| 466 | |
| 467 | <span class="c">################################################################################</span> |
| 468 | <span class="c">#### Superspace group codes</span> |
| 469 | <span class="c">################################################################################</span> |
| 470 | </div> |
| 471 | <div class="viewcode-block" id="SSpcGroup"><a class="viewcode-back" href="../GSASIIutil.html#GSASIIspc.SSpcGroup">[docs]</a><span class="k">def</span> <span class="nf">SSpcGroup</span><span class="p">(</span><span class="n">SGData</span><span class="p">,</span><span class="n">SSymbol</span><span class="p">):</span> |
| 472 | <span class="sd">"""</span> |
| 473 | <span class="sd"> Determines supersymmetry information from superspace group name; currently only for (3+1) superlattices</span> |
| 474 | |
| 475 | <span class="sd"> :param SGData: space group data structure as defined in SpcGroup above.</span> |
| 476 | <span class="sd"> :param SSymbol: superspace group symbol extension (string) defining modulation direction & generator info.</span> |
| 477 | <span class="sd"> :returns: (SSGError,SSGData)</span> |
| 478 | <span class="sd"> </span> |
| 479 | <span class="sd"> * SGError = 0 for no errors; >0 for errors (see SGErrors below for details)</span> |
| 480 | <span class="sd"> * SSGData - is a dict (see :ref:`Superspace Group object<SSGData_table>`) with entries:</span> |
| 481 | <span class="sd"> </span> |
| 482 | <span class="sd"> * 'SSpGrp': superspace group symbol extension to space group symbol, accidental spaces removed</span> |
| 483 | <span class="sd"> * 'SSGCen': 4D cell centering vectors [0,0,0,0] at least</span> |
| 484 | <span class="sd"> * 'SSGOps': 4D symmetry operations as [M,T] so that M*x+T = x'</span> |
| 485 | |
| 486 | <span class="sd"> """</span> |
| 487 | |
| 488 | <span class="k">def</span> <span class="nf">checkModSym</span><span class="p">():</span> |
| 489 | <span class="sd">''' </span> |
| 490 | <span class="sd"> Checks to see if proposed modulation form is allowed for Laue group</span> |
| 491 | <span class="sd"> '''</span> |
| 492 | <span class="k">if</span> <span class="n">LaueId</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">0</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">LaueModId</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">0</span><span class="p">,]:</span> |
| 493 | <span class="k">return</span> <span class="bp">True</span> |
| 494 | <span class="k">elif</span> <span class="n">LaueId</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">1</span><span class="p">,]:</span> |
| 495 | <span class="k">try</span><span class="p">:</span> |
| 496 | <span class="k">if</span> <span class="n">modsym</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">'1/2'</span><span class="p">)</span> <span class="o">!=</span> <span class="p">[</span><span class="s">'A'</span><span class="p">,</span><span class="s">'B'</span><span class="p">,</span><span class="s">'C'</span><span class="p">]</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">SGData</span><span class="p">[</span><span class="s">'SGLatt'</span><span class="p">]):</span> |
| 497 | <span class="k">return</span> <span class="bp">False</span> |
| 498 | <span class="k">if</span> <span class="s">'I'</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">SGData</span><span class="p">[</span><span class="s">'SGLatt'</span><span class="p">])</span> <span class="ow">and</span> <span class="n">modsym</span><span class="o">.</span><span class="n">count</span><span class="p">(</span><span class="s">'1/2'</span><span class="p">)</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">2</span><span class="p">]:</span> |
| 499 | <span class="k">return</span> <span class="bp">False</span> |
| 500 | <span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span> |
| 501 | <span class="k">pass</span> |
| 502 | <span class="k">if</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGUniq'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'a'</span> <span class="ow">and</span> <span class="n">LaueModId</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">5</span><span class="p">,</span><span class="mi">6</span><span class="p">,</span><span class="mi">7</span><span class="p">,</span><span class="mi">8</span><span class="p">,</span><span class="mi">9</span><span class="p">,</span><span class="mi">10</span><span class="p">,]:</span> |
| 503 | <span class="k">return</span> <span class="bp">True</span> |
| 504 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGUniq'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'b'</span> <span class="ow">and</span> <span class="n">LaueModId</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">13</span><span class="p">,</span><span class="mi">14</span><span class="p">,</span><span class="mi">15</span><span class="p">,</span><span class="mi">16</span><span class="p">,]:</span> |
| 505 | <span class="k">return</span> <span class="bp">True</span> |
| 506 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGUniq'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'c'</span> <span class="ow">and</span> <span class="n">LaueModId</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">19</span><span class="p">,</span><span class="mi">20</span><span class="p">,</span><span class="mi">21</span><span class="p">,</span><span class="mi">22</span><span class="p">,]:</span> |
| 507 | <span class="k">return</span> <span class="bp">True</span> |
| 508 | <span class="k">elif</span> <span class="n">LaueId</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">2</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">LaueModId</span> <span class="ow">in</span> <span class="p">[</span><span class="n">i</span><span class="o">+</span><span class="mi">7</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">18</span><span class="p">)]:</span> |
| 509 | <span class="k">try</span><span class="p">:</span> |
| 510 | <span class="k">if</span> <span class="n">modsym</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">'1/2'</span><span class="p">)</span> <span class="o">!=</span> <span class="p">[</span><span class="s">'A'</span><span class="p">,</span><span class="s">'B'</span><span class="p">,</span><span class="s">'C'</span><span class="p">]</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">SGData</span><span class="p">[</span><span class="s">'SGLatt'</span><span class="p">]):</span> |
| 511 | <span class="k">return</span> <span class="bp">False</span> |
| 512 | <span class="k">if</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGLatt'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'I'</span><span class="p">,</span><span class="s">'F'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">modsym</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">'1/2'</span><span class="p">):</span> |
| 513 | <span class="k">return</span> <span class="bp">False</span> |
| 514 | <span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span> |
| 515 | <span class="k">pass</span> |
| 516 | <span class="k">return</span> <span class="bp">True</span> |
| 517 | <span class="k">elif</span> <span class="n">LaueId</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">LaueModId</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">19</span><span class="p">,</span><span class="mi">22</span><span class="p">,]:</span> |
| 518 | <span class="k">try</span><span class="p">:</span> |
| 519 | <span class="k">if</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGLatt'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'I'</span> <span class="ow">and</span> <span class="n">modsym</span><span class="o">.</span><span class="n">count</span><span class="p">(</span><span class="s">'1/2'</span><span class="p">):</span> |
| 520 | <span class="k">return</span> <span class="bp">False</span> |
| 521 | <span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span> |
| 522 | <span class="k">pass</span> |
| 523 | <span class="k">return</span> <span class="bp">True</span> |
| 524 | <span class="k">elif</span> <span class="n">LaueId</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">7</span><span class="p">,</span><span class="mi">8</span><span class="p">,</span><span class="mi">9</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">LaueModId</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">19</span><span class="p">,</span><span class="mi">25</span><span class="p">,]:</span> |
| 525 | <span class="k">if</span> <span class="p">(</span><span class="n">SGData</span><span class="p">[</span><span class="s">'SGLatt'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'R'</span> <span class="ow">or</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'3m1'</span><span class="p">,</span><span class="s">'-3m1'</span><span class="p">])</span> <span class="ow">and</span> <span class="n">modsym</span><span class="o">.</span><span class="n">count</span><span class="p">(</span><span class="s">'1/3'</span><span class="p">):</span> |
| 526 | <span class="k">return</span> <span class="bp">False</span> |
| 527 | <span class="k">return</span> <span class="bp">True</span> |
| 528 | <span class="k">elif</span> <span class="n">LaueId</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">10</span><span class="p">,</span><span class="mi">11</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">LaueModId</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">19</span><span class="p">,]:</span> |
| 529 | <span class="k">return</span> <span class="bp">True</span> |
| 530 | <span class="k">return</span> <span class="bp">False</span> |
| 531 | |
| 532 | <span class="k">def</span> <span class="nf">fixMonoOrtho</span><span class="p">():</span> |
| 533 | <span class="n">mod</span> <span class="o">=</span> <span class="s">''</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">modsym</span><span class="p">)</span><span class="o">.</span><span class="n">replace</span><span class="p">(</span><span class="s">'1/2'</span><span class="p">,</span><span class="s">'0'</span><span class="p">)</span><span class="o">.</span><span class="n">replace</span><span class="p">(</span><span class="s">'1'</span><span class="p">,</span><span class="s">'0'</span><span class="p">)</span> |
| 534 | <span class="k">if</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'2'</span><span class="p">,</span><span class="s">'m'</span><span class="p">]:</span> <span class="c">#OK</span> |
| 535 | <span class="k">if</span> <span class="n">mod</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'a00'</span><span class="p">,</span><span class="s">'0b0'</span><span class="p">,</span><span class="s">'00g'</span><span class="p">]:</span> |
| 536 | <span class="n">result</span> <span class="o">=</span> <span class="p">[</span><span class="n">i</span><span class="o">*-</span><span class="mi">1</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SSGKl'</span><span class="p">]]</span> |
| 537 | <span class="k">else</span><span class="p">:</span> |
| 538 | <span class="n">result</span> <span class="o">=</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SSGKl'</span><span class="p">][:]</span> |
| 539 | <span class="k">if</span> <span class="s">'/'</span> <span class="ow">in</span> <span class="n">mod</span><span class="p">:</span> |
| 540 | <span class="k">return</span> <span class="p">[</span><span class="n">i</span><span class="o">*-</span><span class="mi">1</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="n">result</span><span class="p">]</span> |
| 541 | <span class="k">else</span><span class="p">:</span> |
| 542 | <span class="k">return</span> <span class="n">result</span> |
| 543 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'2/m'</span><span class="p">:</span> <span class="c">#OK</span> |
| 544 | <span class="k">if</span> <span class="n">mod</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'a00'</span><span class="p">,</span><span class="s">'0b0'</span><span class="p">,</span><span class="s">'00g'</span><span class="p">]:</span> |
| 545 | <span class="n">result</span> <span class="o">=</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SSGKl'</span><span class="p">][:]</span> |
| 546 | <span class="k">else</span><span class="p">:</span> |
| 547 | <span class="n">result</span> <span class="o">=</span> <span class="p">[</span><span class="n">i</span><span class="o">*-</span><span class="mi">1</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SSGKl'</span><span class="p">]]</span> |
| 548 | <span class="k">if</span> <span class="s">'/'</span> <span class="ow">in</span> <span class="n">mod</span><span class="p">:</span> |
| 549 | <span class="k">return</span> <span class="p">[</span><span class="n">i</span><span class="o">*-</span><span class="mi">1</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="n">result</span><span class="p">]</span> |
| 550 | <span class="k">else</span><span class="p">:</span> |
| 551 | <span class="k">return</span> <span class="n">result</span> |
| 552 | <span class="k">else</span><span class="p">:</span> <span class="c">#orthorhombic</span> |
| 553 | <span class="k">return</span> <span class="p">[</span><span class="o">-</span><span class="n">SSGKl</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="k">if</span> <span class="n">mod</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'a'</span><span class="p">,</span><span class="s">'b'</span><span class="p">,</span><span class="s">'g'</span><span class="p">]</span> <span class="k">else</span> <span class="n">SSGKl</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">3</span><span class="p">)]</span> |
| 554 | |
| 555 | <span class="k">def</span> <span class="nf">extendSSGOps</span><span class="p">(</span><span class="n">SSGOps</span><span class="p">):</span> |
| 556 | <span class="n">nOps</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="n">SSGOps</span><span class="p">)</span> |
| 557 | <span class="k">for</span> <span class="n">OpA</span> <span class="ow">in</span> <span class="n">SSGOps</span><span class="p">:</span> |
| 558 | <span class="n">OpAtxt</span> <span class="o">=</span> <span class="n">SSMT2text</span><span class="p">(</span><span class="n">OpA</span><span class="p">)</span> |
| 559 | <span class="k">if</span> <span class="s">'t'</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">OpAtxt</span><span class="p">:</span> |
| 560 | <span class="k">continue</span> |
| 561 | <span class="k">for</span> <span class="n">OpB</span> <span class="ow">in</span> <span class="n">SSGOps</span><span class="p">:</span> |
| 562 | <span class="n">OpBtxt</span> <span class="o">=</span> <span class="n">SSMT2text</span><span class="p">(</span><span class="n">OpB</span><span class="p">)</span> |
| 563 | <span class="k">if</span> <span class="s">'t'</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">OpBtxt</span><span class="p">:</span> |
| 564 | <span class="k">continue</span> |
| 565 | <span class="n">OpC</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="n">SGProd</span><span class="p">(</span><span class="n">OpB</span><span class="p">,</span><span class="n">OpA</span><span class="p">))</span> |
| 566 | <span class="n">OpC</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">%=</span> <span class="mf">1.</span> |
| 567 | <span class="n">OpCtxt</span> <span class="o">=</span> <span class="n">SSMT2text</span><span class="p">(</span><span class="n">OpC</span><span class="p">)</span> |
| 568 | <span class="c"># print OpAtxt.replace(' ','')+' * '+OpBtxt.replace(' ','')+' = '+OpCtxt.replace(' ','')</span> |
| 569 | <span class="k">for</span> <span class="n">k</span><span class="p">,</span><span class="n">OpD</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">SSGOps</span><span class="p">):</span> |
| 570 | <span class="n">OpDtxt</span> <span class="o">=</span> <span class="n">SSMT2text</span><span class="p">(</span><span class="n">OpD</span><span class="p">)</span> |
| 571 | <span class="k">if</span> <span class="s">'t'</span> <span class="ow">in</span> <span class="n">OpDtxt</span><span class="p">:</span> |
| 572 | <span class="k">continue</span> |
| 573 | <span class="c"># print ' ('+OpCtxt.replace(' ','')+' = ? '+OpDtxt.replace(' ','')+')'</span> |
| 574 | <span class="k">if</span> <span class="n">OpCtxt</span> <span class="o">==</span> <span class="n">OpDtxt</span><span class="p">:</span> |
| 575 | <span class="k">continue</span> |
| 576 | <span class="k">elif</span> <span class="n">OpCtxt</span><span class="o">.</span><span class="n">split</span><span class="p">(</span><span class="s">','</span><span class="p">)[:</span><span class="mi">3</span><span class="p">]</span> <span class="o">==</span> <span class="n">OpDtxt</span><span class="o">.</span><span class="n">split</span><span class="p">(</span><span class="s">','</span><span class="p">)[:</span><span class="mi">3</span><span class="p">]:</span> |
| 577 | <span class="k">if</span> <span class="s">'t'</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">OpDtxt</span><span class="p">:</span> |
| 578 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">k</span><span class="p">]</span> <span class="o">=</span> <span class="n">OpC</span> |
| 579 | <span class="c"># print k,' new:',OpCtxt.replace(' ','')</span> |
| 580 | <span class="k">break</span> |
| 581 | <span class="k">else</span><span class="p">:</span> |
| 582 | <span class="n">OpCtxt</span> <span class="o">=</span> <span class="n">OpCtxt</span><span class="o">.</span><span class="n">replace</span><span class="p">(</span><span class="s">' '</span><span class="p">,</span><span class="s">''</span><span class="p">)</span> |
| 583 | <span class="n">OpDtxt</span> <span class="o">=</span> <span class="n">OpDtxt</span><span class="o">.</span><span class="n">replace</span><span class="p">(</span><span class="s">' '</span><span class="p">,</span><span class="s">''</span><span class="p">)</span> |
| 584 | <span class="n">Txt</span> <span class="o">=</span> <span class="n">OpCtxt</span><span class="o">+</span><span class="s">' conflict with '</span><span class="o">+</span><span class="n">OpDtxt</span> |
| 585 | <span class="k">print</span> <span class="n">Txt</span> |
| 586 | <span class="k">return</span> <span class="bp">False</span><span class="p">,</span><span class="n">Txt</span> |
| 587 | <span class="k">return</span> <span class="bp">True</span><span class="p">,</span><span class="n">SSGOps</span> |
| 588 | |
| 589 | <span class="k">def</span> <span class="nf">findMod</span><span class="p">(</span><span class="n">modSym</span><span class="p">):</span> |
| 590 | <span class="k">for</span> <span class="n">a</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'a'</span><span class="p">,</span><span class="s">'b'</span><span class="p">,</span><span class="s">'g'</span><span class="p">]:</span> |
| 591 | <span class="k">if</span> <span class="n">a</span> <span class="ow">in</span> <span class="n">modSym</span><span class="p">:</span> |
| 592 | <span class="k">return</span> <span class="n">a</span> |
| 593 | |
| 594 | <span class="k">def</span> <span class="nf">genSSGOps</span><span class="p">():</span> |
| 595 | <span class="n">SSGOps</span> <span class="o">=</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">'SSGOps'</span><span class="p">][:]</span> |
| 596 | <span class="n">iFrac</span> <span class="o">=</span> <span class="p">{}</span> |
| 597 | <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">frac</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">]):</span> |
| 598 | <span class="k">if</span> <span class="n">frac</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'1/2'</span><span class="p">,</span><span class="s">'1/3'</span><span class="p">,</span><span class="s">'1/4'</span><span class="p">,</span><span class="s">'1/6'</span><span class="p">,</span><span class="s">'1'</span><span class="p">]:</span> |
| 599 | <span class="n">iFrac</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="n">frac</span><span class="o">+</span><span class="s">'.'</span> |
| 600 | <span class="c"># print SGData['SpGrp']+SSymbol</span> |
| 601 | <span class="c"># print 'SSGKl',SSGKl,'genQ',genQ,'iFrac',iFrac,'modSymb',SSGData['modSymb']</span> |
| 602 | <span class="c"># set identity & 1,-1; triclinic</span> |
| 603 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="mf">1.</span> |
| 604 | <span class="c">## expand if centrosymmetric</span> |
| 605 | <span class="c"># if SGData['SGInv']:</span> |
| 606 | <span class="c"># SSGOps += [[-1*M,V] for M,V in SSGOps[:]]</span> |
| 607 | <span class="c"># monoclinic - all done & all checked</span> |
| 608 | <span class="k">if</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'2'</span><span class="p">,</span><span class="s">'m'</span><span class="p">]:</span> <span class="c">#OK</span> |
| 609 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGKl</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 610 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 611 | <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="n">iFrac</span><span class="p">:</span> |
| 612 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="n">SSGKl</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 613 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'2/m'</span><span class="p">:</span> <span class="c">#OK</span> |
| 614 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGKl</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> |
| 615 | <span class="k">if</span> <span class="n">gensym</span><span class="p">:</span> |
| 616 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="mf">0.5</span> |
| 617 | <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="n">iFrac</span><span class="p">:</span> |
| 618 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGKl</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 619 | |
| 620 | <span class="c"># orthorhombic - all OK not fully checked</span> |
| 621 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'222'</span><span class="p">,</span><span class="s">'mm2'</span><span class="p">,</span><span class="s">'m2m'</span><span class="p">,</span><span class="s">'2mm'</span><span class="p">]:</span> <span class="c">#OK</span> |
| 622 | <span class="k">if</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'222'</span><span class="p">:</span> |
| 623 | <span class="n">OrOps</span> <span class="o">=</span> <span class="p">{</span><span class="s">'g'</span><span class="p">:{</span><span class="mi">0</span><span class="p">:[</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">],</span><span class="mi">1</span><span class="p">:[</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">]},</span><span class="s">'a'</span><span class="p">:{</span><span class="mi">1</span><span class="p">:[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">],</span><span class="mi">2</span><span class="p">:[</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">]},</span><span class="s">'b'</span><span class="p">:{</span><span class="mi">2</span><span class="p">:[</span><span class="mi">3</span><span class="p">,</span><span class="mi">2</span><span class="p">],</span><span class="mi">0</span><span class="p">:[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">]}}</span> <span class="c">#OK</span> |
| 624 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'mm2'</span><span class="p">:</span> |
| 625 | <span class="n">OrOps</span> <span class="o">=</span> <span class="p">{</span><span class="s">'g'</span><span class="p">:{</span><span class="mi">0</span><span class="p">:[</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">],</span><span class="mi">1</span><span class="p">:[</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">]},</span><span class="s">'a'</span><span class="p">:{</span><span class="mi">1</span><span class="p">:[</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">],</span><span class="mi">2</span><span class="p">:[</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">]},</span><span class="s">'b'</span><span class="p">:{</span><span class="mi">0</span><span class="p">:[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">],</span><span class="mi">2</span><span class="p">:[</span><span class="mi">3</span><span class="p">,</span><span class="mi">2</span><span class="p">]}}</span> <span class="c">#OK</span> |
| 626 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'m2m'</span><span class="p">:</span> |
| 627 | <span class="n">OrOps</span> <span class="o">=</span> <span class="p">{</span><span class="s">'b'</span><span class="p">:{</span><span class="mi">0</span><span class="p">:[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">],</span><span class="mi">2</span><span class="p">:[</span><span class="mi">3</span><span class="p">,</span><span class="mi">2</span><span class="p">]},</span><span class="s">'g'</span><span class="p">:{</span><span class="mi">0</span><span class="p">:[</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">],</span><span class="mi">1</span><span class="p">:[</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">]},</span><span class="s">'a'</span><span class="p">:{</span><span class="mi">1</span><span class="p">:[</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">],</span><span class="mi">2</span><span class="p">:[</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">]}}</span> <span class="c">#OK</span> |
| 628 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'2mm'</span><span class="p">:</span> |
| 629 | <span class="n">OrOps</span> <span class="o">=</span> <span class="p">{</span><span class="s">'a'</span><span class="p">:{</span><span class="mi">1</span><span class="p">:[</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">],</span><span class="mi">2</span><span class="p">:[</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">]},</span><span class="s">'b'</span><span class="p">:{</span><span class="mi">0</span><span class="p">:[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">],</span><span class="mi">2</span><span class="p">:[</span><span class="mi">3</span><span class="p">,</span><span class="mi">2</span><span class="p">]},</span><span class="s">'g'</span><span class="p">:{</span><span class="mi">0</span><span class="p">:[</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">],</span><span class="mi">1</span><span class="p">:[</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">]}}</span> <span class="c">#OK</span> |
| 630 | <span class="n">a</span> <span class="o">=</span> <span class="n">findMod</span><span class="p">(</span><span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">])</span> |
| 631 | <span class="n">OrFrac</span> <span class="o">=</span> <span class="n">OrOps</span><span class="p">[</span><span class="n">a</span><span class="p">]</span> |
| 632 | <span class="k">for</span> <span class="n">j</span> <span class="ow">in</span> <span class="n">iFrac</span><span class="p">:</span> |
| 633 | <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="n">OrFrac</span><span class="p">[</span><span class="n">j</span><span class="p">]:</span> |
