Changeset 911
- Timestamp:
- May 16, 2013 3:31:31 PM (10 years ago)
- Location:
- trunk/sphinxdocs
- Files:
-
- 6 added
- 12 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/sphinxdocs/build/html/GSASIImapvars.html
r907 r911 27 27 <script type="text/javascript" src="_static/doctools.js"></script> 28 28 <link rel="top" title="GSAS-II 0.2.0 documentation" href="index.html" /> 29 <link rel="next" title="GSASIIgrid: Basic GUI routines" href="GSASIIgrid.html" /> 29 30 <link rel="prev" title="GSAS-II Main Module" href="GSASII.html" /> 30 31 </head> … … 39 40 <a href="py-modindex.html" title="Python Module Index" 40 41 >modules</a> |</li> 42 <li class="right" > 43 <a href="GSASIIgrid.html" title="GSASIIgrid: Basic GUI routines" 44 accesskey="N">next</a> |</li> 41 45 <li class="right" > 42 46 <a href="GSASII.html" title="GSAS-II Main Module" … … 502 506 <p class="topless"><a href="GSASII.html" 503 507 title="previous chapter"><em>GSAS-II Main Module</em></a></p> 508 <h4>Next topic</h4> 509 <p class="topless"><a href="GSASIIgrid.html" 510 title="next chapter"><em>GSASIIgrid: Basic GUI routines</em></a></p> 504 511 <h3>This Page</h3> 505 512 <ul class="this-page-menu"> … … 534 541 >modules</a> |</li> 535 542 <li class="right" > 543 <a href="GSASIIgrid.html" title="GSASIIgrid: Basic GUI routines" 544 >next</a> |</li> 545 <li class="right" > 536 546 <a href="GSASII.html" title="GSAS-II Main Module" 537 547 >previous</a> |</li> -
trunk/sphinxdocs/build/html/GSASIIphsGUI.html
r907 r911 27 27 <script type="text/javascript" src="_static/doctools.js"></script> 28 28 <link rel="top" title="GSAS-II 0.2.0 documentation" href="index.html" /> 29 <link rel="prev" title="GSASIImapvars: Parameter constraints" href="GSASIImapvars.html" /> 29 <link rel="next" title="GSASIIddataGUI: Phase Diffraction Data GUI" href="GSASIIddataGUI.html" /> 30 <link rel="prev" title="GSASIIgrid: Basic GUI routines" href="GSASIIgrid.html" /> 30 31 </head> 31 32 <body> … … 40 41 >modules</a> |</li> 41 42 <li class="right" > 42 <a href="GSASIImapvars.html" title="GSASIImapvars: Parameter constraints" 43 <a href="GSASIIddataGUI.html" title="GSASIIddataGUI: Phase Diffraction Data GUI" 44 accesskey="N">next</a> |</li> 45 <li class="right" > 46 <a href="GSASIIgrid.html" title="GSASIIgrid: Basic GUI routines" 43 47 accesskey="P">previous</a> |</li> 44 48 <li><a href="index.html">GSAS-II 0.2.0 documentation</a> »</li> … … 55 59 <p>Module to create the GUI for display of phase information 56 60 in the data display window when a phase is selected. 57 (Items displayed by some tabs is found in other modules.)</p> 61 (pages displayed in response to some phase tabs are done in other modules, 62 such as GSASIIddata.)</p> 58 63 <dl class="function"> 59 64 <dt id="GSASIIphsGUI.UpdatePhaseData"> … … 61 66 <dd><p>Create the data display window contents when a phase is clicked on 62 67 in the man (data tree) window. 63 Called only from < tt class="xref py py-mod docutils literal"><span class="pre">GSASIIgrid.MovePatternTreeToGrid</span></tt>,68 Called only from <a class="reference internal" href="GSASIIgrid.html#GSASIIgrid.MovePatternTreeToGrid" title="GSASIIgrid.MovePatternTreeToGrid"><tt class="xref py py-mod docutils literal"><span class="pre">GSASIIgrid.MovePatternTreeToGrid</span></tt></a>, 64 69 which in turn is called from <a class="reference internal" href="GSASII.html#GSASII.GSASII.OnPatternTreeSelChanged" title="GSASII.GSASII.OnPatternTreeSelChanged"><tt class="xref py py-mod docutils literal"><span class="pre">GSASII.GSASII.OnPatternTreeSelChanged</span></tt></a> 65 70 when a tree item is selected.