)q', '(00g)s'], 'P 21 2 21': ['(0b0)', '(0b0)0s0', '(00g)', '(01/2g)', '(a00)', '(a01/2)'], 'P 42/m b c': ['(00g)', '(00g)s0s0'], 'P n 2 n': ['(0b0)', '(0b0)ss0', '(0b0)0ss', '(1/2b1/2)q0q', '(00g)', '(1/21/2g)0q0', '(1/21/2g)q00', '(a00)', '(a1/21/2)00q', '(b1/21/2)0q0'], 'P n 2 b': [], 'P 4/m': ['(00g)', '(00g)s0', '(1/21/2g)'], 'P 4/n': ['(00g)', '(00g)s0', '(1/21/2g)'], 'A m a m': [], 'P 21 21 21': ['(00g)', '(a00)', '(0b0)'], 'P 2/n': ['(a0g)', '(a0g)0s', '(a1/2g)', '(0b0)', '(0b0)s0', '(1/2b1/2)'], 'P m 21 n': [], 'P 2/m': ['(a0g)', '(a0g)0s', '(a1/2g)', '(0b0)', '(0b0)s0', '(1/2b0)', '(0b1/2)'], 'P 2/c': ['(a0g)', '(a0g)0s', '(a1/2g)', '(0b0)', '(0b0)s0', '(1/2b0)'], 'P m 21 b': ['(a00)', '(a00)ss0', '(a01/2)', '(a01/2)ss0', '(a1/20)', '(a1/21/2)', '(00g)', '(00g)0s0', '(01/2g)', '(0b0)', '(0b0)s00', '(0b1/2)'], 'P 2/a': ['(a0g)', '(a0g)0s', '(a1/2g)', '(0b0)', '(0b0)s0', '(0b1/2)'], 'P b n 21': [], 'P 61 2 2': ['(00g)'], 'P b a m': ['(00g)', '(00g)s00', '(00g)0s0', '(00g)ss0', '(a00)', '(a00)00s', '(a01/2)', '(0b0)', '(0b0)00s', '(0b1/2)'], 'P b a n': ['(00g)', '(00g)s00', '(00g)0s0', '(00g)ss0', '(1/21/2g)', '(a00)', '(a00)0s0', '(a01/2)', '(0b0)', '(0b0)s00', '(0b1/2)'], 'B 2 2 2': ['(0b0)', '(0b0)0s0', '(1b0)', '(1b0)0s0', '(0b1)', '(0b1)0s0', '(00g)', '(00g)00s', '(01/2g)', '(a00)', '(a00)s00', '(a01/2)'], 'C c m b': [], 'P b a a': [], 'P b a b': [], 'C 2 2 2': ['(00g)', '(00g)00s', '(10g)', '(10g)00s', '(01g)', '(01g)00s', '(a00)', '(a00)s00', '(a01/2)', '(0b0)', '(0b0)0s0', '(0b1/2)'], 'I -4 m 2': ['(00g)', '(00g)0s0'], 'I 21 21 21': ['(00g)', '(00g)00s', '(a00', '(a00)s00', '(0b0)', '(0b0)0s0'], 'P 43 2 2': ['(00g)', '(1/21/2g)'], 'A m a 2': [], 'I -4 c 2': ['(00g)', '(00g)0s0'], 'P b a 2': ['(00g)', '(00g)s0s', '(00g)0ss', '(00g)ss0', '(1/21/2g)qq0', '(a00)', '(a01/2)', '(0b0)', '(0b1/2)'], 'P 63 2 2': ['(00g)', '(00g)h00'], 'A b m m': [], 'A b m a': [], 'A m 2 a': [], 'P n m 21': [], 'B b 21 m': ['(0b0)', '(0b0)0ss', '(0b1)', '(0b1)ss0', '(a00)', '(a00)00s', '(00g)', '(00g)s00'], 'A m 2 m': [], 'P 4/n n c': ['(00g)', '(00g)s0s0', '(1/21/2g)'], 'P 64 2 2': ['(00g)', '(00g)h00'], 'P n a 21': [], 'P 42 b c': ['(00g)', '(00g)ss0', '(1/21/2g)qq0'], 'P 32 1 2': ['(00g)', '(1/31/3g)'], 'A b m 2': [], 'P -4 21 c': ['(00g)'], 'P 6/m m m': ['(00g)', '(00g)s0s0', '(00g)00ss', '(00g)s00s'], 'P -4 21 m': ['(00g)', '(00g)0ss'], 'P 6/m': ['(00g)', '(00g)s0'], 'P -6 c 2': ['(00g)'], 'P 2 a n': [], 'P 2 a a': ['(a00)', '(a00)ss0', '(a00)s0s', '(a01/2)', '(a1/20)', '(a1/21/2)', '(0b0)', '(0b0)00s', '(0b1/2)', '(00g)', '(00g)0s0', '(01/2g)'], 'P c a m': [], 'P c a n': ['(00g)', '(00g)s00', '(00g)0s0', '(a00)', '(a00)0s0', '(a00)00s', '(0b0)', '(0b0)s00', '(0b0)00s'], 'P c a a': [], 'P 4 n c': ['(00g)', '(00g)ss0', '(1/21/2g)qq0'], 'P 2 2 2': ['(00g)', '(00g)00s', '(01/2g)', '(1/20g)', '(1/21/2g)', '(a00)', '(a00)s00', '(a01/2)', '(a1/20)', '(a1/21/2)', '(0b0)', '(0b0)0s0', '(1/2b0)', '(0b1/2)', '(1/2b1/2)'], 'P 3 2 1': ['(00g)', '(00g)t00'], 'P b c 21': [], 'P c n n': ['(a00)', '(a00)0s0', '(a00)00s', '(0b0)', '(0b0)s00', '(00g)', '(00g)s00', '(1/2b1/2)', '(1/21/2g)'], 