| 634 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">i</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="n">j</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="mf">2.</span><span class="o">*</span><span class="nb">eval</span><span class="p">(</span><span class="n">iFrac</span><span class="p">[</span><span class="n">j</span><span class="p">])</span><span class="o">*</span><span class="n">SSGKl</span><span class="p">[</span><span class="n">i</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> |
| 635 | <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">]:</span> |
| 636 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">i</span><span class="o">+</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGKl</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 637 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">i</span><span class="o">+</span><span class="mi">1</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 638 | <span class="n">E</span><span class="p">,</span><span class="n">SSGOps</span> <span class="o">=</span> <span class="n">extendSSGOps</span><span class="p">(</span><span class="n">SSGOps</span><span class="p">)</span> |
| 639 | <span class="k">if</span> <span class="ow">not</span> <span class="n">E</span><span class="p">:</span> |
| 640 | <span class="k">return</span> <span class="n">E</span><span class="p">,</span><span class="n">SSGOps</span> |
| 641 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'mmm'</span><span class="p">:</span> <span class="c">#OK</span> |
| 642 | <span class="n">OrOps</span> <span class="o">=</span> <span class="p">{</span><span class="s">'g'</span><span class="p">:{</span><span class="mi">0</span><span class="p">:[</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">],</span><span class="mi">1</span><span class="p">:[</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">]},</span><span class="s">'a'</span><span class="p">:{</span><span class="mi">1</span><span class="p">:[</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">],</span><span class="mi">2</span><span class="p">:[</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">]},</span><span class="s">'b'</span><span class="p">:{</span><span class="mi">0</span><span class="p">:[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">],</span><span class="mi">2</span><span class="p">:[</span><span class="mi">3</span><span class="p">,</span><span class="mi">2</span><span class="p">]}}</span> |
| 643 | <span class="n">a</span> <span class="o">=</span> <span class="n">findMod</span><span class="p">(</span><span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">])</span> |
| 644 | <span class="k">if</span> <span class="n">a</span> <span class="o">==</span> <span class="s">'g'</span><span class="p">:</span> |
| 645 | <span class="n">SSkl</span> <span class="o">=</span> <span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">]</span> |
| 646 | <span class="k">elif</span> <span class="n">a</span> <span class="o">==</span> <span class="s">'a'</span><span class="p">:</span> |
| 647 | <span class="n">SSkl</span> <span class="o">=</span> <span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> |
| 648 | <span class="k">else</span><span class="p">:</span> |
| 649 | <span class="n">SSkl</span> <span class="o">=</span> <span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> |
| 650 | <span class="n">OrFrac</span> <span class="o">=</span> <span class="n">OrOps</span><span class="p">[</span><span class="n">a</span><span class="p">]</span> |
| 651 | <span class="k">for</span> <span class="n">j</span> <span class="ow">in</span> <span class="n">iFrac</span><span class="p">:</span> |
| 652 | <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="n">OrFrac</span><span class="p">[</span><span class="n">j</span><span class="p">]:</span> |
| 653 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">i</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="n">j</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="mf">2.</span><span class="o">*</span><span class="nb">eval</span><span class="p">(</span><span class="n">iFrac</span><span class="p">[</span><span class="n">j</span><span class="p">])</span><span class="o">*</span><span class="n">SSkl</span><span class="p">[</span><span class="n">i</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> |
| 654 | <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">]:</span> |
| 655 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">i</span><span class="o">+</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSkl</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 656 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">i</span><span class="o">+</span><span class="mi">1</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 657 | <span class="n">E</span><span class="p">,</span><span class="n">SSGOps</span> <span class="o">=</span> <span class="n">extendSSGOps</span><span class="p">(</span><span class="n">SSGOps</span><span class="p">)</span> |
| 658 | <span class="k">if</span> <span class="ow">not</span> <span class="n">E</span><span class="p">:</span> |
| 659 | <span class="k">return</span> <span class="n">E</span><span class="p">,</span><span class="n">SSGOps</span> |
| 660 | <span class="c"># tetragonal - all done & checked</span> |
| 661 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'4'</span><span class="p">:</span> <span class="c">#OK</span> |
| 662 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGKl</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 663 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 664 | <span class="k">if</span> <span class="s">'1/2'</span> <span class="ow">in</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">]:</span> |
| 665 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="mi">1</span> |
| 666 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'-4'</span><span class="p">:</span> <span class="c">#OK</span> |
| 667 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGKl</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 668 | <span class="k">if</span> <span class="s">'1/2'</span> <span class="ow">in</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">]:</span> |
| 669 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="mi">1</span> |
| 670 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'4/m'</span><span class="p">,]:</span> <span class="c">#OK</span> |
| 671 | <span class="k">if</span> <span class="s">'1/2'</span> <span class="ow">in</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">]:</span> |
| 672 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="n">SSGKl</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 673 | <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">j</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">([</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">]):</span> |
| 674 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="mi">1</span> |
| 675 | <span class="k">if</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]:</span> |
| 676 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 677 | <span class="n">E</span><span class="p">,</span><span class="n">SSGOps</span> <span class="o">=</span> <span class="n">extendSSGOps</span><span class="p">(</span><span class="n">SSGOps</span><span class="p">)</span> |
| 678 | <span class="k">if</span> <span class="ow">not</span> <span class="n">E</span><span class="p">:</span> |
| 679 | <span class="k">return</span> <span class="n">E</span><span class="p">,</span><span class="n">SSGOps</span> |
| 680 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'422'</span><span class="p">,</span><span class="s">'4mm'</span><span class="p">,</span><span class="s">'-42m'</span><span class="p">,</span><span class="s">'-4m2'</span><span class="p">,]:</span> <span class="c">#OK</span> |
| 681 | <span class="n">iGens</span> <span class="o">=</span> <span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">5</span><span class="p">]</span> |
| 682 | <span class="k">if</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'4mm'</span><span class="p">,</span><span class="s">'-4m2'</span><span class="p">,]:</span> |
| 683 | <span class="n">iGens</span> <span class="o">=</span> <span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">6</span><span class="p">,</span><span class="mi">7</span><span class="p">]</span> |
| 684 | <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">j</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">iGens</span><span class="p">):</span> |
| 685 | <span class="k">if</span> <span class="s">'1/2'</span> <span class="ow">in</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">]</span> <span class="ow">and</span> <span class="n">i</span> <span class="o"><</span> <span class="mi">2</span><span class="p">:</span> |
| 686 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGKl</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 687 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGKl</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 688 | <span class="k">if</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]:</span> |
| 689 | <span class="k">if</span> <span class="s">'s'</span> <span class="ow">in</span> <span class="n">gensym</span> <span class="ow">and</span> <span class="n">j</span> <span class="o">==</span> <span class="mi">6</span><span class="p">:</span> |
| 690 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 691 | <span class="k">else</span><span class="p">:</span> |
| 692 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 693 | <span class="n">E</span><span class="p">,</span><span class="n">SSGOps</span> <span class="o">=</span> <span class="n">extendSSGOps</span><span class="p">(</span><span class="n">SSGOps</span><span class="p">)</span> |
| 694 | <span class="k">if</span> <span class="ow">not</span> <span class="n">E</span><span class="p">:</span> |
| 695 | <span class="k">return</span> <span class="n">E</span><span class="p">,</span><span class="n">SSGOps</span> |
| 696 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'4/mmm'</span><span class="p">,]:</span><span class="c">#OK</span> |
| 697 | <span class="k">if</span> <span class="s">'1/2'</span> <span class="ow">in</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">]:</span> |
| 698 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="n">SSGKl</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 699 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">6</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGKl</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> |
| 700 | <span class="k">if</span> <span class="n">modsym</span><span class="p">:</span> |
| 701 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="n">genQ</span><span class="p">[</span><span class="mi">3</span><span class="p">]</span> |
| 702 | <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">j</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">([</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">6</span><span class="p">,</span><span class="mi">7</span><span class="p">]):</span> |
| 703 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="mi">1</span> |
| 704 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 705 | <span class="n">E</span><span class="p">,</span><span class="n">Result</span> <span class="o">=</span> <span class="n">extendSSGOps</span><span class="p">(</span><span class="n">SSGOps</span><span class="p">)</span> |
| 706 | <span class="k">if</span> <span class="ow">not</span> <span class="n">E</span><span class="p">:</span> |
| 707 | <span class="k">return</span> <span class="n">E</span><span class="p">,</span><span class="n">Result</span> |
| 708 | <span class="k">else</span><span class="p">:</span> |
| 709 | <span class="n">SSGOps</span> <span class="o">=</span> <span class="n">Result</span> |
| 710 | |
| 711 | <span class="c"># trigonal - all done & checked</span> |
| 712 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'3'</span><span class="p">:</span> <span class="c">#OK</span> |
| 713 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGKl</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 714 | <span class="k">if</span> <span class="s">'1/3'</span> <span class="ow">in</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">]:</span> |
| 715 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="mi">1</span> |
| 716 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 717 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'-3'</span><span class="p">:</span> <span class="c">#OK</span> |
| 718 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="n">SSGKl</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 719 | <span class="k">if</span> <span class="s">'1/3'</span> <span class="ow">in</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">]:</span> |
| 720 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="mi">1</span> |
| 721 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 722 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'312'</span><span class="p">,</span><span class="s">'3m'</span><span class="p">,</span><span class="s">'-3m'</span><span class="p">,</span><span class="s">'-3m1'</span><span class="p">,</span><span class="s">'3m1'</span><span class="p">]:</span> <span class="c">#OK</span> |
| 723 | <span class="k">if</span> <span class="s">'1/3'</span> <span class="ow">in</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">]:</span> |
| 724 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="mi">1</span> |
| 725 | <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">j</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">([</span><span class="mi">1</span><span class="p">,</span><span class="mi">5</span><span class="p">]):</span> |
| 726 | <span class="k">if</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'3m'</span><span class="p">,</span><span class="s">'-3m'</span><span class="p">]:</span> |
| 727 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="mi">1</span> |
| 728 | <span class="k">else</span><span class="p">:</span> |
| 729 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGKl</span><span class="p">[</span><span class="n">i</span><span class="o">+</span><span class="mi">1</span><span class="p">]</span> |
| 730 | <span class="k">if</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]:</span> |
| 731 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 732 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'321'</span><span class="p">,</span><span class="s">'32'</span><span class="p">]:</span> <span class="c">#OK</span> |
| 733 | <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">j</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">([</span><span class="mi">1</span><span class="p">,</span><span class="mi">4</span><span class="p">]):</span> |
| 734 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGKl</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 735 | <span class="k">if</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]:</span> |
| 736 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 737 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'31m'</span><span class="p">,</span><span class="s">'-31m'</span><span class="p">]:</span> <span class="c">#OK</span> |
| 738 | <span class="n">ids</span> <span class="o">=</span> <span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> |
| 739 | <span class="k">if</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'-31m'</span><span class="p">:</span> |
| 740 | <span class="n">ids</span> <span class="o">=</span> <span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> |
| 741 | <span class="k">if</span> <span class="s">'1/3'</span> <span class="ow">in</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">]:</span> |
| 742 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">ids</span><span class="p">[</span><span class="mi">0</span><span class="p">]][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="n">SSGKl</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 743 | <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">j</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">ids</span><span class="p">):</span> |
| 744 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="mi">1</span> |
| 745 | <span class="k">if</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="o">+</span><span class="mi">1</span><span class="p">]:</span> |
| 746 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="o">+</span><span class="mi">1</span><span class="p">]</span> |
| 747 | |
| 748 | <span class="c"># hexagonal all done & checked</span> |
| 749 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'6'</span><span class="p">:</span> <span class="c">#OK</span> |
| 750 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGKl</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 751 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 752 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'-6'</span><span class="p">:</span> <span class="c">#OK</span> |
| 753 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGKl</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 754 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'6/m'</span><span class="p">,]:</span> <span class="c">#OK</span> |
| 755 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="n">SSGKl</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> |
| 756 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 757 | <span class="n">SSGOps</span><span class="p">[</span><span class="mi">2</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> |
| 758 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'622'</span><span class="p">,]:</span> <span class="c">#OK</span> |
| 759 | <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">j</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">([</span><span class="mi">1</span><span class="p">,</span><span class="mi">8</span><span class="p">,</span><span class="mi">9</span><span class="p">]):</span> |
| 760 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGKl</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 761 | <span class="k">if</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]:</span> |
| 762 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 763 | <span class="n">E</span><span class="p">,</span><span class="n">SSGOps</span> <span class="o">=</span> <span class="n">extendSSGOps</span><span class="p">(</span><span class="n">SSGOps</span><span class="p">)</span> |
| 764 | |
| 765 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'6mm'</span><span class="p">,</span><span class="s">'-62m'</span><span class="p">,</span><span class="s">'-6m2'</span><span class="p">,]:</span> <span class="c">#OK</span> |
| 766 | <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">j</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">([</span><span class="mi">1</span><span class="p">,</span><span class="mi">6</span><span class="p">,</span><span class="mi">7</span><span class="p">]):</span> |
| 767 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGKl</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 768 | <span class="k">if</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]:</span> |
| 769 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 770 | <span class="n">E</span><span class="p">,</span><span class="n">SSGOps</span> <span class="o">=</span> <span class="n">extendSSGOps</span><span class="p">(</span><span class="n">SSGOps</span><span class="p">)</span> |
| 771 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'6/mmm'</span><span class="p">,]:</span> <span class="c"># OK</span> |
| 772 | <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">j</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">([</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="mi">11</span><span class="p">]):</span> |
| 773 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="mi">1</span> |
| 774 | <span class="k">if</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]:</span> |
| 775 | <span class="n">SSGOps</span><span class="p">[</span><span class="n">j</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">genQ</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 776 | <span class="n">E</span><span class="p">,</span><span class="n">SSGOps</span> <span class="o">=</span> <span class="n">extendSSGOps</span><span class="p">(</span><span class="n">SSGOps</span><span class="p">)</span> |
| 777 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'1'</span><span class="p">,</span><span class="s">'-1'</span><span class="p">]:</span> <span class="c">#triclinic - done</span> |
| 778 | <span class="k">return</span> <span class="bp">True</span><span class="p">,</span><span class="n">SSGOps</span> |
| 779 | <span class="n">E</span><span class="p">,</span><span class="n">SSGOps</span> <span class="o">=</span> <span class="n">extendSSGOps</span><span class="p">(</span><span class="n">SSGOps</span><span class="p">)</span> |
| 780 | <span class="k">return</span> <span class="n">E</span><span class="p">,</span><span class="n">SSGOps</span> |
| 781 | |
| 782 | <span class="k">def</span> <span class="nf">specialGen</span><span class="p">(</span><span class="n">gensym</span><span class="p">,</span><span class="n">modsym</span><span class="p">):</span> |
| 783 | <span class="n">sym</span> <span class="o">=</span> <span class="s">''</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">gensym</span><span class="p">)</span> |
| 784 | <span class="k">if</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'2/m'</span><span class="p">,]</span> <span class="ow">and</span> <span class="s">'n'</span> <span class="ow">in</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SpGrp'</span><span class="p">]:</span> |
| 785 | <span class="k">if</span> <span class="s">'s'</span> <span class="ow">in</span> <span class="n">sym</span><span class="p">:</span> |
| 786 | <span class="n">gensym</span> <span class="o">=</span> <span class="s">'ss'</span> |
| 787 | <span class="k">if</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'-62m'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="o">==</span> <span class="s">'00s'</span><span class="p">:</span> |
| 788 | <span class="n">gensym</span> <span class="o">=</span> <span class="s">'0ss'</span> |
| 789 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'222'</span><span class="p">,]:</span> |
| 790 | <span class="k">if</span> <span class="n">sym</span> <span class="o">==</span> <span class="s">'00s'</span><span class="p">:</span> |
| 791 | <span class="n">gensym</span> <span class="o">=</span> <span class="s">'0ss'</span> |
| 792 | <span class="k">elif</span> <span class="n">sym</span> <span class="o">==</span> <span class="s">'0s0'</span><span class="p">:</span> |
| 793 | <span class="n">gensym</span> <span class="o">=</span> <span class="s">'ss0'</span> |
| 794 | <span class="k">elif</span> <span class="n">sym</span> <span class="o">==</span> <span class="s">'s00'</span><span class="p">:</span> |
| 795 | <span class="n">gensym</span> <span class="o">=</span> <span class="s">'s0s'</span> |
| 796 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'mmm'</span><span class="p">,]:</span> |
| 797 | <span class="k">if</span> <span class="s">'g'</span> <span class="ow">in</span> <span class="n">modsym</span><span class="p">:</span> |
| 798 | <span class="k">if</span> <span class="n">sym</span> <span class="o">==</span> <span class="s">'s00'</span><span class="p">:</span> |
| 799 | <span class="n">gensym</span> <span class="o">=</span> <span class="s">'s0s'</span> |
| 800 | <span class="k">elif</span> <span class="n">sym</span> <span class="o">==</span> <span class="s">'0s0'</span><span class="p">:</span> |
| 801 | <span class="n">gensym</span> <span class="o">=</span> <span class="s">'0ss'</span> |
| 802 | <span class="k">elif</span> <span class="s">'a'</span> <span class="ow">in</span> <span class="n">modsym</span><span class="p">:</span> |
| 803 | <span class="k">if</span> <span class="n">sym</span> <span class="o">==</span> <span class="s">'0s0'</span><span class="p">:</span> |
| 804 | <span class="n">gensym</span> <span class="o">=</span> <span class="s">'ss0'</span> |
| 805 | <span class="k">elif</span> <span class="n">sym</span> <span class="o">==</span> <span class="s">'00s'</span><span class="p">:</span> |
| 806 | <span class="n">gensym</span> <span class="o">=</span> <span class="s">'s0s'</span> |
| 807 | <span class="k">elif</span> <span class="s">'b'</span> <span class="ow">in</span> <span class="n">modsym</span><span class="p">:</span> |
| 808 | <span class="k">if</span> <span class="n">sym</span> <span class="o">==</span> <span class="s">'00s'</span><span class="p">:</span> |
| 809 | <span class="n">gensym</span> <span class="o">=</span> <span class="s">'0ss'</span> |
| 810 | <span class="k">elif</span> <span class="n">sym</span> <span class="o">==</span> <span class="s">'s00'</span><span class="p">:</span> |
| 811 | <span class="n">gensym</span> <span class="o">=</span> <span class="s">'ss0'</span> |
| 812 | <span class="k">return</span> <span class="n">gensym</span> |
| 813 | |
| 814 | <span class="k">def</span> <span class="nf">checkGen</span><span class="p">(</span><span class="n">gensym</span><span class="p">):</span> |
| 815 | <span class="n">sym</span> <span class="o">=</span> <span class="s">''</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">gensym</span><span class="p">)</span> |
| 816 | <span class="c"># monoclinic - all done</span> |
| 817 | <span class="k">if</span> <span class="nb">str</span><span class="p">(</span><span class="n">SSGKl</span><span class="p">)</span> <span class="o">==</span> <span class="s">'[-1]'</span> <span class="ow">and</span> <span class="n">sym</span> <span class="o">==</span> <span class="s">'s'</span><span class="p">:</span> |
| 818 | <span class="k">return</span> <span class="bp">False</span> |
| 819 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'2/m'</span><span class="p">,]:</span> |
| 820 | <span class="k">if</span> <span class="nb">str</span><span class="p">(</span><span class="n">SSGKl</span><span class="p">)</span> <span class="o">==</span> <span class="s">'[-1, 1]'</span> <span class="ow">and</span> <span class="n">sym</span> <span class="o">==</span> <span class="s">'0s'</span><span class="p">:</span> |
| 821 | <span class="k">return</span> <span class="bp">False</span> |
| 822 | <span class="k">elif</span> <span class="nb">str</span><span class="p">(</span><span class="n">SSGKl</span><span class="p">)</span> <span class="o">==</span> <span class="s">'[1, -1]'</span> <span class="ow">and</span> <span class="n">sym</span> <span class="o">==</span> <span class="s">'s0'</span><span class="p">:</span> |
| 823 | <span class="k">return</span> <span class="bp">False</span> |
| 824 | <span class="c">#orthorhombic - all </span> |
| 825 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'222'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'s00'</span><span class="p">,</span><span class="s">'0s0'</span><span class="p">,</span><span class="s">'00s'</span><span class="p">]:</span> |
| 826 | <span class="k">return</span> <span class="bp">False</span> |
| 827 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'2mm'</span><span class="p">,</span><span class="s">'m2m'</span><span class="p">,</span><span class="s">'mm2'</span><span class="p">,</span><span class="s">'mmm'</span><span class="p">]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,]</span><span class="o">+</span><span class="n">GenSymList</span><span class="p">[</span><span class="mi">4</span><span class="p">:</span><span class="mi">15</span><span class="p">]:</span> |
| 828 | <span class="k">return</span> <span class="bp">False</span> |
| 829 | <span class="c">#tetragonal - all done</span> |
| 830 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'4'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'s'</span><span class="p">,</span><span class="s">'q'</span><span class="p">]:</span> |
| 831 | <span class="k">return</span> <span class="bp">False</span> |
| 832 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'-4'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,]:</span> |
| 833 | <span class="k">return</span> <span class="bp">False</span> |
| 834 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'4/m'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'s0'</span><span class="p">,</span><span class="s">'q0'</span><span class="p">]:</span> |
| 835 | <span class="k">return</span> <span class="bp">False</span> |
| 836 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'422'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'q00'</span><span class="p">,</span><span class="s">'s00'</span><span class="p">]:</span> |
| 837 | <span class="k">return</span> <span class="bp">False</span> |
| 838 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'4mm'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'ss0'</span><span class="p">,</span><span class="s">'s0s'</span><span class="p">,</span><span class="s">'0ss'</span><span class="p">,</span><span class="s">'00s'</span><span class="p">,</span><span class="s">'qq0'</span><span class="p">,</span><span class="s">'qqs'</span><span class="p">]:</span> |
| 839 | <span class="k">return</span> <span class="bp">False</span> |
| 840 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'-4m2'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'0s0'</span><span class="p">,</span><span class="s">'0q0'</span><span class="p">]:</span> |
| 841 | <span class="k">return</span> <span class="bp">False</span> |
| 842 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'-42m'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'0ss'</span><span class="p">,</span><span class="s">'00q'</span><span class="p">,]:</span> |
| 843 | <span class="k">return</span> <span class="bp">False</span> |
| 844 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'4/mmm'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'s00s'</span><span class="p">,</span><span class="s">'s0s0'</span><span class="p">,</span><span class="s">'00ss'</span><span class="p">,</span><span class="s">'000s'</span><span class="p">,]:</span> |
| 845 | <span class="k">return</span> <span class="bp">False</span> |
| 846 | <span class="c">#trigonal/rhombohedral - all done</span> |
| 847 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'3'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'t'</span><span class="p">]:</span> |
| 848 | <span class="k">return</span> <span class="bp">False</span> |
| 849 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'-3'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,]:</span> |
| 850 | <span class="k">return</span> <span class="bp">False</span> |
| 851 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'32'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'t0'</span><span class="p">]:</span> |
| 852 | <span class="k">return</span> <span class="bp">False</span> |
| 853 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'321'</span><span class="p">,</span><span class="s">'312'</span><span class="p">]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'t00'</span><span class="p">]:</span> |
| 854 | <span class="k">return</span> <span class="bp">False</span> |
| 855 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'3m'</span><span class="p">,</span><span class="s">'-3m'</span><span class="p">]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'0s'</span><span class="p">]:</span> |
| 856 | <span class="k">return</span> <span class="bp">False</span> |
| 857 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'3m1'</span><span class="p">,</span><span class="s">'-3m1'</span><span class="p">]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'0s0'</span><span class="p">]:</span> |
| 858 | <span class="k">return</span> <span class="bp">False</span> |
| 859 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'31m'</span><span class="p">,</span><span class="s">'-31m'</span><span class="p">]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'00s'</span><span class="p">]:</span> |
| 860 | <span class="k">return</span> <span class="bp">False</span> |
| 861 | <span class="c">#hexagonal - all done</span> |
| 862 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'6'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'s'</span><span class="p">,</span><span class="s">'h'</span><span class="p">,</span><span class="s">'t'</span><span class="p">]:</span> |
| 863 | <span class="k">return</span> <span class="bp">False</span> |
| 864 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'-6'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,]:</span> |
| 865 | <span class="k">return</span> <span class="bp">False</span> |
| 866 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'6/m'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'s0'</span><span class="p">]:</span> |
| 867 | <span class="k">return</span> <span class="bp">False</span> |
| 868 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'622'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'h00'</span><span class="p">,</span><span class="s">'t00'</span><span class="p">,</span><span class="s">'s00'</span><span class="p">]:</span> |
| 869 | <span class="k">return</span> <span class="bp">False</span> |
| 870 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'6mm'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'ss0'</span><span class="p">,</span><span class="s">'s0s'</span><span class="p">,</span><span class="s">'0ss'</span><span class="p">]:</span> |
| 871 | <span class="k">return</span> <span class="bp">False</span> |
| 872 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'-6m2'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'0s0'</span><span class="p">]:</span> |
| 873 | <span class="k">return</span> <span class="bp">False</span> |
| 874 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'-62m'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'00s'</span><span class="p">]:</span> |
| 875 | <span class="k">return</span> <span class="bp">False</span> |
| 876 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGPtGrp'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'6/mmm'</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">sym</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'s00s'</span><span class="p">,</span><span class="s">'s0s0'</span><span class="p">,</span><span class="s">'00ss'</span><span class="p">]:</span> |
| 877 | <span class="k">return</span> <span class="bp">False</span> |
| 878 | <span class="k">return</span> <span class="bp">True</span> |
| 879 | |
| 880 | <span class="n">LaueModList</span> <span class="o">=</span> <span class="p">[</span> |
| 881 | <span class="s">'abg'</span><span class="p">,</span><span class="s">'ab0'</span><span class="p">,</span><span class="s">'ab1/2'</span><span class="p">,</span><span class="s">'a0g'</span><span class="p">,</span><span class="s">'a1/2g'</span><span class="p">,</span> <span class="s">'0bg'</span><span class="p">,</span><span class="s">'1/2bg'</span><span class="p">,</span><span class="s">'a00'</span><span class="p">,</span><span class="s">'a01/2'</span><span class="p">,</span><span class="s">'a1/20'</span><span class="p">,</span> |
| 882 | <span class="s">'a1/21/2'</span><span class="p">,</span><span class="s">'a01'</span><span class="p">,</span><span class="s">'a10'</span><span class="p">,</span><span class="s">'0b0'</span><span class="p">,</span><span class="s">'0b1/2'</span><span class="p">,</span> <span class="s">'1/2b0'</span><span class="p">,</span><span class="s">'1/2b1/2'</span><span class="p">,</span><span class="s">'0b1'</span><span class="p">,</span><span class="s">'1b0'</span><span class="p">,</span><span class="s">'00g'</span><span class="p">,</span> |
| 883 | <span class="s">'01/2g'</span><span class="p">,</span><span class="s">'1/20g'</span><span class="p">,</span><span class="s">'1/21/2g'</span><span class="p">,</span><span class="s">'01g'</span><span class="p">,</span><span class="s">'10g'</span><span class="p">,</span> <span class="s">'1/31/3g'</span><span class="p">]</span> |
| 884 | <span class="n">LaueList</span> <span class="o">=</span> <span class="p">[</span><span class="s">'-1'</span><span class="p">,</span><span class="s">'2/m'</span><span class="p">,</span><span class="s">'mmm'</span><span class="p">,</span><span class="s">'4/m'</span><span class="p">,</span><span class="s">'4/mmm'</span><span class="p">,</span><span class="s">'3R'</span><span class="p">,</span><span class="s">'3mR'</span><span class="p">,</span><span class="s">'3'</span><span class="p">,</span><span class="s">'3m1'</span><span class="p">,</span><span class="s">'31m'</span><span class="p">,</span><span class="s">'6/m'</span><span class="p">,</span><span class="s">'6/mmm'</span><span class="p">,</span><span class="s">'m3'</span><span class="p">,</span><span class="s">'m3m'</span><span class="p">]</span> |
| 885 | <span class="n">GenSymList</span> <span class="o">=</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span><span class="s">'s'</span><span class="p">,</span><span class="s">'0s'</span><span class="p">,</span><span class="s">'s0'</span><span class="p">,</span> <span class="s">'00s'</span><span class="p">,</span><span class="s">'0s0'</span><span class="p">,</span><span class="s">'s00'</span><span class="p">,</span><span class="s">'s0s'</span><span class="p">,</span><span class="s">'ss0'</span><span class="p">,</span><span class="s">'0ss'</span><span class="p">,</span><span class="s">'q00'</span><span class="p">,</span><span class="s">'0q0'</span><span class="p">,</span><span class="s">'00q'</span><span class="p">,</span><span class="s">'qq0'</span><span class="p">,</span><span class="s">'q0q'</span><span class="p">,</span> <span class="s">'0qq'</span><span class="p">,</span> |
| 886 | <span class="s">'q'</span><span class="p">,</span><span class="s">'qqs'</span><span class="p">,</span><span class="s">'s0s0'</span><span class="p">,</span><span class="s">'00ss'</span><span class="p">,</span><span class="s">'s00s'</span><span class="p">,</span><span class="s">'t'</span><span class="p">,</span><span class="s">'t00'</span><span class="p">,</span><span class="s">'t0'</span><span class="p">,</span><span class="s">'h'</span><span class="p">,</span><span class="s">'h00'</span><span class="p">,</span><span class="s">'000s'</span><span class="p">]</span> |
| 887 | <span class="n">Fracs</span> <span class="o">=</span> <span class="p">{</span><span class="s">'1/2'</span><span class="p">:</span><span class="mf">0.5</span><span class="p">,</span><span class="s">'1/3'</span><span class="p">:</span><span class="mf">1.</span><span class="o">/</span><span class="mi">3</span><span class="p">,</span><span class="s">'1'</span><span class="p">:</span><span class="mf">1.0</span><span class="p">,</span><span class="s">'0'</span><span class="p">:</span><span class="mf">0.</span><span class="p">,</span><span class="s">'s'</span><span class="p">:</span><span class="o">.</span><span class="mi">5</span><span class="p">,</span><span class="s">'t'</span><span class="p">:</span><span class="mf">1.</span><span class="o">/</span><span class="mi">3</span><span class="p">,</span><span class="s">'q'</span><span class="p">:</span><span class="o">.</span><span class="mi">25</span><span class="p">,</span><span class="s">'h'</span><span class="p">:</span><span class="mf">1.</span><span class="o">/</span><span class="mi">6</span><span class="p">,</span><span class="s">'a'</span><span class="p">:</span><span class="mf">0.</span><span class="p">,</span><span class="s">'b'</span><span class="p">:</span><span class="mf">0.</span><span class="p">,</span><span class="s">'g'</span><span class="p">:</span><span class="mf">0.</span><span class="p">}</span> |
| 888 | <span class="n">LaueId</span> <span class="o">=</span> <span class="n">LaueList</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">SGData</span><span class="p">[</span><span class="s">'SGLaue'</span><span class="p">])</span> |
| 889 | <span class="k">if</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGLaue'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'m3'</span><span class="p">,</span><span class="s">'m3m'</span><span class="p">]:</span> |
| 890 | <span class="k">return</span> <span class="s">'(3+1) superlattices not defined for cubic space groups'</span><span class="p">,</span><span class="bp">None</span> |
| 891 | <span class="k">elif</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGLaue'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'3R'</span><span class="p">,</span><span class="s">'3mR'</span><span class="p">]:</span> |
| 892 | <span class="k">return</span> <span class="s">'(3+1) superlattices not defined for rhombohedral settings - use hexagonal setting'</span><span class="p">,</span><span class="bp">None</span> |
| 893 | <span class="k">try</span><span class="p">:</span> |
| 894 | <span class="n">modsym</span><span class="p">,</span><span class="n">gensym</span> <span class="o">=</span> <span class="n">splitSSsym</span><span class="p">(</span><span class="n">SSymbol</span><span class="p">)</span> |
| 895 | <span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span> |
| 896 | <span class="k">return</span> <span class="s">'Error in superspace symbol '</span><span class="o">+</span><span class="n">SSymbol</span><span class="p">,</span><span class="bp">None</span> |
| 897 | <span class="k">if</span> <span class="s">''</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">gensym</span><span class="p">)</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">GenSymList</span><span class="p">:</span> |
| 898 | <span class="k">return</span> <span class="s">'unknown generator symbol '</span><span class="o">+</span><span class="s">''</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">gensym</span><span class="p">),</span><span class="bp">None</span> |
| 899 | <span class="k">try</span><span class="p">:</span> |
| 900 | <span class="n">LaueModId</span> <span class="o">=</span> <span class="n">LaueModList</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">''</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">modsym</span><span class="p">))</span> |
| 901 | <span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span> |
| 902 | <span class="k">return</span> <span class="s">'Unknown modulation symbol '</span><span class="o">+</span><span class="s">''</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">modsym</span><span class="p">),</span><span class="bp">None</span> |
| 903 | <span class="k">if</span> <span class="ow">not</span> <span class="n">checkModSym</span><span class="p">():</span> |
| 904 | <span class="k">return</span> <span class="s">'Modulation '</span><span class="o">+</span><span class="s">''</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">modsym</span><span class="p">)</span><span class="o">+</span><span class="s">' not consistent with space group '</span><span class="o">+</span><span class="n">SGData</span><span class="p">[</span><span class="s">'SpGrp'</span><span class="p">],</span><span class="bp">None</span> |
| 905 | <span class="n">modQ</span> <span class="o">=</span> <span class="p">[</span><span class="n">Fracs</span><span class="p">[</span><span class="n">mod</span><span class="p">]</span> <span class="k">for</span> <span class="n">mod</span> <span class="ow">in</span> <span class="n">modsym</span><span class="p">]</span> |
| 906 | <span class="n">SSGKl</span> <span class="o">=</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SSGKl'</span><span class="p">][:]</span> |
| 907 | <span class="k">if</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGLaue'</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'2/m'</span><span class="p">,</span><span class="s">'mmm'</span><span class="p">]:</span> |
| 908 | <span class="n">SSGKl</span> <span class="o">=</span> <span class="n">fixMonoOrtho</span><span class="p">()</span> |
| 909 | <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">gensym</span><span class="p">)</span> <span class="ow">and</span> <span class="nb">len</span><span class="p">(</span><span class="n">gensym</span><span class="p">)</span> <span class="o">!=</span> <span class="nb">len</span><span class="p">(</span><span class="n">SSGKl</span><span class="p">):</span> |
| 910 | <span class="k">return</span> <span class="s">'Wrong number of items in generator symbol '</span><span class="o">+</span><span class="s">''</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">gensym</span><span class="p">),</span><span class="bp">None</span> |
| 911 | <span class="k">if</span> <span class="ow">not</span> <span class="n">checkGen</span><span class="p">(</span><span class="n">gensym</span><span class="p">):</span> |
| 912 | <span class="k">return</span> <span class="s">'Generator '</span><span class="o">+</span><span class="s">''</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">gensym</span><span class="p">)</span><span class="o">+</span><span class="s">' not consistent with space group '</span><span class="o">+</span><span class="n">SGData</span><span class="p">[</span><span class="s">'SpGrp'</span><span class="p">],</span><span class="bp">None</span> |
| 913 | <span class="n">gensym</span> <span class="o">=</span> <span class="n">specialGen</span><span class="p">(</span><span class="n">gensym</span><span class="p">,</span><span class="n">modsym</span><span class="p">)</span> |
| 914 | <span class="n">genQ</span> <span class="o">=</span> <span class="p">[</span><span class="n">Fracs</span><span class="p">[</span><span class="n">mod</span><span class="p">]</span> <span class="k">for</span> <span class="n">mod</span> <span class="ow">in</span> <span class="n">gensym</span><span class="p">]</span> |
| 915 | <span class="k">if</span> <span class="ow">not</span> <span class="n">genQ</span><span class="p">:</span> |
| 916 | <span class="n">genQ</span> <span class="o">=</span> <span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]</span> |
| 917 | <span class="n">SSGData</span> <span class="o">=</span> <span class="p">{</span><span class="s">'SSpGrp'</span><span class="p">:</span><span class="n">SGData</span><span class="p">[</span><span class="s">'SpGrp'</span><span class="p">]</span><span class="o">+</span><span class="n">SSymbol</span><span class="p">,</span><span class="s">'modQ'</span><span class="p">:</span><span class="n">modQ</span><span class="p">,</span><span class="s">'modSymb'</span><span class="p">:</span><span class="n">modsym</span><span class="p">,</span><span class="s">'SSGKl'</span><span class="p">:</span><span class="n">SSGKl</span><span class="p">}</span> |
| 918 | <span class="n">SSCen</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">zeros</span><span class="p">((</span><span class="nb">len</span><span class="p">(</span><span class="n">SGData</span><span class="p">[</span><span class="s">'SGCen'</span><span class="p">]),</span><span class="mi">4</span><span class="p">))</span> |
| 919 | <span class="k">for</span> <span class="n">icen</span><span class="p">,</span><span class="n">cen</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">SGData</span><span class="p">[</span><span class="s">'SGCen'</span><span class="p">]):</span> |
| 920 | <span class="n">SSCen</span><span class="p">[</span><span class="n">icen</span><span class="p">,</span><span class="mi">0</span><span class="p">:</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">cen</span> |
| 921 | <span class="n">SSCen</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">zeros</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span> |
| 922 | <span class="n">SSGData</span><span class="p">[</span><span class="s">'SSGCen'</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSCen</span> |
| 923 | <span class="n">SSGData</span><span class="p">[</span><span class="s">'SSGOps'</span><span class="p">]</span> <span class="o">=</span> <span class="p">[]</span> |
| 924 | <span class="k">for</span> <span class="n">iop</span><span class="p">,</span><span class="n">op</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">SGData</span><span class="p">[</span><span class="s">'SGOps'</span><span class="p">]):</span> |
| 925 | <span class="n">T</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">zeros</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span> |
| 926 | <span class="n">ssop</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">zeros</span><span class="p">((</span><span class="mi">4</span><span class="p">,</span><span class="mi">4</span><span class="p">))</span> |
| 927 | <span class="n">ssop</span><span class="p">[:</span><span class="mi">3</span><span class="p">,:</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">op</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> |
| 928 | <span class="n">T</span><span class="p">[:</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="n">op</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> |
| 929 | <span class="n">SSGData</span><span class="p">[</span><span class="s">'SSGOps'</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">ssop</span><span class="p">,</span><span class="n">T</span><span class="p">])</span> |
| 930 | <span class="n">E</span><span class="p">,</span><span class="n">Result</span> <span class="o">=</span> <span class="n">genSSGOps</span><span class="p">()</span> |
| 931 | <span class="k">if</span> <span class="n">E</span><span class="p">:</span> |
| 932 | <span class="n">SSGData</span><span class="p">[</span><span class="s">'SSGOps'</span><span class="p">]</span> <span class="o">=</span> <span class="n">Result</span> |
| 933 | <span class="k">if</span> <span class="n">DEBUG</span><span class="p">:</span> |
| 934 | <span class="k">print</span> <span class="s">'Super spacegroup operators for '</span><span class="o">+</span><span class="n">SSGData</span><span class="p">[</span><span class="s">'SSpGrp'</span><span class="p">]</span> |
| 935 | <span class="k">for</span> <span class="n">Op</span> <span class="ow">in</span> <span class="n">Result</span><span class="p">:</span> |
| 936 | <span class="k">print</span> <span class="n">SSMT2text</span><span class="p">(</span><span class="n">Op</span><span class="p">)</span><span class="o">.</span><span class="n">replace</span><span class="p">(</span><span class="s">' '</span><span class="p">,</span><span class="s">''</span><span class="p">)</span> |
| 937 | <span class="k">if</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGInv'</span><span class="p">]:</span> |
| 938 | <span class="k">for</span> <span class="n">Op</span> <span class="ow">in</span> <span class="n">Result</span><span class="p">:</span> |
| 939 | <span class="n">Op</span> <span class="o">=</span> <span class="p">[</span><span class="o">-</span><span class="n">Op</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="o">-</span><span class="n">Op</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">%</span><span class="mf">1.</span><span class="p">]</span> |
| 940 | <span class="k">print</span> <span class="n">SSMT2text</span><span class="p">(</span><span class="n">Op</span><span class="p">)</span><span class="o">.</span><span class="n">replace</span><span class="p">(</span><span class="s">' '</span><span class="p">,</span><span class="s">''</span><span class="p">)</span> |
| 941 | <span class="k">return</span> <span class="bp">None</span><span class="p">,</span><span class="n">SSGData</span> |
| 942 | <span class="k">else</span><span class="p">:</span> |
| 943 | <span class="k">return</span> <span class="n">Result</span><span class="o">+</span><span class="s">'</span><span class="se">\n</span><span class="s">Operator conflict - incorrect superspace symbol'</span><span class="p">,</span><span class="bp">None</span> |
| 1477 | <span class="k">def</span> <span class="nf">GetSSfxuinel</span><span class="p">(</span><span class="n">waveType</span><span class="p">,</span><span class="n">nH</span><span class="p">,</span><span class="n">XYZ</span><span class="p">,</span><span class="n">SGData</span><span class="p">,</span><span class="n">SSGData</span><span class="p">,</span><span class="n">debug</span><span class="o">=</span><span class="bp">False</span><span class="p">):</span> |
| 1478 | |
| 1479 | <span class="k">def</span> <span class="nf">orderParms</span><span class="p">(</span><span class="n">CSI</span><span class="p">):</span> |
| 1480 | <span class="n">parms</span> <span class="o">=</span> <span class="p">[</span><span class="mi">0</span><span class="p">,]</span> |
| 1481 | <span class="k">for</span> <span class="n">csi</span> <span class="ow">in</span> <span class="n">CSI</span><span class="p">:</span> |
| 1482 | <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">]:</span> |
| 1483 | <span class="k">if</span> <span class="n">csi</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">parms</span><span class="p">:</span> |
| 1484 | <span class="n">parms</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">csi</span><span class="p">[</span><span class="n">i</span><span class="p">])</span> |
| 1485 | <span class="k">for</span> <span class="n">csi</span> <span class="ow">in</span> <span class="n">CSI</span><span class="p">:</span> |
| 1486 | <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">]:</span> |
| 1487 | <span class="n">csi</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="n">parms</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">csi</span><span class="p">[</span><span class="n">i</span><span class="p">])</span> |
| 1488 | <span class="k">return</span> <span class="n">CSI</span> |
| 1489 | |
| 1490 | <span class="k">def</span> <span class="nf">fracCrenel</span><span class="p">(</span><span class="n">tau</span><span class="p">,</span><span class="n">Toff</span><span class="p">,</span><span class="n">Twid</span><span class="p">):</span> |
| 1491 | <span class="n">Tau</span> <span class="o">=</span> <span class="p">(</span><span class="n">tau</span><span class="o">-</span><span class="n">Toff</span><span class="p">)</span><span class="o">%</span><span class="mf">1.</span> |
| 1492 | <span class="n">A</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">where</span><span class="p">(</span><span class="n">Tau</span><span class="o"><</span><span class="n">Twid</span><span class="p">,</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">)</span> |
| 1493 | <span class="k">return</span> <span class="n">A</span> |