'C 2 2 21': ['(00g)', '(10g)', '(01g)', '(a00)', '(a00)s00', '(0b0)', '(0b0)0s0'], 'P 31 2 1': ['(00g)'], 'P m a 2': ['(00g)', '(00g)s0s', '(00g)ss0', '(00g)0ss', '(01/2g)', '(01/2g)s0s', '(0b1/2)', '(0b1/2)s00', '(a01/2)', '(a00)', '(0b0)', '(0b0)0s0', '(a1/20)', '(a1/21/2)'], 'B 2 m m': [], 'P 21 21 2': ['(00g)', '(00g)00s', '(a00)', '(a01/2)', '(0b0)', '(0b1/2)'], 'P 41 2 2': ['(00g)', '(1/21/2g)'], 'P 4/m m m': ['(00g)', '(00g)s0s0', '(00g)00ss', '(00g)s00s', '(1/21/2g)', '(1/21/2g)s0s0', '(1/21/2g)00ss', '(1/21/2g)s00s'], 'P -4 n 2': ['(00g)', '(1/21/2g)0q0'], 'P 6 c c': ['(00g)', '(00g)s0s'], 'B 2 21 2': ['(0b0)', '(1b0)', '(0b1)', '(00g)', '(00g)00s', '(a00)', '(a00)s00'], 'P -4 c 2': ['(00g)', '(1/21/2g)'], 'A b a 2': [], 'I b c a': ['(00g)', '(00g)s00', '(00g)0s0', '(00g)ss0', '(a00)', '(a00)0s0', '(a00)00s', '(a00)0ss', '(0b0)', '(0b0)s00', '(0b0)00s', '(0b0)s0s'], 'P 2 21 21': ['(a00)', '(a00)s00', '(0b0)', '(0b1/2)', '(00g)', '(01/2g)'], 'B m c m': [], 'I 2 c m': ['(0b0)', '(0b0)s0s', '(0b0)0ss', '(0b0)ss0', '(00g)', '(00g)s00', '(a00)', '(a00)00s'], 'F 2 2 2': ['(00g)', '(00g)00s', '(10g)', '(01g)', '(a00)', '(a00)s00', '(a10)', '(a01)', '(0b0)', '(0b0)0s0', '(1b0)', '(0b1)'], 'I 2 c b': ['(0b0)', '(0b0)s0s', '(0b0)0ss', '(0b0)ss0', '(00g)', '(00g)s00', '(a00)', '(a00)00s'], 'P n c 2': [], 'I b m m ': ['(00g)', '(00g)s00', '(00g)0s0', '(00g)ss0', '(a00)', '(a00)0s0', '(a00)00s', '(a00)0ss', '(0b0)', '(0b0)s00', '(0b0)00s', '(0b0)s0s'], 'A 2 2 2': ['(a00)', '(a00)s00', '(a10)', '(a10)s00', '(a01)', '(a01)s00', '(0b0)', '(0b0)0s0', '(0b1/2)', '(00g)', '(00g)00s', '(01/2g)'], 'P 6 m m': ['(00g)', '(00g)ss0', '(00g)0ss', '(00g)s0s'], 'P 32 2 1': ['(00g)'], 'B m 21 b': ['(0b0)', '(0b0)ss0', '(1b0)', '(1b0)ss0', '(a00)', '(a00)00s', '(00g)', '(00g)s00'], 'P m n 21': [], 'P n c b': ['(a00)', '(a00)0s0', '(a00)00s', '(a00)0ss', '(a1/21/2)', '(0b0)', '(0b0)00s', '(1/2b0)', '(00g)', '(00g)0s0', '(1/20g)'], 'P n c a': ['(00g)', '(00g)s00', '(00g)0s0', '(a00)', '(a00)0s0', '(a00)00s', '(0b0)', '(0b0)s00', '(0b0)00s'], 'P 41': ['(00g)', '(1/21/2g)'], 'P 42': ['(00g)', '(00g)q', '(1/21/2g)', '(1/21/2g)q'], 'P 43': ['(00g)', '(1/21/2g)'], 'P n c n': ['(0b0)', '(0b0)s00', '(0b0)00s', '(00g)', '(00g)0s0', '(a00)', '(a00)0s0', '(1/21/2g)', '(a1/21/2)'], 'P n c m': []}</em><a class="headerlink" href="#GSASIIspc.ssdict" title="Permalink to this definition">¶</a></dt> 2206 <dd><p>A dictionary of superspace group symbols allowed for each entry in spglist 2207 (except cubics). Monoclinics are all b-unique setting.</p> 1852 2208 </dd></dl> 1853 2209 … … 1861 2217 <dt id="GSASIIspc.test1"> 1862 2218 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">test1</tt><big>(</big><big>)</big><a class="reference internal" href="_modules/GSASIIspc.html#test1"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIspc.test1" title="Permalink to this definition">¶</a></dt> 1863 <dd><p>self-test #1: SpcGroup a nd SGPrint against previous results</p>2219 <dd><p>self-test #1: SpcGroup against previous results</p> 1864 2220 </dd></dl> 1865 2221
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