| 1494 | |
| 1495 | <span class="k">def</span> <span class="nf">fracFourier</span><span class="p">(</span><span class="n">tau</span><span class="p">,</span><span class="n">nH</span><span class="p">,</span><span class="n">fsin</span><span class="p">,</span><span class="n">fcos</span><span class="p">):</span> |
| 1496 | <span class="n">SA</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">sin</span><span class="p">(</span><span class="mf">2.</span><span class="o">*</span><span class="n">nH</span><span class="o">*</span><span class="n">np</span><span class="o">.</span><span class="n">pi</span><span class="o">*</span><span class="n">tau</span><span class="p">)</span> |
| 1497 | <span class="n">CB</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">cos</span><span class="p">(</span><span class="mf">2.</span><span class="o">*</span><span class="n">nH</span><span class="o">*</span><span class="n">np</span><span class="o">.</span><span class="n">pi</span><span class="o">*</span><span class="n">tau</span><span class="p">)</span> |
| 1498 | <span class="n">A</span> <span class="o">=</span> <span class="n">SA</span><span class="p">[</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">,:]</span><span class="o">*</span><span class="n">fsin</span><span class="p">[:,:,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">]</span> |
| 1499 | <span class="n">B</span> <span class="o">=</span> <span class="n">CB</span><span class="p">[</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">,:]</span><span class="o">*</span><span class="n">fcos</span><span class="p">[:,:,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">]</span> |
| 1500 | <span class="k">return</span> <span class="n">A</span><span class="o">+</span><span class="n">B</span> |
| 1501 | |
| 1502 | <span class="k">def</span> <span class="nf">posFourier</span><span class="p">(</span><span class="n">tau</span><span class="p">,</span><span class="n">nH</span><span class="p">,</span><span class="n">psin</span><span class="p">,</span><span class="n">pcos</span><span class="p">):</span> |
| 1503 | <span class="n">SA</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">sin</span><span class="p">(</span><span class="mi">2</span><span class="o">*</span><span class="n">nH</span><span class="o">*</span><span class="n">np</span><span class="o">.</span><span class="n">pi</span><span class="o">*</span><span class="n">tau</span><span class="p">)</span> |
| 1504 | <span class="n">CB</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">cos</span><span class="p">(</span><span class="mi">2</span><span class="o">*</span><span class="n">nH</span><span class="o">*</span><span class="n">np</span><span class="o">.</span><span class="n">pi</span><span class="o">*</span><span class="n">tau</span><span class="p">)</span> |
| 1505 | <span class="n">A</span> <span class="o">=</span> <span class="n">SA</span><span class="p">[</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">,:]</span><span class="o">*</span><span class="n">psin</span><span class="p">[:,:,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">]</span> |
| 1506 | <span class="n">B</span> <span class="o">=</span> <span class="n">CB</span><span class="p">[</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">,:]</span><span class="o">*</span><span class="n">pcos</span><span class="p">[:,:,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">]</span> |
| 1507 | <span class="k">return</span> <span class="n">A</span><span class="o">+</span><span class="n">B</span> |
| 1508 | |
| 1509 | <span class="k">def</span> <span class="nf">posSawtooth</span><span class="p">(</span><span class="n">tau</span><span class="p">,</span><span class="n">Toff</span><span class="p">,</span><span class="n">slopes</span><span class="p">):</span> |
| 1510 | <span class="n">Tau</span> <span class="o">=</span> <span class="p">(</span><span class="n">tau</span><span class="o">-</span><span class="n">Toff</span><span class="p">[:,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">])</span><span class="o">%</span><span class="mf">1.</span> |
| 1511 | <span class="n">A</span> <span class="o">=</span> <span class="n">slopes</span><span class="p">[:,:,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">]</span><span class="o">*</span><span class="n">Tau</span> |
| 1512 | <span class="k">return</span> <span class="n">A</span> |
| 1513 | |
| 1514 | <span class="k">def</span> <span class="nf">posZigZag</span><span class="p">(</span><span class="n">tau</span><span class="p">,</span><span class="n">Toff</span><span class="p">,</span><span class="n">slopes</span><span class="p">):</span> |
| 1515 | <span class="n">Tau</span> <span class="o">=</span> <span class="p">(</span><span class="n">tau</span><span class="o">-</span><span class="n">Toff</span><span class="p">[:,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">])</span><span class="o">%</span><span class="mf">1.</span> |
| 1516 | <span class="n">A</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">where</span><span class="p">(</span><span class="n">Tau</span> <span class="o"><=</span> <span class="mf">0.5</span><span class="p">,</span><span class="n">slopes</span><span class="p">[:,:,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">]</span><span class="o">*</span><span class="n">Tau</span><span class="p">,</span><span class="n">slopes</span><span class="p">[:,:,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">]</span><span class="o">*</span><span class="p">(</span><span class="mf">1.</span><span class="o">-</span><span class="n">Tau</span><span class="p">))</span> |
| 1517 | <span class="k">return</span> <span class="n">A</span> |
| 1518 | |
| 1519 | <span class="k">print</span> <span class="s">'super space group: '</span><span class="p">,</span><span class="n">SSGData</span><span class="p">[</span><span class="s">'SSpGrp'</span><span class="p">]</span> |
| 1520 | <span class="n">CSI</span> <span class="o">=</span> <span class="p">{</span><span class="s">'Sfrac'</span><span class="p">:[[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">]],[[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]]],</span> |
| 1521 | <span class="s">'Spos'</span><span class="p">:[[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">3</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="p">[</span><span class="mi">4</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">5</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">6</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]],</span> |
| 1522 | <span class="p">[[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],</span> <span class="p">[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]]],</span> <span class="c">#sin & cos</span> |
| 1523 | <span class="s">'Sadp'</span><span class="p">:[[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">3</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">4</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">5</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">6</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],</span> |
| 1524 | <span class="p">[</span><span class="mi">7</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">8</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">9</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">10</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">11</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">12</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]],</span> |
| 1525 | <span class="p">[[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],</span> <span class="p">[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],</span> |
| 1526 | <span class="p">[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],</span> <span class="p">[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]]],</span> |
| 1527 | <span class="s">'Smag'</span><span class="p">:[[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">3</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="p">[</span><span class="mi">4</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">5</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">6</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]],</span> |
| 1528 | <span class="p">[[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],</span> <span class="p">[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]]],}</span> |
| 1529 | <span class="n">xyz</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">XYZ</span><span class="p">)</span><span class="o">%</span><span class="mf">1.</span> |
| 1530 | <span class="n">xyzt</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">XYZ</span><span class="o">+</span><span class="p">[</span><span class="mi">0</span><span class="p">,])</span><span class="o">%</span><span class="mf">1.</span> |
| 1531 | <span class="n">SGOps</span> <span class="o">=</span> <span class="n">copy</span><span class="o">.</span><span class="n">deepcopy</span><span class="p">(</span><span class="n">SGData</span><span class="p">[</span><span class="s">'SGOps'</span><span class="p">])</span> |
| 1532 | <span class="n">siteSym</span> <span class="o">=</span> <span class="n">SytSym</span><span class="p">(</span><span class="n">XYZ</span><span class="p">,</span><span class="n">SGData</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">strip</span><span class="p">()</span> |
| 1533 | <span class="k">print</span> <span class="s">'siteSym: '</span><span class="p">,</span><span class="n">siteSym</span> |
| 1534 | <span class="k">if</span> <span class="n">siteSym</span> <span class="o">==</span> <span class="s">'1'</span><span class="p">:</span> <span class="c">#"1" site symmetry</span> |
| 1535 | <span class="k">if</span> <span class="n">debug</span><span class="p">:</span> |
| 1536 | <span class="k">return</span> <span class="n">CSI</span><span class="p">,</span><span class="bp">None</span><span class="p">,</span><span class="bp">None</span><span class="p">,</span><span class="bp">None</span><span class="p">,</span><span class="bp">None</span> |
| 1537 | <span class="k">else</span><span class="p">:</span> |
| 1538 | <span class="k">return</span> <span class="n">CSI</span> |
| 1539 | <span class="k">elif</span> <span class="n">siteSym</span> <span class="o">==</span> <span class="s">'-1'</span><span class="p">:</span> <span class="c">#"-1" site symmetry</span> |
| 1540 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sfrac'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]]</span> |
| 1541 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">3</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="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]]</span> |
| 1542 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],</span> |
| 1543 | <span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">3</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">4</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">5</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">6</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]]</span> |
| 1544 | <span class="k">if</span> <span class="n">debug</span><span class="p">:</span> |
| 1545 | <span class="k">return</span> <span class="n">CSI</span><span class="p">,</span><span class="bp">None</span><span class="p">,</span><span class="bp">None</span><span class="p">,</span><span class="bp">None</span><span class="p">,</span><span class="bp">None</span> |
| 1546 | <span class="k">else</span><span class="p">:</span> |
| 1547 | <span class="k">return</span> <span class="n">CSI</span> |
| 1548 | <span class="n">SSGOps</span> <span class="o">=</span> <span class="n">copy</span><span class="o">.</span><span class="n">deepcopy</span><span class="p">(</span><span class="n">SSGData</span><span class="p">[</span><span class="s">'SSGOps'</span><span class="p">])</span> |
| 1549 | <span class="c">#expand ops to include inversions if any</span> |
| 1550 | <span class="k">if</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGInv'</span><span class="p">]:</span> |
| 1551 | <span class="k">for</span> <span class="n">op</span><span class="p">,</span><span class="n">sop</span> <span class="ow">in</span> <span class="nb">zip</span><span class="p">(</span><span class="n">SGData</span><span class="p">[</span><span class="s">'SGOps'</span><span class="p">],</span><span class="n">SSGData</span><span class="p">[</span><span class="s">'SSGOps'</span><span class="p">]):</span> |
| 1552 | <span class="n">SGOps</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="o">-</span><span class="n">op</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="o">-</span><span class="n">op</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">%</span><span class="mf">1.</span><span class="p">])</span> |
| 1553 | <span class="n">SSGOps</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="o">-</span><span class="n">sop</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="o">-</span><span class="n">sop</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">%</span><span class="mf">1.</span><span class="p">])</span> |
| 1554 | <span class="c">#build set of sym ops around special poasition </span> |
| 1555 | <span class="n">SSop</span> <span class="o">=</span> <span class="p">[]</span> |
| 1556 | <span class="n">Sop</span> <span class="o">=</span> <span class="p">[]</span> |
| 1557 | <span class="n">Sdtau</span> <span class="o">=</span> <span class="p">[]</span> |
| 1558 | <span class="k">for</span> <span class="n">iop</span><span class="p">,</span><span class="n">Op</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">SGOps</span><span class="p">):</span> |
| 1559 | <span class="n">nxyz</span> <span class="o">=</span> <span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">inner</span><span class="p">(</span><span class="n">Op</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">xyz</span><span class="p">)</span><span class="o">+</span><span class="n">Op</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span><span class="o">%</span><span class="mf">1.</span> |
| 1560 | <span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="n">xyz</span><span class="p">,</span><span class="n">nxyz</span><span class="p">,</span><span class="mf">1.e-4</span><span class="p">)</span> <span class="ow">and</span> <span class="n">iop</span> <span class="ow">and</span> <span class="n">MT2text</span><span class="p">(</span><span class="n">Op</span><span class="p">)</span><span class="o">.</span><span class="n">replace</span><span class="p">(</span><span class="s">' '</span><span class="p">,</span><span class="s">''</span><span class="p">)</span> <span class="o">!=</span> <span class="s">'-X,-Y,-Z'</span><span class="p">:</span> |
| 1561 | <span class="n">SSop</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">SSGOps</span><span class="p">[</span><span class="n">iop</span><span class="p">])</span> |
| 1562 | <span class="n">Sop</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">SGOps</span><span class="p">[</span><span class="n">iop</span><span class="p">])</span> |
| 1563 | <span class="n">ssopinv</span> <span class="o">=</span> <span class="n">nl</span><span class="o">.</span><span class="n">inv</span><span class="p">(</span><span class="n">SSGOps</span><span class="p">[</span><span class="n">iop</span><span class="p">][</span><span class="mi">0</span><span class="p">])</span> |
| 1564 | <span class="n">mst</span> <span class="o">=</span> <span class="n">ssopinv</span><span class="p">[</span><span class="mi">3</span><span class="p">][:</span><span class="mi">3</span><span class="p">]</span> |
| 1565 | <span class="n">epsinv</span> <span class="o">=</span> <span class="n">ssopinv</span><span class="p">[</span><span class="mi">3</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> |
| 1566 | <span class="n">Sdtau</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="n">mst</span><span class="o">*</span><span class="p">(</span><span class="n">XYZ</span><span class="o">-</span><span class="n">SGOps</span><span class="p">[</span><span class="n">iop</span><span class="p">][</span><span class="mi">1</span><span class="p">])</span><span class="o">-</span><span class="n">epsinv</span><span class="o">*</span><span class="n">SSGOps</span><span class="p">[</span><span class="n">iop</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]))</span> |
| 1567 | <span class="n">SdIndx</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">argsort</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">Sdtau</span><span class="p">))</span> <span class="c"># just to do in sensible order</span> |
| 1568 | <span class="n">OpText</span> <span class="o">=</span> <span class="p">[</span><span class="n">MT2text</span><span class="p">(</span><span class="n">s</span><span class="p">)</span><span class="o">.</span><span class="n">replace</span><span class="p">(</span><span class="s">' '</span><span class="p">,</span><span class="s">''</span><span class="p">)</span> <span class="k">for</span> <span class="n">s</span> <span class="ow">in</span> <span class="n">Sop</span><span class="p">]</span> <span class="c">#debug?</span> |
| 1569 | <span class="n">SSOpText</span> <span class="o">=</span> <span class="p">[</span><span class="n">SSMT2text</span><span class="p">(</span><span class="n">ss</span><span class="p">)</span><span class="o">.</span><span class="n">replace</span><span class="p">(</span><span class="s">' '</span><span class="p">,</span><span class="s">''</span><span class="p">)</span> <span class="k">for</span> <span class="n">ss</span> <span class="ow">in</span> <span class="n">SSop</span><span class="p">]</span> <span class="c">#debug?</span> |
| 1570 | <span class="k">print</span> <span class="s">'special pos super operators: '</span><span class="p">,</span><span class="n">SSOpText</span> |
| 1571 | <span class="c">#setup displacement arrays</span> |
| 1572 | <span class="n">tau</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">linspace</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">49</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span> |
| 1573 | <span class="n">delt2</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">eye</span><span class="p">(</span><span class="mi">2</span><span class="p">)</span><span class="o">*</span><span class="mf">0.001</span> |
| 1574 | <span class="n">delt4</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">eye</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span><span class="o">*</span><span class="mf">0.001</span> |
| 1575 | <span class="n">delt6</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">eye</span><span class="p">(</span><span class="mi">6</span><span class="p">)</span><span class="o">*</span><span class="mf">0.001</span> |
| 1576 | <span class="n">delt12</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">eye</span><span class="p">(</span><span class="mi">12</span><span class="p">)</span><span class="o">*</span><span class="mf">0.0001</span> |
| 1577 | <span class="c">#make modulation arrays - one parameter at a time</span> |
| 1578 | <span class="c">#site fractions</span> |
| 1579 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sfrac'</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">np</span><span class="o">.</span><span class="n">zeros</span><span class="p">((</span><span class="mi">2</span><span class="p">),</span><span class="n">dtype</span><span class="o">=</span><span class="s">'i'</span><span class="p">),</span><span class="n">np</span><span class="o">.</span><span class="n">ones</span><span class="p">(</span><span class="mi">2</span><span class="p">)]</span> |
| 1580 | <span class="k">if</span> <span class="s">'Crenel'</span> <span class="ow">in</span> <span class="n">waveType</span><span class="p">:</span> |
| 1581 | <span class="n">dF</span> <span class="o">=</span> <span class="n">fracCrenel</span><span class="p">(</span><span class="n">tau</span><span class="p">,</span><span class="n">delt2</span><span class="p">[:</span><span class="mi">1</span><span class="p">],</span><span class="n">delt2</span><span class="p">[</span><span class="mi">1</span><span class="p">:])</span><span class="o">.</span><span class="n">squeeze</span><span class="p">()</span> |
| 1582 | <span class="k">else</span><span class="p">:</span> |
| 1583 | <span class="n">dF</span> <span class="o">=</span> <span class="n">fracFourier</span><span class="p">(</span><span class="n">tau</span><span class="p">,</span><span class="n">nH</span><span class="p">,</span><span class="n">delt2</span><span class="p">[:</span><span class="mi">1</span><span class="p">],</span><span class="n">delt2</span><span class="p">[</span><span class="mi">1</span><span class="p">:])</span><span class="o">.</span><span class="n">squeeze</span><span class="p">()</span> |
| 1584 | <span class="n">dFT</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">zeros_like</span><span class="p">(</span><span class="n">dF</span><span class="p">)</span> |
| 1585 | <span class="c">#positions </span> |
| 1586 | <span class="k">if</span> <span class="s">'Fourier'</span> <span class="ow">in</span> <span class="n">waveType</span><span class="p">:</span> |
| 1587 | <span class="n">dX</span> <span class="o">=</span> <span class="n">posFourier</span><span class="p">(</span><span class="n">tau</span><span class="p">,</span><span class="n">nH</span><span class="p">,</span><span class="n">delt6</span><span class="p">[:</span><span class="mi">3</span><span class="p">],</span><span class="n">delt6</span><span class="p">[</span><span class="mi">3</span><span class="p">:])</span> <span class="c">#+np.array(XYZ)[:,np.newaxis,np.newaxis]</span> |
| 1588 | <span class="c">#3x6x12 modulated position array (X,Spos,tau)& force positive</span> |
| 1589 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">np</span><span class="o">.</span><span class="n">zeros</span><span class="p">((</span><span class="mi">6</span><span class="p">,</span><span class="mi">3</span><span class="p">),</span><span class="n">dtype</span><span class="o">=</span><span class="s">'i'</span><span class="p">),</span><span class="n">np</span><span class="o">.</span><span class="n">zeros</span><span class="p">((</span><span class="mi">6</span><span class="p">,</span><span class="mi">3</span><span class="p">))]</span> |
| 1590 | <span class="k">elif</span> <span class="n">waveType</span> <span class="o">==</span> <span class="s">'Sawtooth'</span><span class="p">:</span> |
| 1591 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">([[</span><span class="mi">1</span><span class="p">,],[</span><span class="mi">2</span><span class="p">,],[</span><span class="mi">3</span><span class="p">,],[</span><span class="mi">4</span><span class="p">,]]),</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">([[</span><span class="mf">1.0</span><span class="p">,],[</span><span class="mf">1.0</span><span class="p">,],[</span><span class="mf">1.0</span><span class="p">,],[</span><span class="mf">1.0</span><span class="p">,]])]</span> |
| 1592 | <span class="k">elif</span> <span class="n">waveType</span> <span class="o">==</span> <span class="s">'ZigZag'</span><span class="p">:</span> |
| 1593 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">([[</span><span class="mi">1</span><span class="p">,],[</span><span class="mi">2</span><span class="p">,],[</span><span class="mi">3</span><span class="p">,],[</span><span class="mi">4</span><span class="p">,]]),</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">([[</span><span class="mf">1.0</span><span class="p">,],[</span><span class="mf">1.0</span><span class="p">,],[</span><span class="mf">1.0</span><span class="p">,],[</span><span class="mf">1.0</span><span class="p">,]])]</span> |
| 1594 | <span class="c">#anisotropic thermal motion</span> |
| 1595 | <span class="n">dU</span> <span class="o">=</span> <span class="n">posFourier</span><span class="p">(</span><span class="n">tau</span><span class="p">,</span><span class="n">nH</span><span class="p">,</span><span class="n">delt12</span><span class="p">[:</span><span class="mi">6</span><span class="p">],</span><span class="n">delt12</span><span class="p">[</span><span class="mi">6</span><span class="p">:])</span> <span class="c">#Uij modulations - 6x12x12 array</span> |
| 1596 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">np</span><span class="o">.</span><span class="n">zeros</span><span class="p">((</span><span class="mi">12</span><span class="p">,</span><span class="mi">3</span><span class="p">),</span><span class="n">dtype</span><span class="o">=</span><span class="s">'i'</span><span class="p">),</span><span class="n">np</span><span class="o">.</span><span class="n">zeros</span><span class="p">((</span><span class="mi">12</span><span class="p">,</span><span class="mi">3</span><span class="p">))]</span> |
| 1597 | |
| 1598 | <span class="n">FSC</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">ones</span><span class="p">(</span><span class="mi">2</span><span class="p">,</span><span class="n">dtype</span><span class="o">=</span><span class="s">'i'</span><span class="p">)</span> |
| 1599 | <span class="n">VFSC</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">ones</span><span class="p">(</span><span class="mi">2</span><span class="p">)</span> |
| 1600 | <span class="n">XSC</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">ones</span><span class="p">(</span><span class="mi">6</span><span class="p">,</span><span class="n">dtype</span><span class="o">=</span><span class="s">'i'</span><span class="p">)</span> |
| 1601 | <span class="n">USC</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">ones</span><span class="p">(</span><span class="mi">12</span><span class="p">,</span><span class="n">dtype</span><span class="o">=</span><span class="s">'i'</span><span class="p">)</span> |
| 1602 | <span class="n">dFTP</span> <span class="o">=</span> <span class="p">[]</span> |
| 1603 | <span class="n">dXTP</span> <span class="o">=</span> <span class="p">[]</span> |
| 1604 | <span class="n">dUTP</span> <span class="o">=</span> <span class="p">[]</span> |
| 1605 | <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="n">SdIndx</span><span class="p">:</span> |
| 1606 | <span class="n">sop</span> <span class="o">=</span> <span class="n">Sop</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 1607 | <span class="n">ssop</span> <span class="o">=</span> <span class="n">SSop</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> |
| 1608 | <span class="n">fsc</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">ones</span><span class="p">(</span><span class="mi">2</span><span class="p">,</span><span class="n">dtype</span><span class="o">=</span><span class="s">'i'</span><span class="p">)</span> |
| 1609 | <span class="n">xsc</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">ones</span><span class="p">(</span><span class="mi">6</span><span class="p">,</span><span class="n">dtype</span><span class="o">=</span><span class="s">'i'</span><span class="p">)</span> |
| 1610 | <span class="n">ssopinv</span> <span class="o">=</span> <span class="n">nl</span><span class="o">.</span><span class="n">inv</span><span class="p">(</span><span class="n">ssop</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span> |
| 1611 | <span class="n">mst</span> <span class="o">=</span> <span class="n">ssopinv</span><span class="p">[</span><span class="mi">3</span><span class="p">][:</span><span class="mi">3</span><span class="p">]</span> |
| 1612 | <span class="n">epsinv</span> <span class="o">=</span> <span class="n">ssopinv</span><span class="p">[</span><span class="mi">3</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> |
| 1613 | <span class="n">sdet</span> <span class="o">=</span> <span class="n">nl</span><span class="o">.</span><span class="n">det</span><span class="p">(</span><span class="n">sop</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span> |
| 1614 | <span class="n">ssdet</span> <span class="o">=</span> <span class="n">nl</span><span class="o">.</span><span class="n">det</span><span class="p">(</span><span class="n">ssop</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span> |
| 1615 | <span class="n">dtau</span> <span class="o">=</span> <span class="n">mst</span><span class="o">*</span><span class="p">(</span><span class="n">XYZ</span><span class="o">-</span><span class="n">sop</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span><span class="o">-</span><span class="n">epsinv</span><span class="o">*</span><span class="n">ssop</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span> |
| 1616 | <span class="n">dT</span> <span class="o">=</span> <span class="mf">1.0</span> |
| 1617 | <span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">any</span><span class="p">(</span><span class="n">dtau</span><span class="o">%.</span><span class="mi">5</span><span class="p">):</span> |
| 1618 | <span class="n">dT</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">tan</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">pi</span><span class="o">*</span><span class="n">np</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="n">dtau</span><span class="o">%.</span><span class="mi">5</span><span class="p">))</span> |
| 1619 | <span class="n">tauT</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">inner</span><span class="p">(</span><span class="n">mst</span><span class="p">,</span><span class="n">XYZ</span><span class="o">-</span><span class="n">sop</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span><span class="o">+</span><span class="n">epsinv</span><span class="o">*</span><span class="p">(</span><span class="n">tau</span><span class="o">-</span><span class="n">ssop</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">])</span> |
| 1620 | <span class="k">if</span> <span class="n">waveType</span> <span class="o">==</span> <span class="s">'Fourier'</span><span class="p">:</span> |
| 1621 | <span class="n">dXT</span> <span class="o">=</span> <span class="n">posFourier</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">sort</span><span class="p">(</span><span class="n">tauT</span><span class="p">),</span><span class="n">nH</span><span class="p">,</span><span class="n">delt6</span><span class="p">[:</span><span class="mi">3</span><span class="p">],</span><span class="n">delt6</span><span class="p">[</span><span class="mi">3</span><span class="p">:])</span> <span class="c">#+np.array(XYZ)[:,np.newaxis,np.newaxis]</span> |
| 1622 | <span class="k">elif</span> <span class="n">waveType</span> <span class="o">==</span> <span class="s">'Sawtooth'</span><span class="p">:</span> |
| 1623 | <span class="n">dXT</span> <span class="o">=</span> <span class="n">posSawtooth</span><span class="p">(</span><span class="n">tauT</span><span class="p">,</span><span class="n">delt4</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">delt4</span><span class="p">[</span><span class="mi">1</span><span class="p">:])</span><span class="o">+</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">XYZ</span><span class="p">)[:,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">]</span> |
| 1624 | <span class="k">elif</span> <span class="n">waveType</span> <span class="o">==</span> <span class="s">'ZigZag'</span><span class="p">:</span> |
| 1625 | <span class="n">dXT</span> <span class="o">=</span> <span class="n">posZigZag</span><span class="p">(</span><span class="n">tauT</span><span class="p">,</span><span class="n">delt4</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">delt4</span><span class="p">[</span><span class="mi">1</span><span class="p">:])</span><span class="o">+</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">XYZ</span><span class="p">)[:,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">]</span> |
| 1626 | <span class="n">dXT</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">inner</span><span class="p">(</span><span class="n">sop</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">dXT</span><span class="o">.</span><span class="n">T</span><span class="p">)</span> |
| 1627 | <span class="n">dXT</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">swapaxes</span><span class="p">(</span><span class="n">dXT</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">)</span> |
| 1628 | <span class="n">dXT</span><span class="p">[:,:</span><span class="mi">3</span><span class="p">,:]</span> <span class="o">*=</span> <span class="n">ssdet</span> |
| 1629 | <span class="n">dXTP</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">dXT</span><span class="p">)</span> |
| 1630 | <span class="k">if</span> <span class="n">waveType</span> <span class="o">==</span> <span class="s">'Fourier'</span><span class="p">:</span> |
| 1631 | <span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">any</span><span class="p">(</span><span class="n">dtau</span><span class="o">%.</span><span class="mi">5</span><span class="p">)</span> <span class="ow">and</span> <span class="p">(</span><span class="s">'1/2'</span> <span class="ow">in</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">]</span> <span class="ow">or</span> <span class="s">'1'</span> <span class="ow">in</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">]):</span> |
| 1632 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">3</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="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">3</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]],</span> |
| 1633 | <span class="p">[[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],</span> <span class="p">[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]]]</span> |
| 1634 | <span class="k">if</span> <span class="s">'(x)'</span> <span class="ow">in</span> <span class="n">siteSym</span><span class="p">:</span> |
| 1635 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">:]</span> <span class="o">=</span> <span class="p">[</span><span class="mf">1.</span><span class="o">/</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="o">-</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="o">-</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span> |
| 1636 | <span class="k">if</span> <span class="s">'m'</span> <span class="ow">in</span> <span class="n">siteSym</span> <span class="ow">and</span> <span class="nb">len</span><span class="p">(</span><span class="n">SdIndx</span><span class="p">)</span> <span class="o">==</span> <span class="mi">1</span><span class="p">:</span> |
| 1637 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">:]</span> <span class="o">=</span> <span class="p">[</span><span class="o">-</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="o">/</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="o">/</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span> |
| 1638 | <span class="k">elif</span> <span class="s">'(y)'</span> <span class="ow">in</span> <span class="n">siteSym</span><span class="p">:</span> |
| 1639 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">:]</span> <span class="o">=</span> <span class="p">[</span><span class="o">-</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="o">/</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="o">-</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span> |
| 1640 | <span class="k">if</span> <span class="s">'m'</span> <span class="ow">in</span> <span class="n">siteSym</span> <span class="ow">and</span> <span class="nb">len</span><span class="p">(</span><span class="n">SdIndx</span><span class="p">)</span> <span class="o">==</span> <span class="mi">1</span><span class="p">:</span> |
| 1641 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">:]</span> <span class="o">=</span> <span class="p">[</span><span class="mf">1.</span><span class="o">/</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="o">-</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="o">/</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span> |
| 1642 | <span class="k">elif</span> <span class="s">'(z)'</span> <span class="ow">in</span> <span class="n">siteSym</span><span class="p">:</span> |
| 1643 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">:]</span> <span class="o">=</span> <span class="p">[</span><span class="o">-</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="o">-</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="o">/</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span> |
| 1644 | <span class="k">if</span> <span class="s">'m'</span> <span class="ow">in</span> <span class="n">siteSym</span> <span class="ow">and</span> <span class="nb">len</span><span class="p">(</span><span class="n">SdIndx</span><span class="p">)</span> <span class="o">==</span> <span class="mi">1</span><span class="p">:</span> |
| 1645 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">:]</span> <span class="o">=</span> <span class="p">[</span><span class="mf">1.</span><span class="o">/</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="o">/</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="o">-</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span> |
| 1646 | <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">3</span><span class="p">):</span> |
| 1647 | <span class="k">if</span> <span class="ow">not</span> <span class="n">XSC</span><span class="p">[</span><span class="n">i</span><span class="p">]:</span> |
| 1648 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]</span> |
| 1649 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span> |
| 1650 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">i</span><span class="o">+</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]</span> |
| 1651 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="n">i</span><span class="o">+</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span> |
| 1652 | <span class="k">elif</span> <span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="n">dX</span><span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,:],</span><span class="n">dXT</span><span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,:]</span><span class="o">*</span><span class="n">sdet</span><span class="p">):</span> |
| 1653 | <span class="k">if</span> <span class="s">'xy'</span> <span class="ow">in</span> <span class="n">siteSym</span> <span class="ow">or</span> <span class="s">'+-0'</span> <span class="ow">in</span> <span class="n">siteSym</span><span class="p">:</span> |
| 1654 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">3</span><span class="p">:</span><span class="mi">5</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">12</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">12</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]]</span> |
| 1655 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">:</span><span class="mi">5</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mf">1.</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="n">sdet</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]]</span> |
| 1656 | <span class="n">xsc</span><span class="p">[</span><span class="mi">3</span><span class="p">:</span><span class="mi">5</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span> |
| 1657 | <span class="k">else</span><span class="p">:</span> |
| 1658 | <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">3</span><span class="p">):</span> |
| 1659 | <span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="n">dX</span><span class="p">[</span><span class="n">i</span><span class="p">,</span><span class="n">i</span><span class="p">,:],</span><span class="n">dXT</span><span class="p">[</span><span class="n">i</span><span class="p">,</span><span class="n">i</span><span class="p">,:]</span><span class="o">*</span><span class="n">sdet</span><span class="p">):</span> |
| 1660 | <span class="n">xsc</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="mi">1</span> |
| 1661 | <span class="k">else</span><span class="p">:</span> |
| 1662 | <span class="n">xsc</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span> |
| 1663 | <span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="n">dX</span><span class="p">[</span><span class="n">i</span><span class="p">,</span><span class="n">i</span><span class="o">+</span><span class="mi">3</span><span class="p">,:],</span><span class="n">dXT</span><span class="p">[</span><span class="n">i</span><span class="p">,</span><span class="n">i</span><span class="o">+</span><span class="mi">3</span><span class="p">,:]):</span> |
| 1664 | <span class="n">xsc</span><span class="p">[</span><span class="n">i</span><span class="o">+</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="mi">1</span> |
| 1665 | <span class="k">else</span><span class="p">:</span> |
| 1666 | <span class="n">xsc</span><span class="p">[</span><span class="n">i</span><span class="o">+</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span> |
| 1667 | <span class="n">XSC</span> <span class="o">&=</span> <span class="n">xsc</span> |
| 1668 | |
| 1669 | <span class="n">fsc</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">ones</span><span class="p">(</span><span class="mi">2</span><span class="p">,</span><span class="n">dtype</span><span class="o">=</span><span class="s">'i'</span><span class="p">)</span> |
| 1670 | <span class="k">if</span> <span class="s">'Crenel'</span> <span class="ow">in</span> <span class="n">waveType</span><span class="p">:</span> |
| 1671 | <span class="n">dFT</span> <span class="o">=</span> <span class="n">fracCrenel</span><span class="p">(</span><span class="n">tauT</span><span class="p">,</span><span class="n">delt2</span><span class="p">[:</span><span class="mi">1</span><span class="p">],</span><span class="n">delt2</span><span class="p">[</span><span class="mi">1</span><span class="p">:])</span><span class="o">.</span><span class="n">squeeze</span><span class="p">()</span> |
| 1672 | <span class="n">fsc</span> <span class="o">=</span> <span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">]</span> |
| 1673 | <span class="k">else</span><span class="p">:</span> |
| 1674 | <span class="n">dFT</span> <span class="o">=</span> <span class="n">fracFourier</span><span class="p">(</span><span class="n">tauT</span><span class="p">,</span><span class="n">nH</span><span class="p">,</span><span class="n">delt2</span><span class="p">[:</span><span class="mi">1</span><span class="p">],</span><span class="n">delt2</span><span class="p">[</span><span class="mi">1</span><span class="p">:])</span><span class="o">.</span><span class="n">squeeze</span><span class="p">()</span> |
| 1675 | <span class="n">dFT</span> <span class="o">=</span> <span class="n">nl</span><span class="o">.</span><span class="n">det</span><span class="p">(</span><span class="n">sop</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span><span class="o">*</span><span class="n">dFT</span> |
| 1676 | <span class="n">dFT</span> <span class="o">=</span> <span class="n">dFT</span><span class="p">[:,</span><span class="n">np</span><span class="o">.</span><span class="n">argsort</span><span class="p">(</span><span class="n">tauT</span><span class="p">)]</span> |
| 1677 | <span class="n">dFT</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">*=</span> <span class="n">ssdet</span> |
| 1678 | <span class="n">dFT</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">*=</span> <span class="n">sdet</span> |
| 1679 | <span class="n">dFTP</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">dFT</span><span class="p">)</span> |
| 1680 | |
| 1681 | <span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">any</span><span class="p">(</span><span class="n">dtau</span><span class="o">%.</span><span class="mi">5</span><span class="p">)</span> <span class="ow">and</span> <span class="p">(</span><span class="s">'1/2'</span> <span class="ow">in</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">]</span> <span class="ow">or</span> <span class="s">'1'</span> <span class="ow">in</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">]):</span> |
| 1682 | <span class="n">fsc</span> <span class="o">=</span> <span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">]</span> |
| 1683 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sfrac'</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">]],[[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mi">1</span><span class="o">/</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">]]]</span> |
| 1684 | <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">2</span><span class="p">):</span> |
| 1685 | <span class="k">if</span> <span class="ow">not</span> <span class="n">FSC</span><span class="p">[</span><span class="n">i</span><span class="p">]:</span> |
| 1686 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sfrac'</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]</span> |
| 1687 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sfrac'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span> |
| 1688 | <span class="k">else</span><span class="p">:</span> |
| 1689 | <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">2</span><span class="p">):</span> |
| 1690 | <span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="n">dF</span><span class="p">[</span><span class="n">i</span><span class="p">,:],</span><span class="n">dFT</span><span class="p">[</span><span class="n">i</span><span class="p">,:],</span><span class="n">atol</span><span class="o">=</span><span class="mf">1.e-6</span><span class="p">):</span> |
| 1691 | <span class="n">fsc</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="mi">1</span> |
| 1692 | <span class="k">else</span><span class="p">:</span> |
| 1693 | <span class="n">fsc</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span> |
| 1694 | <span class="n">FSC</span> <span class="o">&=</span> <span class="n">fsc</span> |
| 1695 | |
| 1696 | <span class="n">usc</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">ones</span><span class="p">(</span><span class="mi">12</span><span class="p">,</span><span class="n">dtype</span><span class="o">=</span><span class="s">'i'</span><span class="p">)</span> |
| 1697 | <span class="n">dUT</span> <span class="o">=</span> <span class="n">posFourier</span><span class="p">(</span><span class="n">tauT</span><span class="p">,</span><span class="n">nH</span><span class="p">,</span><span class="n">delt12</span><span class="p">[:</span><span class="mi">6</span><span class="p">],</span><span class="n">delt12</span><span class="p">[</span><span class="mi">6</span><span class="p">:])</span> <span class="c">#Uij modulations - 6x12x49 array</span> |
| 1698 | <span class="n">dUijT</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">rollaxis</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">rollaxis</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">Uij2U</span><span class="p">(</span><span class="n">dUT</span><span class="p">)),</span><span class="mi">3</span><span class="p">),</span><span class="mi">3</span><span class="p">)</span> <span class="c">#convert dUT to 12x49x3x3 </span> |
| 1699 | <span class="n">dUijT</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">rollaxis</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">inner</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">inner</span><span class="p">(</span><span class="n">sop</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">dUijT</span><span class="p">),</span><span class="n">sop</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">T</span><span class="p">),</span><span class="mi">3</span><span class="p">)</span> |
| 1700 | <span class="n">dUT</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">U2Uij</span><span class="p">(</span><span class="n">dUijT</span><span class="p">))</span> |
| 1701 | <span class="n">dUT</span> <span class="o">=</span> <span class="n">dUT</span><span class="p">[:,:,</span><span class="n">np</span><span class="o">.</span><span class="n">argsort</span><span class="p">(</span><span class="n">tauT</span><span class="p">)]</span> |
| 1702 | <span class="n">dUTP</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">dUT</span><span class="p">)</span> |
| 1703 | <span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">any</span><span class="p">(</span><span class="n">dtau</span><span class="o">%.</span><span class="mi">5</span><span class="p">)</span> <span class="ow">and</span> <span class="p">(</span><span class="s">'1/2'</span> <span class="ow">in</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">]</span> <span class="ow">or</span> <span class="s">'1'</span> <span class="ow">in</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">'modSymb'</span><span class="p">]):</span> |
| 1704 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">3</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">4</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">5</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">6</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],</span> |
| 1705 | <span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">3</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">4</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">5</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">6</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]],</span> |
| 1706 | <span class="p">[[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],</span> <span class="p">[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],</span> |
| 1707 | <span class="p">[</span><span class="mf">1.</span><span class="o">/</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="o">/</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="o">/</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],</span> <span class="p">[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]]]</span> |
| 1708 | <span class="k">if</span> <span class="s">'(x)'</span> <span class="ow">in</span> <span class="n">siteSym</span><span class="p">:</span> |
| 1709 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">9</span><span class="p">:]</span> <span class="o">=</span> <span class="p">[</span><span class="o">-</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="o">-</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="o">/</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span> |
| 1710 | <span class="k">elif</span> <span class="s">'(y)'</span> <span class="ow">in</span> <span class="n">siteSym</span><span class="p">:</span> |
| 1711 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">9</span><span class="p">:]</span> <span class="o">=</span> <span class="p">[</span><span class="o">-</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="o">/</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="o">-</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span> |
| 1712 | <span class="k">elif</span> <span class="s">'(z)'</span> <span class="ow">in</span> <span class="n">siteSym</span><span class="p">:</span> |
| 1713 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">9</span><span class="p">:]</span> <span class="o">=</span> <span class="p">[</span><span class="mf">1.</span><span class="o">/</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="o">-</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="o">-</span><span class="n">dT</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span> |
| 1714 | <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">6</span><span class="p">):</span> |
| 1715 | <span class="k">if</span> <span class="ow">not</span> <span class="n">USC</span><span class="p">[</span><span class="n">i</span><span class="p">]:</span> |
| 1716 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]</span> |
| 1717 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span> |
| 1718 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">i</span><span class="o">+</span><span class="mi">6</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]</span> |
| 1719 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="n">i</span><span class="o">+</span><span class="mi">6</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span> |
| 1720 | <span class="k">else</span><span class="p">:</span> |
| 1721 | |
| 1722 | <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">6</span><span class="p">):</span> |
| 1723 | <span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="n">dU</span><span class="p">[</span><span class="n">i</span><span class="p">,</span><span class="n">i</span><span class="p">,:],</span><span class="n">dUT</span><span class="p">[</span><span class="n">i</span><span class="p">,</span><span class="n">i</span><span class="p">,:]</span><span class="o">*</span><span class="n">sdet</span><span class="p">):</span> |
| 1724 | <span class="n">usc</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="mi">1</span> |
| 1725 | <span class="k">else</span><span class="p">:</span> |
| 1726 | <span class="n">usc</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span> |
| 1727 | <span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="n">dU</span><span class="p">[</span><span class="n">i</span><span class="p">,</span><span class="n">i</span><span class="o">+</span><span class="mi">6</span><span class="p">,:],</span><span class="n">dUT</span><span class="p">[</span><span class="n">i</span><span class="p">,</span><span class="n">i</span><span class="o">+</span><span class="mi">6</span><span class="p">,:]):</span> |
| 1728 | <span class="n">usc</span><span class="p">[</span><span class="n">i</span><span class="o">+</span><span class="mi">6</span><span class="p">]</span> <span class="o">=</span> <span class="mi">1</span> |
| 1729 | <span class="k">else</span><span class="p">:</span> |
| 1730 | <span class="n">usc</span><span class="p">[</span><span class="n">i</span><span class="o">+</span><span class="mi">6</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span> |
| 1731 | <span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">any</span><span class="p">(</span><span class="n">dUT</span><span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,:]):</span> |
| 1732 | <span class="k">if</span> <span class="s">'4/m'</span> <span class="ow">in</span> <span class="n">siteSym</span><span class="p">:</span> |
| 1733 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">6</span><span class="p">:</span><span class="mi">8</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">12</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">12</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]]</span> |
| 1734 | <span class="k">if</span> <span class="n">ssop</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]:</span> |
| 1735 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">6</span><span class="p">:</span><span class="mi">8</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="o">-</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]]</span> |
| 1736 | <span class="n">usc</span><span class="p">[</span><span class="mi">9</span><span class="p">]</span> <span class="o">=</span> <span class="mi">1</span> |
| 1737 | <span class="k">else</span><span class="p">:</span> |
| 1738 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">6</span><span class="p">:</span><span class="mi">8</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]]</span> |
| 1739 | <span class="n">usc</span><span class="p">[</span><span class="mi">9</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span> |
| 1740 | <span class="k">elif</span> <span class="s">'4'</span> <span class="ow">in</span> <span class="n">siteSym</span><span class="p">:</span> |
| 1741 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">6</span><span class="p">:</span><span class="mi">8</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">12</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">12</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]]</span> |
| 1742 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">0</span><span class="p">][:</span><span class="mi">2</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">11</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">11</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]]</span> |
| 1743 | <span class="k">if</span> <span class="n">ssop</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">3</span><span class="p">]:</span> |
| 1744 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">1</span><span class="p">][:</span><span class="mi">2</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="o">-</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]]</span> |
| 1745 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">6</span><span class="p">:</span><span class="mi">8</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="o">-</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]]</span> |
| 1746 | <span class="n">usc</span><span class="p">[</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="mi">1</span> |
| 1747 | <span class="n">usc</span><span class="p">[</span><span class="mi">9</span><span class="p">]</span> <span class="o">=</span> <span class="mi">1</span> |
| 1748 | <span class="k">else</span><span class="p">:</span> |
| 1749 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">1</span><span class="p">][:</span><span class="mi">2</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]]</span> |
| 1750 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">6</span><span class="p">:</span><span class="mi">8</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]]</span> |
| 1751 | <span class="n">usc</span><span class="p">[</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span> |
| 1752 | <span class="n">usc</span><span class="p">[</span><span class="mi">9</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span> |
| 1753 | <span class="k">elif</span> <span class="s">'xy'</span> <span class="ow">in</span> <span class="n">siteSym</span> <span class="ow">or</span> <span class="s">'+-0'</span> <span class="ow">in</span> <span class="n">siteSym</span><span class="p">:</span> |
| 1754 | <span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="n">dU</span><span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,:],</span><span class="n">dUT</span><span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,:]</span><span class="o">*</span><span class="n">sdet</span><span class="p">):</span> |
| 1755 | <span class="k">print</span> <span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="n">dU</span><span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,:],</span><span class="n">dUT</span><span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,:]</span><span class="o">*</span><span class="n">sdet</span><span class="p">),</span><span class="n">sdet</span> |
| 1756 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">4</span><span class="p">:</span><span class="mi">6</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">12</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">12</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]]</span> |
| 1757 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="mi">6</span><span class="p">:</span><span class="mi">8</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">11</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">11</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]]</span> |
| 1758 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">4</span><span class="p">:</span><span class="mi">6</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="n">sdet</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]]</span> |
| 1759 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="mi">6</span><span class="p">:</span><span class="mi">8</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mf">1.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">],[</span><span class="n">sdet</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]]</span> |
| 1760 | <span class="n">usc</span><span class="p">[</span><span class="mi">4</span><span class="p">:</span><span class="mi">6</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span> |
| 1761 | <span class="n">usc</span><span class="p">[</span><span class="mi">6</span><span class="p">:</span><span class="mi">8</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span> |
| 1762 | |
| 1763 | <span class="k">print</span> <span class="n">SSMT2text</span><span class="p">(</span><span class="n">ssop</span><span class="p">)</span><span class="o">.</span><span class="n">replace</span><span class="p">(</span><span class="s">' '</span><span class="p">,</span><span class="s">''</span><span class="p">),</span><span class="n">sdet</span><span class="p">,</span><span class="n">ssdet</span><span class="p">,</span><span class="n">epsinv</span><span class="p">,</span><span class="n">usc</span> |
| 1764 | <span class="n">USC</span> <span class="o">&=</span> <span class="n">usc</span> |
| 1765 | <span class="k">if</span> <span class="ow">not</span> <span class="n">np</span><span class="o">.</span><span class="n">any</span><span class="p">(</span><span class="n">dtau</span><span class="o">%.</span><span class="mi">5</span><span class="p">):</span> |
| 1766 | <span class="n">n</span> <span class="o">=</span> <span class="o">-</span><span class="mi">1</span> |
| 1767 | <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">U</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">USC</span><span class="p">):</span> |
| 1768 | <span class="k">if</span> <span class="n">U</span><span class="p">:</span> |
| 1769 | <span class="n">n</span> <span class="o">+=</span> <span class="mi">1</span> |
| 1770 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">i</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">n</span><span class="o">+</span><span class="mi">1</span> |
| 1771 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="n">i</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="mf">1.0</span> |
| 1772 | <span class="k">if</span> <span class="n">waveType</span> <span class="o">==</span> <span class="s">'Fourier'</span><span class="p">:</span> |
| 1773 | <span class="n">n</span> <span class="o">=</span> <span class="o">-</span><span class="mi">1</span> |
| 1774 | <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">X</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">XSC</span><span class="p">):</span> |
| 1775 | <span class="k">if</span> <span class="n">X</span><span class="p">:</span> |
| 1776 | <span class="n">n</span> <span class="o">+=</span> <span class="mi">1</span> |
| 1777 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">i</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">n</span><span class="o">+</span><span class="mi">1</span> |
| 1778 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="n">i</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="mf">1.0</span> |
| 1779 | <span class="n">n</span> <span class="o">=</span> <span class="o">-</span><span class="mi">1</span> |
| 1780 | <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">F</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">FSC</span><span class="p">):</span> |
| 1781 | <span class="k">if</span> <span class="n">F</span><span class="p">:</span> |
| 1782 | <span class="n">n</span> <span class="o">+=</span> <span class="mi">1</span> |
| 1783 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sfrac'</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="n">n</span><span class="o">+</span><span class="mi">1</span> |
| 1784 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sfrac'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="mf">1.0</span> |
| 1785 | <span class="k">else</span><span class="p">:</span> |
| 1786 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sfrac'</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span> |
| 1787 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sfrac'</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="mf">0.</span> |
| 1788 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">orderParms</span><span class="p">(</span><span class="n">CSI</span><span class="p">[</span><span class="s">'Spos'</span><span class="p">][</span><span class="mi">0</span><span class="p">])</span> |
| 1789 | <span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">orderParms</span><span class="p">(</span><span class="n">CSI</span><span class="p">[</span><span class="s">'Sadp'</span><span class="p">][</span><span class="mi">0</span><span class="p">])</span> |
| 1790 | <span class="k">if</span> <span class="n">debug</span><span class="p">:</span> |
| 1791 | <span class="k">return</span> <span class="n">CSI</span><span class="p">,[</span><span class="n">tau</span><span class="p">,</span><span class="n">tauT</span><span class="p">],[</span><span class="n">dF</span><span class="p">,</span><span class="n">dFTP</span><span class="p">],[</span><span class="n">dX</span><span class="p">,</span><span class="n">dXTP</span><span class="p">],[</span><span class="n">dU</span><span class="p">,</span><span class="n">dUTP</span><span class="p">]</span> |
| 1792 | <span class="k">else</span><span class="p">:</span> |
| 1793 | <span class="k">return</span> <span class="n">CSI</span> |
| 1794 | |
| 2289 | <span class="n">ssdict</span> <span class="o">=</span> <span class="p">{}</span> |
| 2290 | <span class="sd">'''A dictionary of superspace group symbols allowed for each entry in spglist</span> |
| 2291 | <span class="sd">(except cubics). Monoclinics are all b-unique setting.</span> |
| 2292 | <span class="sd">'''</span> |
| 2293 | <span class="n">ssdict</span> <span class="o">=</span> <span class="p">{</span> |
| 2294 | <span class="c">#1,2</span> |
| 2295 | <span class="s">'P 1'</span><span class="p">:[</span><span class="s">'(abg)'</span><span class="p">,],</span><span class="s">'P -1'</span><span class="p">:[</span><span class="s">'(abg)'</span><span class="p">,],</span> |
| 2296 | <span class="c">#monoclinic - done</span> |
| 2297 | <span class="c">#3</span> |
| 2298 | <span class="s">'P 2'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(a1/2g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2299 | <span class="c">#4 </span> |
| 2300 | <span class="s">'P 21'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2301 | <span class="c">#5</span> |
| 2302 | <span class="s">'C 2'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2303 | <span class="c">#6</span> |
| 2304 | <span class="s">'P m'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(a0g)s'</span><span class="p">,</span><span class="s">'(a1/2g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2305 | <span class="c">#7</span> |
| 2306 | <span class="s">'P a'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(a1/2g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2307 | <span class="s">'P c'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(a1/2g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,],</span> |
| 2308 | <span class="s">'P n'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(a1/2g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,],</span> |
| 2309 | <span class="c">#8 </span> |
| 2310 | <span class="s">'C m'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(a0g)s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2311 | <span class="c">#9 </span> |
| 2312 | <span class="s">'C c'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(a0g)s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,],</span> |
| 2313 | <span class="s">'C n'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(a0g)s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,],</span> |
| 2314 | <span class="c">#10 </span> |
| 2315 | <span class="s">'P 2/m'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(a0g)0s'</span><span class="p">,</span><span class="s">'(a1/2g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s0'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2316 | <span class="c">#11</span> |
| 2317 | <span class="s">'P 21/m'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(a0g)0s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s0'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2318 | <span class="c">#12 </span> |
| 2319 | <span class="s">'C 2/m'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(a0g)0s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s0'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2320 | <span class="c">#13</span> |
| 2321 | <span class="s">'P 2/c'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(a0g)0s'</span><span class="p">,</span><span class="s">'(a1/2g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s0'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,],</span> |
| 2322 | <span class="s">'P 2/a'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(a0g)0s'</span><span class="p">,</span><span class="s">'(a1/2g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s0'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2323 | <span class="s">'P 2/n'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(a0g)0s'</span><span class="p">,</span><span class="s">'(a1/2g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s0'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,],</span> |
| 2324 | <span class="c">#14</span> |
| 2325 | <span class="s">'P 21/c'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,],</span> |
| 2326 | <span class="s">'P 21/a'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2327 | <span class="s">'P 21/n'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,],</span> |
| 2328 | <span class="c">#15</span> |
| 2329 | <span class="s">'C 2/c'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s0'</span><span class="p">,],</span> |
| 2330 | <span class="s">'C 2/n'</span><span class="p">:[</span><span class="s">'(a0g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s0'</span><span class="p">,],</span> |
| 2331 | <span class="c">#orthorhombic</span> |
| 2332 | <span class="c">#16 </span> |
| 2333 | <span class="s">'P 2 2 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00s'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span> |
| 2334 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">,</span> |
| 2335 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,],</span> |
| 2336 | <span class="c">#17 </span> |
| 2337 | <span class="s">'P 2 2 21'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span> |
| 2338 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,],</span> |
| 2339 | <span class="s">'P 21 2 2'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">,</span> |
| 2340 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00s'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,],</span> |
| 2341 | <span class="s">'P 2 21 2'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,</span> |
| 2342 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00s'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,],</span> |
| 2343 | <span class="c">#18 </span> |
| 2344 | <span class="s">'P 21 21 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00s'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2345 | <span class="s">'P 2 21 21'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,],</span> |
| 2346 | <span class="s">'P 21 2 21'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,],</span> |
| 2347 | <span class="c">#19 </span> |
| 2348 | <span class="s">'P 21 21 21'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,],</span> |
| 2349 | <span class="c">#20 </span> |
| 2350 | <span class="s">'C 2 2 21'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(10g)'</span><span class="p">,</span><span class="s">'(01g)'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,],</span> |
| 2351 | <span class="s">'A 21 2 2'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a10)'</span><span class="p">,</span><span class="s">'(a01)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00s'</span><span class="p">,],</span> |
| 2352 | <span class="s">'B 2 21 2'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(1b0)'</span><span class="p">,</span><span class="s">'(0b1)'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00s'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,],</span> |
| 2353 | <span class="c">#21 </span> |
| 2354 | <span class="s">'C 2 2 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00s'</span><span class="p">,</span><span class="s">'(10g)'</span><span class="p">,</span><span class="s">'(10g)00s'</span><span class="p">,</span><span class="s">'(01g)'</span><span class="p">,</span><span class="s">'(01g)00s'</span><span class="p">,</span> |
| 2355 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2356 | <span class="s">'A 2 2 2'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(a10)'</span><span class="p">,</span><span class="s">'(a10)s00'</span><span class="p">,</span><span class="s">'(a01)'</span><span class="p">,</span><span class="s">'(a01)s00'</span><span class="p">,</span> |
| 2357 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00s'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,],</span> |
| 2358 | <span class="s">'B 2 2 2'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,</span><span class="s">'(1b0)'</span><span class="p">,</span><span class="s">'(1b0)0s0'</span><span class="p">,</span><span class="s">'(0b1)'</span><span class="p">,</span><span class="s">'(0b1)0s0'</span><span class="p">,</span> |
| 2359 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00s'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,],</span> |
| 2360 | <span class="c">#22 </span> |
| 2361 | <span class="s">'F 2 2 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00s'</span><span class="p">,</span><span class="s">'(10g)'</span><span class="p">,</span><span class="s">'(01g)'</span><span class="p">,</span> |
| 2362 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(a10)'</span><span class="p">,</span><span class="s">'(a01)'</span><span class="p">,</span> |
| 2363 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,</span><span class="s">'(1b0)'</span><span class="p">,</span><span class="s">'(0b1)'</span><span class="p">,],</span> |
| 2364 | <span class="c">#23 </span> |
| 2365 | <span class="s">'I 2 2 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00s'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,],</span> |
| 2366 | <span class="c">#24 </span> |
| 2367 | <span class="s">'I 21 21 21'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00s'</span><span class="p">,</span><span class="s">'(a00'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,],</span> |
| 2368 | <span class="c">#25 </span> |
| 2369 | <span class="s">'P m m 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span> |
| 2370 | <span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(01/2g)s0s'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(1/20g)0ss'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span> |
| 2371 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a01/2)0s0'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">,</span> |
| 2372 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(0b1/2)s00'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,],</span> |
| 2373 | <span class="s">'P 2 m m'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a00)s0s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span> |
| 2374 | <span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a01/2)ss0'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(a1/20)s0s'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">,</span> |
| 2375 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(0b1/2)00s'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,</span> |
| 2376 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(01/2g)0s0'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2377 | <span class="s">'P m 2 m'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(0b0)0ss'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span> |
| 2378 | <span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(0b1/2)ss0'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(1/2b0)0ss'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,</span> |
| 2379 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(01/2g)s00'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span> |
| 2380 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a01/2)0s0'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">,],</span> |
| 2381 | <span class="c">#26 </span> |
| 2382 | <span class="s">'P m c 21'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(01/2g)s0s'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span> |
| 2383 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2384 | <span class="s">'P 21 m a'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a01/2)ss0'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">,</span> |
| 2385 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,],</span> |
| 2386 | <span class="s">'P b 21 m'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(0b1/2)ss0'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,</span> |
| 2387 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,],</span> |
| 2388 | <span class="s">'P m 21 b'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a01/2)ss0'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">,</span> |
| 2389 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2390 | <span class="s">'P c m 21'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(1/20g)0ss'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span> |
| 2391 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0a0)s00'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,],</span> |
| 2392 | <span class="s">'P 21 a m'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(0b1/2)ss0'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,</span> |
| 2393 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,],</span> |
| 2394 | <span class="c">#27 </span> |
| 2395 | <span class="s">'P c c 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span> |
| 2396 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,],</span> |
| 2397 | <span class="s">'P 2 a a'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a00)s0s'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">,</span> |
| 2398 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,],</span> |
| 2399 | <span class="s">'P b 2 b'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0ss'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,</span> |
| 2400 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,],</span> |
| 2401 | <span class="c">#28 </span> |
| 2402 | <span class="s">'P m a 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(01/2g)s0s'</span><span class="p">,</span> |
| 2403 | <span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(0b1/2)s00'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">],</span> |
| 2404 | <span class="s">'P 2 m b'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s0s'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a01/2)s0s'</span><span class="p">,</span> |
| 2405 | <span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(1/20g)s00'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">],</span> |
| 2406 | <span class="s">'P c 2 m'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(0b0)0ss'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(1/2b0)s0s'</span><span class="p">,</span> |
| 2407 | <span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(a1/20)s00'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">],</span> |
| 2408 | <span class="s">'P m 2 a'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(0b0)0ss'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(0b1/2)s0s'</span><span class="p">,</span> |
| 2409 | <span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(01/2g)s00'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">],</span> |
| 2410 | <span class="s">'P b m 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(1/20g)s0s'</span><span class="p">,</span> |
| 2411 | <span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a01/2)s00'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">],</span> |
| 2412 | <span class="s">'P 2 c m'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s0s'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(a1/20)s0s'</span><span class="p">,</span> |
| 2413 | <span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(1/2b0)s00'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">],</span> |
| 2414 | <span class="c">#29 </span> |
| 2415 | <span class="s">'P c a 21'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span> |
| 2416 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,],</span> |
| 2417 | <span class="s">'P 21 a b'</span><span class="p">:[],</span> |
| 2418 | <span class="s">'P c 21 b'</span><span class="p">:[],</span> |
| 2419 | <span class="s">'P b 21 a'</span><span class="p">:[],</span> |
| 2420 | <span class="s">'P b c 21'</span><span class="p">:[],</span> |
| 2421 | <span class="s">'P 21 c a'</span><span class="p">:[],</span> |
| 2422 | <span class="c">#30 </span> |
| 2423 | <span class="s">'P c n 2'</span><span class="p">:[],</span> |
| 2424 | <span class="s">'P 2 a n'</span><span class="p">:[],</span> |
| 2425 | <span class="s">'P n 2 b'</span><span class="p">:[],</span> |
| 2426 | <span class="s">'P b 2 n'</span><span class="p">:[],</span> |
| 2427 | <span class="s">'P n c 2'</span><span class="p">:[],</span> |
| 2428 | <span class="s">'P 2 n a'</span><span class="p">:[],</span> |
| 2429 | <span class="c">#31 </span> |
| 2430 | <span class="s">'P m n 21'</span><span class="p">:[],</span> |
| 2431 | <span class="s">'P 21 m n'</span><span class="p">:[],</span> |
| 2432 | <span class="s">'P n 21 m'</span><span class="p">:[],</span> |
| 2433 | <span class="s">'P m 21 n'</span><span class="p">:[],</span> |
| 2434 | <span class="s">'P n m 21'</span><span class="p">:[],</span> |
| 2435 | <span class="s">'P 21 n m'</span><span class="p">:[],</span> |
| 2436 | <span class="c">#32 </span> |
| 2437 | <span class="s">'P b a 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(1/21/2g)qq0'</span><span class="p">,</span> |
| 2438 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2439 | <span class="s">'P 2 c b'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a00)s0s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(a1/21/2)0qq'</span><span class="p">,</span> |
| 2440 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,],</span> |
| 2441 | <span class="s">'P c 2 a'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(0b0)0ss'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span><span class="s">'(1/2b1/2)q0q'</span><span class="p">,</span> |
| 2442 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'01/2g)'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,],</span> |
| 2443 | <span class="c">#33 </span> |
| 2444 | <span class="s">'P n a 21'</span><span class="p">:[],</span> |
| 2445 | <span class="s">'P 21 n b'</span><span class="p">:[],</span> |
| 2446 | <span class="s">'P c 21 n'</span><span class="p">:[],</span> |
| 2447 | <span class="s">'P n 21 a'</span><span class="p">:[],</span> |
| 2448 | <span class="s">'P b n 21'</span><span class="p">:[],</span> |
| 2449 | <span class="s">'P 21 c n'</span><span class="p">:[],</span> |
| 2450 | <span class="c">#34 </span> |
| 2451 | <span class="s">'P n n 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(1/21/2g)qq0'</span><span class="p">,</span> |
| 2452 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a1/21/2)0q0'</span><span class="p">,</span><span class="s">'(a1/21/2)00q'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(1/2b1/2)q00'</span><span class="p">,</span><span class="s">'(1/2b1/2)00q'</span><span class="p">,],</span> |
| 2453 | <span class="s">'P 2 n n'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a00)s0s'</span><span class="p">,</span><span class="s">'(a1/21/2)0qq'</span><span class="p">,</span> |
| 2454 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(1/2b1/2)q00'</span><span class="p">,</span><span class="s">'(1/2b1/2)00q'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/21/2b)0q0'</span><span class="p">,</span><span class="s">'(1/21/2g)q00'</span><span class="p">,],</span> |
| 2455 | <span class="s">'P n 2 n'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(0b0)0ss'</span><span class="p">,</span><span class="s">'(1/2b1/2)q0q'</span><span class="p">,</span> |
| 2456 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/21/2g)0q0'</span><span class="p">,</span><span class="s">'(1/21/2g)q00'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a1/21/2)00q'</span><span class="p">,</span><span class="s">'(b1/21/2)0q0'</span><span class="p">,],</span> |
| 2457 | <span class="c">#35 </span> |
| 2458 | <span class="s">'C m m 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(10g)'</span><span class="p">,</span><span class="s">'(10g)s0s'</span><span class="p">,</span><span class="s">'(10g)0ss'</span><span class="p">,</span><span class="s">'(10g)ss0'</span><span class="p">,</span> |
| 2459 | <span class="s">'(01g)'</span><span class="p">,</span><span class="s">'(01g)s0s'</span><span class="p">,</span><span class="s">'(01g)0ss'</span><span class="p">,</span><span class="s">'(01g)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a01/2)0s0'</span><span class="p">,</span> |
| 2460 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(0b1/2)s00'</span><span class="p">,],</span> |
| 2461 | <span class="s">'A 2 m m'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s0s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a10)'</span><span class="p">,</span><span class="s">'(a10)s0s'</span><span class="p">,</span><span class="s">'(a10)0ss'</span><span class="p">,</span><span class="s">'(a10)ss0'</span><span class="p">,</span> |
| 2462 | <span class="s">'(a01)'</span><span class="p">,</span><span class="s">'(a01)s0s'</span><span class="p">,</span><span class="s">'(a01)0ss'</span><span class="p">,</span><span class="s">'(a01)ss0'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(1/2b0)00s'</span><span class="p">,</span> |
| 2463 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(01/2g)0s0'</span><span class="p">,],</span> |
| 2464 | <span class="s">'B m 2 m'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span><span class="s">'(0b0)0ss'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(1b0)'</span><span class="p">,</span><span class="s">'(1b0)s0s'</span><span class="p">,</span><span class="s">'(1b0)0ss'</span><span class="p">,</span><span class="s">'(1b0)ss0'</span><span class="p">,</span> |
| 2465 | <span class="s">'(0b1)'</span><span class="p">,</span><span class="s">'(0b1)s0s'</span><span class="p">,</span><span class="s">'(0b1)0ss'</span><span class="p">,</span><span class="s">'(0b1)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a01/2)00s'</span><span class="p">,</span> |
| 2466 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(1/20g)s00'</span><span class="p">,],</span> |
| 2467 | <span class="c">#36</span> |
| 2468 | <span class="s">'C m c 21'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(10g)'</span><span class="p">,</span><span class="s">'(10g)s0s'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,],</span> |
| 2469 | <span class="s">'A 21 m a'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a10)'</span><span class="p">,</span><span class="s">'(a10)ss0'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,],</span> |
| 2470 | <span class="s">'B m 21 b'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(1b0)'</span><span class="p">,</span><span class="s">'(1b0)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,],</span> |
| 2471 | <span class="s">'B b 21 m'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0ss'</span><span class="p">,</span><span class="s">'(0b1)'</span><span class="p">,</span><span class="s">'(0b1)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,],</span> |
| 2472 | <span class="s">'C c m 21'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(01g)'</span><span class="p">,</span><span class="s">'(01g)0ss'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,],</span> |
| 2473 | <span class="s">'A 21 a m'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s0s'</span><span class="p">,</span><span class="s">'(a01)'</span><span class="p">,</span><span class="s">'(a01)s0s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,],</span> |
| 2474 | <span class="c">#37</span> |
| 2475 | <span class="s">'C c c 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(10g)'</span><span class="p">,</span><span class="s">'(10g)s0s'</span><span class="p">,</span><span class="s">'(10g)0ss'</span><span class="p">,</span><span class="s">'(01g)'</span><span class="p">,</span><span class="s">'(01g)s0s'</span><span class="p">,</span><span class="s">'(01g)0ss'</span><span class="p">,</span> |
| 2476 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,],</span> |
| 2477 | <span class="s">'A 2 a a'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a00)s0s'</span><span class="p">,</span><span class="s">'(a10)'</span><span class="p">,</span><span class="s">'(a10)ss0'</span><span class="p">,</span><span class="s">'(a10)ss0'</span><span class="p">,</span><span class="s">'(a01)'</span><span class="p">,</span><span class="s">'(a01)ss0'</span><span class="p">,</span><span class="s">'(a01)ss0'</span><span class="p">,</span> |
| 2478 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,],</span> |
| 2479 | <span class="s">'B b 2 b'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0ss'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(0b1)'</span><span class="p">,</span><span class="s">'(0b1)0ss'</span><span class="p">,</span><span class="s">'(0b1)ss0'</span><span class="p">,</span><span class="s">'(1b0)'</span><span class="p">,</span><span class="s">'(1b0)0ss'</span><span class="p">,</span><span class="s">'(1b0)ss0'</span><span class="p">,</span> |
| 2480 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,],</span> |
| 2481 | <span class="c">#38</span> |
| 2482 | <span class="s">'A m m 2'</span><span class="p">:[],</span> |
| 2483 | <span class="s">'B 2 m m'</span><span class="p">:[],</span> |
| 2484 | <span class="s">'C m 2 m'</span><span class="p">:[],</span> |
| 2485 | <span class="s">'A m 2 m'</span><span class="p">:[],</span> |
| 2486 | <span class="s">'B m m 2'</span><span class="p">:[],</span> |
| 2487 | <span class="s">'C 2 m m'</span><span class="p">:[],</span> |
| 2488 | <span class="c">#39</span> |
| 2489 | <span class="s">'A b m 2'</span><span class="p">:[],</span> |
| 2490 | <span class="s">'B 2 c m'</span><span class="p">:[],</span> |
| 2491 | <span class="s">'C m 2 a'</span><span class="p">:[],</span> |
| 2492 | <span class="s">'A c 2 m'</span><span class="p">:[],</span> |
| 2493 | <span class="s">'B m a 2'</span><span class="p">:[],</span> |
| 2494 | <span class="s">'C 2 m b'</span><span class="p">:[],</span> |
| 2495 | <span class="c">#40 </span> |
| 2496 | <span class="s">'A m a 2'</span><span class="p">:[],</span> |
| 2497 | <span class="s">'B 2 m b'</span><span class="p">:[],</span> |
| 2498 | <span class="s">'C c 2 m'</span><span class="p">:[],</span> |
| 2499 | <span class="s">'A m 2 a'</span><span class="p">:[],</span> |
| 2500 | <span class="s">'B b m 2'</span><span class="p">:[],</span> |
| 2501 | <span class="s">'C 2 c m'</span><span class="p">:[],</span> |
| 2502 | <span class="c">#41</span> |
| 2503 | <span class="s">'A b a 2'</span><span class="p">:[],</span> |
| 2504 | <span class="s">'B 2 c b'</span><span class="p">:[],</span> |
| 2505 | <span class="s">'C c 2 a'</span><span class="p">:[],</span> |
| 2506 | <span class="s">'A c 2 a'</span><span class="p">:[],</span> |
| 2507 | <span class="s">'B b a 2'</span><span class="p">:[],</span> |
| 2508 | <span class="s">'C 2 c b'</span><span class="p">:[],</span> |
| 2509 | |
| 2510 | <span class="c">#42 </span> |
| 2511 | <span class="s">'F m m 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(10g)'</span><span class="p">,</span><span class="s">'(10g)ss0'</span><span class="p">,</span><span class="s">'(10g)s0s'</span><span class="p">,</span> |
| 2512 | <span class="s">'(01g)'</span><span class="p">,</span><span class="s">'(01g)ss0'</span><span class="p">,</span><span class="s">'(01g)0ss'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a01)'</span><span class="p">,</span><span class="s">'(a01)0s0'</span><span class="p">,</span> |
| 2513 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b1)'</span><span class="p">,</span><span class="s">'(0b1)s00'</span><span class="p">,],</span> |
| 2514 | <span class="s">'F 2 m m'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a00)s0s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(a10)'</span><span class="p">,</span><span class="s">'(a10)0ss'</span><span class="p">,</span><span class="s">'(a10)ss0'</span><span class="p">,</span> |
| 2515 | <span class="s">'(a01)'</span><span class="p">,</span><span class="s">'(a01)0ss'</span><span class="p">,</span><span class="s">'(a01)s0s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(1b0)'</span><span class="p">,</span><span class="s">'(1b0)00s'</span><span class="p">,</span> |
| 2516 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(10g)'</span><span class="p">,</span><span class="s">'(10g)0s0'</span><span class="p">,],</span> |
| 2517 | <span class="s">'F m 2 m'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0ss'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span><span class="s">'(0b1)'</span><span class="p">,</span><span class="s">'(0b1)s0s'</span><span class="p">,</span><span class="s">'(0b1)0ss'</span><span class="p">,</span> |
| 2518 | <span class="s">'(1b0)'</span><span class="p">,</span><span class="s">'(1b0)s0s'</span><span class="p">,</span><span class="s">'(1b0)ss0'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(01g)'</span><span class="p">,</span><span class="s">'(01g)s00'</span><span class="p">,</span> |
| 2519 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a10)'</span><span class="p">,</span><span class="s">'(a10)00s'</span><span class="p">,],</span> |
| 2520 | <span class="c">#43 </span> |
| 2521 | <span class="s">'F d d 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,],</span> |
| 2522 | <span class="s">'F 2 d d'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s0s'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,],</span> |
| 2523 | <span class="s">'F d 2 d'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)0ss'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2524 | <span class="c">#44</span> |
| 2525 | <span class="s">'I m m 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,],</span> |
| 2526 | <span class="s">'I 2 m m'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,],</span> |
| 2527 | <span class="s">'I m 2 m'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span><span class="s">'(0b0)0ss'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,],</span> |
| 2528 | <span class="c">#45 </span> |
| 2529 | <span class="s">'I b a 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,],</span> |
| 2530 | <span class="s">'I 2 c b'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span><span class="s">'(0b0)0ss'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,],</span> |
| 2531 | <span class="s">'I c 2 a'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,],</span> |
| 2532 | <span class="c">#46 </span> |
| 2533 | <span class="s">'I m a 2'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,],</span> |
| 2534 | <span class="s">'I 2 m b'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span><span class="s">'(0b0)0ss'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,],</span> |
| 2535 | <span class="s">'I c 2 m'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,],</span> |
| 2536 | <span class="s">'I m 2 a'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,],</span> |
| 2537 | <span class="s">'I b m 2'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,],</span> |
| 2538 | <span class="s">'I 2 c m'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span><span class="s">'(0b0)0ss'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,],</span> |
| 2539 | <span class="c">#47 </span> |
| 2540 | <span class="s">'P m m m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(01/2g)s00'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(1/20g)s00'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span> |
| 2541 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a01/2)0s0'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(a1/20)00s'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">,</span> |
| 2542 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(1/2b0)00s'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(0b1/2)s00'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,],</span> |
| 2543 | <span class="c">#48 o@i qq0,0qq,q0q ->000</span> |
| 2544 | <span class="s">'P n n n'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span> |
| 2545 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">,</span> |
| 2546 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,],</span> |
| 2547 | <span class="c">#49 </span> |
| 2548 | <span class="s">'P c c m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span> |
| 2549 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(a1/20)00s'</span><span class="p">,</span> |
| 2550 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(1/2b0)00s'</span><span class="p">,],</span> |
| 2551 | <span class="s">'P m a a'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">,</span> |
| 2552 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(0b1/2)s00'</span><span class="p">,</span> |
| 2553 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(01/2g)s00'</span><span class="p">,],</span> |
| 2554 | <span class="s">'P b m b'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,</span> |
| 2555 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(1/20g)0s0'</span><span class="p">,</span> |
| 2556 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a01/2)0s0'</span><span class="p">,],</span> |
| 2557 | <span class="c">#50 o@i qq0,0qq,q0q ->000</span> |
| 2558 | <span class="s">'P b a n'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span> |
| 2559 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,],</span> |
| 2560 | <span class="s">'P n c b'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">,</span> |
| 2561 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">,],</span> |
| 2562 | <span class="s">'P c n a'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,</span> |
| 2563 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(01/2a)'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,],</span> |
| 2564 | <span class="c">#51 </span> |
| 2565 | <span class="s">'P m m a'</span><span class="p">:[],</span> |
| 2566 | <span class="s">'P b m m'</span><span class="p">:[],</span> |
| 2567 | <span class="s">'P m c m'</span><span class="p">:[],</span> |
| 2568 | <span class="s">'P m a m'</span><span class="p">:[],</span> |
| 2569 | <span class="s">'P m m b'</span><span class="p">:[],</span> |
| 2570 | <span class="s">'P c m m'</span><span class="p">:[],</span> |
| 2571 | <span class="c">#52 o@i qq0,0qq,q0q ->000 </span> |
| 2572 | <span class="s">'P n n a'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span> |
| 2573 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,],</span> |
| 2574 | <span class="s">'P b n n'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span> |
| 2575 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2576 | <span class="s">'P n c n'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span> |
| 2577 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">,],</span> |
| 2578 | <span class="s">'P n a n'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span> |
| 2579 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">,],</span> |
| 2580 | <span class="s">'P n n b'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span> |
| 2581 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(a1/21/2)'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,],</span> |
| 2582 | <span class="s">'P c n n'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span> |
| 2583 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(1/2b1/2)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2584 | <span class="c">#53 </span> |
| 2585 | <span class="s">'P m n a'</span><span class="p">:[],</span> |
| 2586 | <span class="s">'P b m n'</span><span class="p">:[],</span> |
| 2587 | <span class="s">'P n c m'</span><span class="p">:[],</span> |
| 2588 | <span class="s">'P m a n'</span><span class="p">:[],</span> |
| 2589 | <span class="s">'P n m b'</span><span class="p">:[],</span> |
| 2590 | <span class="s">'P c n m'</span><span class="p">:[],</span> |
| 2591 | <span class="c">#54 </span> |
| 2592 | <span class="s">'P c c a'</span><span class="p">:[],</span> |
| 2593 | <span class="s">'P b a a'</span><span class="p">:[],</span> |
| 2594 | <span class="s">'P b c b'</span><span class="p">:[],</span> |
| 2595 | <span class="s">'P b a b'</span><span class="p">:[],</span> |
| 2596 | <span class="s">'P c c b'</span><span class="p">:[],</span> |
| 2597 | <span class="s">'P c a a'</span><span class="p">:[],</span> |
| 2598 | <span class="c">#55 </span> |
| 2599 | <span class="s">'P b a m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span> |
| 2600 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">],</span> |
| 2601 | <span class="s">'P m c b'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span> |
| 2602 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(1/20g)'</span><span class="p">],</span> |
| 2603 | <span class="s">'P c m a'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span> |
| 2604 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(01/2g)'</span><span class="p">],</span> |
| 2605 | <span class="c">#56 </span> |
| 2606 | <span class="s">'P c c n'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2607 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">],</span> |
| 2608 | <span class="s">'P n a a'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span> |
| 2609 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">],</span> |
| 2610 | <span class="s">'P b n b'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span> |
| 2611 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">],</span> |
| 2612 | <span class="c">#57 </span> |
| 2613 | <span class="s">'P b c m'</span><span class="p">:[],</span> |
| 2614 | <span class="s">'P m c a'</span><span class="p">:[],</span> |
| 2615 | <span class="s">'P b m a'</span><span class="p">:[],</span> |
| 2616 | <span class="s">'P c m b'</span><span class="p">:[],</span> |
| 2617 | <span class="s">'P c a m'</span><span class="p">:[],</span> |
| 2618 | <span class="s">'P m a b'</span><span class="p">:[],</span> |
| 2619 | <span class="c">#58 </span> |
| 2620 | <span class="s">'P n n m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span> |
| 2621 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">],</span> |
| 2622 | <span class="s">'P m n n'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2623 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">],</span> |
| 2624 | <span class="s">'P n m n'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2625 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,],</span> |
| 2626 | <span class="c">#59 o@i</span> |
| 2627 | <span class="s">'P m m n'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2628 | <span class="s">'(a01/2)'</span><span class="p">,</span><span class="s">'(a01/2)0s0'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b1/2)'</span><span class="p">,</span><span class="s">'(0b1/2)s00'</span><span class="p">,],</span> |
| 2629 | <span class="s">'P n m m'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span> |
| 2630 | <span class="s">'(1/20g)'</span><span class="p">,</span><span class="s">'(1/20g)0s0'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(1/2b0)'</span><span class="p">,</span><span class="s">'(1/2b0)00s'</span><span class="p">],</span> |
| 2631 | <span class="s">'P m n m'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span> |
| 2632 | <span class="s">'(01/2g)'</span><span class="p">,</span><span class="s">'(01/2g)s00'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a1/20)'</span><span class="p">,</span><span class="s">'(a1/20)00s'</span><span class="p">],</span> |
| 2633 | <span class="c">#60 </span> |
| 2634 | <span class="s">'P b c n'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2635 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">],</span> |
| 2636 | <span class="s">'P n c a'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2637 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">],</span> |
| 2638 | <span class="s">'P b n a'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2639 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">],</span> |
| 2640 | <span class="s">'P c n b'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2641 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">],</span> |
| 2642 | <span class="s">'P c a n'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2643 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">],</span> |
| 2644 | <span class="s">'P n a b'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2645 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">],</span> |
| 2646 | <span class="c">#61 </span> |
| 2647 | <span class="s">'P b c a'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span> |
| 2648 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">],</span> |
| 2649 | <span class="s">'P c a b'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span> |
| 2650 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">],</span> |
| 2651 | <span class="c">#62 </span> |
| 2652 | <span class="s">'P n m a'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">],</span> |
| 2653 | <span class="s">'P b n m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">],</span> |
| 2654 | <span class="s">'P m c n'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">],</span> |
| 2655 | <span class="s">'P n a m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">],</span> |
| 2656 | <span class="s">'P m n b'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">],</span> |
| 2657 | <span class="s">'P c m n'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">],</span> |
| 2658 | <span class="c">#63</span> |
| 2659 | <span class="s">'C m c m'</span><span class="p">:[],</span> |
| 2660 | <span class="s">'A m m a'</span><span class="p">:[],</span> |
| 2661 | <span class="s">'B b m m'</span><span class="p">:[],</span> |
| 2662 | <span class="s">'B m m b'</span><span class="p">:[],</span> |
| 2663 | <span class="s">'C c m m'</span><span class="p">:[],</span> |
| 2664 | <span class="s">'A m a m'</span><span class="p">:[],</span> |
| 2665 | <span class="c">#64 </span> |
| 2666 | <span class="s">'C m c a'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(10g)'</span><span class="p">,</span><span class="s">'(10g)s00'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,],</span> |
| 2667 | <span class="s">'A b m a'</span><span class="p">:[],</span> |
| 2668 | <span class="s">'B b c m'</span><span class="p">:[],</span> |
| 2669 | <span class="s">'B m a b'</span><span class="p">:[],</span> |
| 2670 | <span class="s">'C c m b'</span><span class="p">:[],</span> |
| 2671 | <span class="s">'A c a m'</span><span class="p">:[],</span> |
| 2672 | <span class="c">#65 </span> |
| 2673 | <span class="s">'C m m m'</span><span class="p">:[],</span> |
| 2674 | <span class="s">'A m m m'</span><span class="p">:[],</span> |
| 2675 | <span class="s">'B m m m'</span><span class="p">:[],</span> |
| 2676 | <span class="c">#66 </span> |
| 2677 | <span class="s">'C c c m'</span><span class="p">:[],</span> |
| 2678 | <span class="s">'A m m a'</span><span class="p">:[],</span> |
| 2679 | <span class="s">'B b m b'</span><span class="p">:[],</span> |
| 2680 | <span class="c">#67 </span> |
| 2681 | <span class="s">'C m m a'</span><span class="p">:[],</span> |
| 2682 | <span class="s">'A b m m'</span><span class="p">:[],</span> |
| 2683 | <span class="s">'B m c m'</span><span class="p">:[],</span> |
| 2684 | <span class="s">'B m a m'</span><span class="p">:[],</span> |
| 2685 | <span class="s">'C m m b'</span><span class="p">:[],</span> |
| 2686 | <span class="s">'A c m m'</span><span class="p">:[],</span> |
| 2687 | <span class="c">#68 o@i</span> |
| 2688 | <span class="s">'C c c a'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(10g)'</span><span class="p">,</span><span class="s">'(01g)'</span><span class="p">,</span><span class="s">'(10g)s00'</span><span class="p">,</span><span class="s">'(01g)s00'</span><span class="p">,</span> |
| 2689 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">],</span> |
| 2690 | <span class="s">'A b a a'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(a10)'</span><span class="p">,</span><span class="s">'(a01)'</span><span class="p">,</span><span class="s">'(a10)s00'</span><span class="p">,</span><span class="s">'(a01)s00'</span><span class="p">,</span> |
| 2691 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">],</span> |
| 2692 | <span class="s">'B b c b'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b1)'</span><span class="p">,</span><span class="s">'(1b0)'</span><span class="p">,</span><span class="s">'(0b1)s00'</span><span class="p">,</span><span class="s">'(1b0)s00'</span><span class="p">,</span> |
| 2693 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">],</span> |
| 2694 | <span class="s">'B b a b'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(1b0)'</span><span class="p">,</span><span class="s">'(0b1)'</span><span class="p">,</span><span class="s">'(1b0)s00'</span><span class="p">,</span><span class="s">'(0b1)s00'</span><span class="p">,</span> |
| 2695 | <span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">],</span> |
| 2696 | <span class="s">'C c c b'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(01g)'</span><span class="p">,</span><span class="s">'(10g)'</span><span class="p">,</span><span class="s">'(01g)s00'</span><span class="p">,</span><span class="s">'(10g)s00'</span><span class="p">,</span> |
| 2697 | <span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">],</span> |
| 2698 | <span class="s">'A c a a'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(a01)'</span><span class="p">,</span><span class="s">'(a10)'</span><span class="p">,</span><span class="s">'(a01)s00'</span><span class="p">,</span><span class="s">'(a10)s00'</span><span class="p">,</span> |
| 2699 | <span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span><span class="s">'(0b0)0s0'</span><span class="p">],</span> |
| 2700 | <span class="c">#69 </span> |
| 2701 | <span class="s">'F m m m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span> |
| 2702 | <span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">,</span> |
| 2703 | <span class="s">'(10g)'</span><span class="p">,</span><span class="s">'(10g)s00'</span><span class="p">,</span><span class="s">'(10g)ss0'</span><span class="p">,</span><span class="s">'(a10)'</span><span class="p">,</span><span class="s">'(a10)0s0'</span><span class="p">,</span> |
| 2704 | <span class="s">'(a10)00s'</span><span class="p">,</span><span class="s">'(a10)0ss'</span><span class="p">,</span><span class="s">'(0b1)'</span><span class="p">,</span><span class="s">'(0b1)s00'</span><span class="p">,</span><span class="s">'(0b1)00s'</span><span class="p">,</span><span class="s">'(0b1)s0s'</span><span class="p">,</span> |
| 2705 | <span class="s">'(01g)'</span><span class="p">,</span><span class="s">'(01g)s00'</span><span class="p">,</span><span class="s">'(01g)ss0'</span><span class="p">,</span><span class="s">'(a01)'</span><span class="p">,</span><span class="s">'(a01)0s0'</span><span class="p">,</span> |
| 2706 | <span class="s">'(a01)00s'</span><span class="p">,</span><span class="s">'(a01)0ss'</span><span class="p">,</span><span class="s">'(1b0)'</span><span class="p">,</span><span class="s">'(1b0)s00'</span><span class="p">,</span><span class="s">'(1b0)00s'</span><span class="p">,</span><span class="s">'(1b0)s0s'</span><span class="p">],</span> |
| 2707 | <span class="c">#70 o@i </span> |
| 2708 | <span class="s">'F d d d'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)s00'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">],</span> |
| 2709 | <span class="c">#71</span> |
| 2710 | <span class="s">'I m m m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2711 | <span class="s">'(a00)ss0'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)ss0'</span><span class="p">],</span> |
| 2712 | <span class="c">#72 </span> |
| 2713 | <span class="s">'I b a m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2714 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">],</span> |
| 2715 | <span class="s">'I m c b'</span><span class="p">:[</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span> |
| 2716 | <span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">],</span> |
| 2717 | <span class="s">'I c m a'</span><span class="p">:[</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">,</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span> |
| 2718 | <span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">],</span> |
| 2719 | <span class="c">#73 </span> |
| 2720 | <span class="s">'I b c a'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2721 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">],</span> |
| 2722 | <span class="s">'I c a b'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2723 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">],</span> |
| 2724 | <span class="c">#74 </span> |
| 2725 | <span class="s">'I m m a'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2726 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">],</span> |
| 2727 | <span class="s">'I b m m '</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2728 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">],</span> |
| 2729 | <span class="s">'I m c m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2730 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">],</span> |
| 2731 | <span class="s">'I m a m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2732 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">],</span> |
| 2733 | <span class="s">'I m m b'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2734 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">],</span> |
| 2735 | <span class="s">'I c m m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(a00)'</span><span class="p">,</span><span class="s">'(a00)0s0'</span><span class="p">,</span> |
| 2736 | <span class="s">'(a00)00s'</span><span class="p">,</span><span class="s">'(a00)0ss'</span><span class="p">,</span><span class="s">'(0b0)'</span><span class="p">,</span><span class="s">'(0b0)s00'</span><span class="p">,</span><span class="s">'(0b0)00s'</span><span class="p">,</span><span class="s">'(0b0)s0s'</span><span class="p">],</span> |
| 2737 | <span class="c">#tetragonal - done</span> |
| 2738 | <span class="c">#75</span> |
| 2739 | <span class="s">'P 4'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)q'</span><span class="p">,</span><span class="s">'(00g)s'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span><span class="s">'(1/21/2g)q'</span><span class="p">,],</span> |
| 2740 | <span class="c">#76</span> |
| 2741 | <span class="s">'P 41'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2742 | <span class="c">#77</span> |
| 2743 | <span class="s">'P 42'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)q'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span><span class="s">'(1/21/2g)q'</span><span class="p">,],</span> |
| 2744 | <span class="c">#78</span> |
| 2745 | <span class="s">'P 43'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2746 | <span class="c">#79</span> |
| 2747 | <span class="s">'I 4'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)q'</span><span class="p">,</span><span class="s">'(00g)s'</span><span class="p">,],</span> |
| 2748 | <span class="c">#80</span> |
| 2749 | <span class="s">'I 41'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)q'</span><span class="p">,],</span> |
| 2750 | <span class="c">#81</span> |
| 2751 | <span class="s">'P -4'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2752 | <span class="c">#82</span> |
| 2753 | <span class="s">'I -4'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2754 | <span class="c">#83</span> |
| 2755 | <span class="s">'P 4/m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2756 | <span class="c">#84</span> |
| 2757 | <span class="s">'P 42/m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2758 | <span class="c">#85 o@i q0 -> 00</span> |
| 2759 | <span class="s">'P 4/n'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> <span class="c">#q0?</span> |
| 2760 | <span class="c">#86 o@i q0 -> 00</span> |
| 2761 | <span class="s">'P 42/n'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> <span class="c">#q0?</span> |
| 2762 | <span class="c">#87</span> |
| 2763 | <span class="s">'I 4/m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0'</span><span class="p">,],</span> |
| 2764 | <span class="c">#88</span> |
| 2765 | <span class="s">'I 41/a'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2766 | <span class="c">#89</span> |
| 2767 | <span class="s">'P 4 2 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)q00'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span><span class="s">'(1/21/2g)q00'</span><span class="p">,],</span> |
| 2768 | <span class="c">#90</span> |
| 2769 | <span class="s">'P 4 21 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)q00'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,],</span> |
| 2770 | <span class="c">#91</span> |
| 2771 | <span class="s">'P 41 2 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2772 | <span class="c">#92</span> |
| 2773 | <span class="s">'P 41 21 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2774 | <span class="c">#93</span> |
| 2775 | <span class="s">'P 42 2 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)q00'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span><span class="s">'(1/21/2g)q00'</span><span class="p">,],</span> |
| 2776 | <span class="c">#94</span> |
| 2777 | <span class="s">'P 42 21 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)q00'</span><span class="p">,],</span> |
| 2778 | <span class="c">#95</span> |
| 2779 | <span class="s">'P 43 2 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2780 | <span class="c">#96</span> |
| 2781 | <span class="s">'P 43 21 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2782 | <span class="c">#97</span> |
| 2783 | <span class="s">'I 4 2 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)q00'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,],</span> |
| 2784 | <span class="c">#98</span> |
| 2785 | <span class="s">'I 41 2 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)q00'</span><span class="p">,],</span> |
| 2786 | <span class="c">#99</span> |
| 2787 | <span class="s">'P 4 m m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span><span class="s">'(1/21/2g)0ss'</span><span class="p">],</span> |
| 2788 | <span class="c">#100</span> |
| 2789 | <span class="s">'P 4 b m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,</span><span class="s">'(1/21/2g)qq0'</span><span class="p">,</span><span class="s">'(1/21/2g)qqs'</span><span class="p">,],</span> |
| 2790 | <span class="c">#101</span> |
| 2791 | <span class="s">'P 42 c m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span><span class="s">'(1/21/2g)0ss'</span><span class="p">,],</span> |
| 2792 | <span class="c">#102</span> |
| 2793 | <span class="s">'P 42 n m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(1/21/2g)qq0'</span><span class="p">,</span><span class="s">'(1/21/2g)qqs'</span><span class="p">,],</span> |
| 2794 | <span class="c">#103</span> |
| 2795 | <span class="s">'P 4 c c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2796 | <span class="c">#104</span> |
| 2797 | <span class="s">'P 4 n c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(1/21/2g)qq0'</span><span class="p">,],</span> |
| 2798 | <span class="c">#105</span> |
| 2799 | <span class="s">'P 42 m c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2800 | <span class="c">#106</span> |
| 2801 | <span class="s">'P 42 b c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(1/21/2g)qq0'</span><span class="p">,],</span> |
| 2802 | <span class="c">#107</span> |
| 2803 | <span class="s">'I 4 m m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,],</span> |
| 2804 | <span class="c">#108</span> |
| 2805 | <span class="s">'I 4 c m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,],</span> |
| 2806 | <span class="c">#109</span> |
| 2807 | <span class="s">'I 41 m d'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,],</span> |
| 2808 | <span class="c">#110</span> |
| 2809 | <span class="s">'I 41 c d'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,],</span> |
| 2810 | <span class="c">#111</span> |
| 2811 | <span class="s">'P -4 2 m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span><span class="s">'(1/21/2g)0ss'</span><span class="p">,],</span> |
| 2812 | <span class="c">#112</span> |
| 2813 | <span class="s">'P -4 2 c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2814 | <span class="c">#113</span> |
| 2815 | <span class="s">'P -4 21 m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,],</span> |
| 2816 | <span class="c">#114</span> |
| 2817 | <span class="s">'P -4 21 c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2818 | <span class="c">#115 00s -> 0ss</span> |
| 2819 | <span class="s">'P -4 m 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2820 | <span class="c">#116</span> |
| 2821 | <span class="s">'P -4 c 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2822 | <span class="c">#117 00s -> 0ss</span> |
| 2823 | <span class="s">'P -4 b 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,</span><span class="s">'(1/21/2g)0q0'</span><span class="p">,],</span> |
| 2824 | <span class="c">#118</span> |
| 2825 | <span class="s">'P -4 n 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/21/2g)0q0'</span><span class="p">,],</span> |
| 2826 | <span class="c">#119</span> |
| 2827 | <span class="s">'I -4 m 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,],</span> |
| 2828 | <span class="c">#120</span> |
| 2829 | <span class="s">'I -4 c 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,],</span> |
| 2830 | <span class="c">#121 00s -> 0ss</span> |
| 2831 | <span class="s">'I -4 2 m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,],</span> |
| 2832 | <span class="c">#122</span> |
| 2833 | <span class="s">'I -4 2 d'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2834 | <span class="c">#123</span> |
| 2835 | <span class="s">'P 4/m m m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,</span><span class="s">'(00g)00ss'</span><span class="p">,</span><span class="s">'(00g)s00s'</span><span class="p">,</span> |
| 2836 | <span class="s">'(1/21/2g)'</span><span class="p">,</span><span class="s">'(1/21/2g)s0s0'</span><span class="p">,</span><span class="s">'(1/21/2g)00ss'</span><span class="p">,</span><span class="s">'(1/21/2g)s00s'</span><span class="p">,],</span> |
| 2837 | <span class="c">#124</span> |
| 2838 | <span class="s">'P 4/m c c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2839 | <span class="c">#125 o@i q0q0 -> 0000, q0qs -> 00ss</span> |
| 2840 | <span class="s">'P 4/n b m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,</span><span class="s">'(00g)00ss'</span><span class="p">,</span><span class="s">'(00g)s00s'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span><span class="s">'(1/21/2g)00ss'</span><span class="p">,],</span> |
| 2841 | <span class="c">#126 o@i q0q0 -> 0000</span> |
| 2842 | <span class="s">'P 4/n n c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2843 | <span class="c">#127</span> |
| 2844 | <span class="s">'P 4/m b m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,</span><span class="s">'(00g)00ss'</span><span class="p">,</span><span class="s">'(00g)s00s'</span><span class="p">,],</span> |
| 2845 | <span class="c">#128</span> |
| 2846 | <span class="s">'P 4/m n c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,],</span> |
| 2847 | <span class="c">#129</span> |
| 2848 | <span class="s">'P 4/n m m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,</span><span class="s">'(00g)00ss'</span><span class="p">,</span><span class="s">'(00g)s00s'</span><span class="p">,],</span> |
| 2849 | <span class="c">#130</span> |
| 2850 | <span class="s">'P 4/n c c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,],</span> |
| 2851 | <span class="c">#131</span> |
| 2852 | <span class="s">'P 42/m m c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2853 | <span class="c">#132</span> |
| 2854 | <span class="s">'P 42/m c m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00ss'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span><span class="s">'(1/21/2g)00ss'</span><span class="p">,],</span> |
| 2855 | <span class="c">#133 o@i q0q0 -> 0000</span> |
| 2856 | <span class="s">'P 42/n b c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,],</span> |
| 2857 | <span class="c">#134 o@i q0q0 -> 0000, q0qs -> 00ss</span> |
| 2858 | <span class="s">'P 42/n n m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00ss'</span><span class="p">,</span><span class="s">'(1/21/2g)'</span><span class="p">,</span><span class="s">'(1/21/2g)00ss'</span><span class="p">,],</span> |
| 2859 | <span class="c">#135</span> |
| 2860 | <span class="s">'P 42/m b c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,],</span> |
| 2861 | <span class="c">#136</span> |
| 2862 | <span class="s">'P 42/m n m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00ss'</span><span class="p">,],</span> |
| 2863 | <span class="c">#137</span> |
| 2864 | <span class="s">'P 42/n m c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,],</span> |
| 2865 | <span class="c">#138</span> |
| 2866 | <span class="s">'P 42/n c m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00ss'</span><span class="p">,],</span> |
| 2867 | <span class="c">#139</span> |
| 2868 | <span class="s">'I 4/m m m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,</span><span class="s">'(00g)00ss'</span><span class="p">,</span><span class="s">'(00g)s00s'</span><span class="p">,],</span> |
| 2869 | <span class="c">#140</span> |
| 2870 | <span class="s">'I 4/m c m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,</span><span class="s">'(00g)00ss'</span><span class="p">,</span><span class="s">'(00g)s00s'</span><span class="p">,],</span> |
| 2871 | <span class="c">#141</span> |
| 2872 | <span class="s">'I 41/a m d'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,],</span> |
| 2873 | <span class="c">#142</span> |
| 2874 | <span class="s">'I 41/a c d'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,],</span> |
| 2875 | <span class="c">#trigonal/rhombahedral - done & checked</span> |
| 2876 | <span class="c">#143</span> |
| 2877 | <span class="s">'P 3'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)t'</span><span class="p">,</span><span class="s">'(1/31/3g)'</span><span class="p">,],</span> |
| 2878 | <span class="c">#144</span> |
| 2879 | <span class="s">'P 31'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/31/3g)'</span><span class="p">,],</span> |
| 2880 | <span class="c">#145</span> |
| 2881 | <span class="s">'P 32'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/31/3g)'</span><span class="p">,],</span> |
| 2882 | <span class="c">#146</span> |
| 2883 | <span class="s">'R 3'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)t'</span><span class="p">,],</span> |
| 2884 | <span class="c">#147</span> |
| 2885 | <span class="s">'P -3'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/31/3g)'</span><span class="p">,],</span> |
| 2886 | <span class="c">#148</span> |
| 2887 | <span class="s">'R -3'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2888 | <span class="c">#149</span> |
| 2889 | <span class="s">'P 3 1 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)t00'</span><span class="p">,</span><span class="s">'(1/31/3g)'</span><span class="p">,],</span> |
| 2890 | <span class="c">#150</span> |
| 2891 | <span class="s">'P 3 2 1'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)t00'</span><span class="p">,],</span> |
| 2892 | <span class="c">#151</span> |
| 2893 | <span class="s">'P 31 1 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/31/3g)'</span><span class="p">,],</span> |
| 2894 | <span class="c">#152</span> |
| 2895 | <span class="s">'P 31 2 1'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2896 | <span class="c">#153</span> |
| 2897 | <span class="s">'P 32 1 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/31/3g)'</span><span class="p">,],</span> |
| 2898 | <span class="c">#154</span> |
| 2899 | <span class="s">'P 32 2 1'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2900 | <span class="c">#155</span> |
| 2901 | <span class="s">'R 3 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)t0'</span><span class="p">,],</span> |
| 2902 | <span class="c">#156</span> |
| 2903 | <span class="s">'P 3 m 1'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,],</span> |
| 2904 | <span class="c">#157</span> |
| 2905 | <span class="s">'P 3 1 m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00s'</span><span class="p">,</span><span class="s">'(1/31/3g)'</span><span class="p">,</span><span class="s">'(1/31/3g)00s'</span><span class="p">,],</span> |
| 2906 | <span class="c">#158</span> |
| 2907 | <span class="s">'P 3 c 1'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2908 | <span class="c">#159</span> |
| 2909 | <span class="s">'P 3 1 c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/31/3g)'</span><span class="p">,],</span> |
| 2910 | <span class="c">#160</span> |
| 2911 | <span class="s">'R 3 m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s'</span><span class="p">,],</span> |
| 2912 | <span class="c">#161</span> |
| 2913 | <span class="s">'R 3 c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2914 | <span class="c">#162</span> |
| 2915 | <span class="s">'P -3 1 m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00s'</span><span class="p">,</span><span class="s">'(1/31/3g)'</span><span class="p">,</span><span class="s">'(1/31/3g)00s'</span><span class="p">,],</span> |
| 2916 | <span class="c">#163</span> |
| 2917 | <span class="s">'P -3 1 c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(1/31/3g)'</span><span class="p">,],</span> |
| 2918 | <span class="c">#164</span> |
| 2919 | <span class="s">'P -3 m 1'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,],</span> |
| 2920 | <span class="c">#165</span> |
| 2921 | <span class="s">'P -3 c 1'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2922 | <span class="c">#166 </span> |
| 2923 | <span class="s">'R -3 m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s'</span><span class="p">,],</span> |
| 2924 | <span class="c">#167</span> |
| 2925 | <span class="s">'R -3 c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2926 | <span class="c">#hexagonal - done & checked</span> |
| 2927 | <span class="c">#168</span> |
| 2928 | <span class="s">'P 6'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)h'</span><span class="p">,</span><span class="s">'(00g)t'</span><span class="p">,</span><span class="s">'(00g)s'</span><span class="p">,],</span> |
| 2929 | <span class="c">#169</span> |
| 2930 | <span class="s">'P 61'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2931 | <span class="c">#170</span> |
| 2932 | <span class="s">'P 65'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2933 | <span class="c">#171</span> |
| 2934 | <span class="s">'P 62'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)h'</span><span class="p">,],</span> |
| 2935 | <span class="c">#172</span> |
| 2936 | <span class="s">'P 64'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)h'</span><span class="p">,],</span> |
| 2937 | <span class="c">#173</span> |
| 2938 | <span class="s">'P 63'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)h'</span><span class="p">,],</span> |
| 2939 | <span class="c">#174</span> |
| 2940 | <span class="s">'P -6'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2941 | <span class="c">#175</span> |
| 2942 | <span class="s">'P 6/m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0'</span><span class="p">,],</span> |
| 2943 | <span class="c">#176</span> |
| 2944 | <span class="s">'P 63/m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2945 | <span class="c">#177</span> |
| 2946 | <span class="s">'P 6 2 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)h00'</span><span class="p">,</span><span class="s">'(00g)t00'</span><span class="p">,</span><span class="s">'(00g)s00'</span><span class="p">,],</span> |
| 2947 | <span class="c">#178</span> |
| 2948 | <span class="s">'P 61 2 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2949 | <span class="c">#179</span> |
| 2950 | <span class="s">'P 65 2 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2951 | <span class="c">#180</span> |
| 2952 | <span class="s">'P 62 2 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)h00'</span><span class="p">,],</span> |
| 2953 | <span class="c">#181</span> |
| 2954 | <span class="s">'P 64 2 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)h00'</span><span class="p">,],</span> |
| 2955 | <span class="c">#182</span> |
| 2956 | <span class="s">'P 63 2 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)h00'</span><span class="p">,],</span> |
| 2957 | <span class="c">#183</span> |
| 2958 | <span class="s">'P 6 m m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)ss0'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,],</span> |
| 2959 | <span class="c">#184</span> |
| 2960 | <span class="s">'P 6 c c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s'</span><span class="p">,],</span> |
| 2961 | <span class="c">#185</span> |
| 2962 | <span class="s">'P 63 c m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,],</span> |
| 2963 | <span class="c">#186</span> |
| 2964 | <span class="s">'P 63 m c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0ss'</span><span class="p">,],</span> |
| 2965 | <span class="c">#187</span> |
| 2966 | <span class="s">'P -6 m 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)0s0'</span><span class="p">,],</span> |
| 2967 | <span class="c">#188</span> |
| 2968 | <span class="s">'P -6 c 2'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2969 | <span class="c">#189</span> |
| 2970 | <span class="s">'P -6 2 m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00s'</span><span class="p">,],</span> |
| 2971 | <span class="c">#190</span> |
| 2972 | <span class="s">'P -6 2 c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,],</span> |
| 2973 | <span class="c">#191</span> |
| 2974 | <span class="s">'P 6/m m m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s0s0'</span><span class="p">,</span><span class="s">'(00g)00ss'</span><span class="p">,</span><span class="s">'(00g)s00s'</span><span class="p">,],</span> |
| 2975 | <span class="c">#192</span> |
| 2976 | <span class="s">'P 6/m c c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)s00s'</span><span class="p">,],</span> |
| 2977 | <span class="c">#193</span> |
| 2978 | <span class="s">'P 63/m c m'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00ss'</span><span class="p">,],</span> |
| 2979 | <span class="c">#194</span> |
| 2980 | <span class="s">'P 63/m m c'</span><span class="p">:[</span><span class="s">'(00g)'</span><span class="p">,</span><span class="s">'(00g)00ss'</span><span class="p">],</span> |
| 2981 | <span class="p">}</span> |
| 2982 | |