</p> … … 74 79 <li><strong>oldPage</strong> (<em>int</em>) – This sets a tab to select when moving 75 80 from one phase to another, in which case the same tab is selected 76 to display first. The default is 0, which brings up the General tab.</li> 81 to display first. This is set only when the previous data tree 82 selection is a phase, if not the value is None. The default action 83 is to bring up the General tab.</li> 77 84 </ul> 78 85 </td> … … 91 98 <div class="sphinxsidebarwrapper"> 92 99 <h4>Previous topic</h4> 93 <p class="topless"><a href="GSASIImapvars.html" 94 title="previous chapter"><em>GSASIImapvars: Parameter constraints</em></a></p> 100 <p class="topless"><a href="GSASIIgrid.html" 101 title="previous chapter"><em>GSASIIgrid: Basic GUI routines</em></a></p> 102 <h4>Next topic</h4> 103 <p class="topless"><a href="GSASIIddataGUI.html" 104 title="next chapter"><em>GSASIIddataGUI: Phase Diffraction Data GUI</em></a></p> 95 105 <h3>This Page</h3> 96 106 <ul class="this-page-menu"> … … 125 135 >modules</a> |</li> 126 136 <li class="right" > 127 <a href="GSASIImapvars.html" title="GSASIImapvars: Parameter constraints" 137 <a href="GSASIIddataGUI.html" title="GSASIIddataGUI: Phase Diffraction Data GUI" 138 >next</a> |</li> 139 <li class="right" > 140 <a href="GSASIIgrid.html" title="GSASIIgrid: Basic GUI routines" 128 141 >previous</a> |</li> 129 142 <li><a href="index.html">GSAS-II 0.2.0 documentation</a> »</li> -
trunk/sphinxdocs/build/html/_modules/GSASII.html
r907 r911 54 54 <span class="c">#GSASII</span> 55 55 <span class="c">########### SVN repository information ###################</span> 56 <span class="c"># $Date: 2013-0 4-24 12:41:15 -0500 (Wed, 24 Apr2013) $</span>56 <span class="c"># $Date: 2013-05-15 18:18:22 -0500 (Wed, 15 May 2013) $</span> 57 57 <span class="c"># $Author: toby $</span> 58 <span class="c"># $Revision: 891$</span>58 <span class="c"># $Revision: 906 $</span> 59 59 <span class="c"># $URL: https://subversion.xor.aps.anl.gov/pyGSAS/trunk/GSASII.py $</span> 60 <span class="c"># $Id: GSASII.py 891 2013-04-24 17:41:15Z toby $</span>60 <span class="c"># $Id: GSASII.py 906 2013-05-15 23:18:22Z toby $</span> 61 61 <span class="c">########### SVN repository information ###################</span> 62 62 <span class="sd">'''</span> … … 114 114 <span class="c"># load the GSAS routines</span> 115 115 <span class="kn">import</span> <span class="nn">GSASIIpath</span> 116 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 891$"</span><span class="p">)</span>116 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 906 $"</span><span class="p">)</span> 117 117 <span class="kn">import</span> <span class="nn">GSASIIIO</span> <span class="kn">as</span> <span class="nn">G2IO</span> 118 118 <span class="kn">import</span> <span class="nn">GSASIIgrid</span> <span class="kn">as</span> <span class="nn">G2gd</span> … … 306 306 307 307 <div class="viewcode-block" id="GSASII.OnImportGeneric"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnImportGeneric">[docs]</a> <span class="k">def</span> <span class="nf">OnImportGeneric</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">reader</span><span class="p">,</span><span class="n">readerlist</span><span class="p">,</span><span class="n">label</span><span class="p">,</span><span class="n">multiple</span><span class="o">=</span><span class="bp">False</span><span class="p">):</span> 308 <span class="sd">'''Call the requested import reader or all of the appropriate</span> 309 <span class="sd"> import readers in response to a menu item</span> 308 <span class="sd">'''Used to import Phases, powder dataset or single</span> 309 <span class="sd"> crystal datasets (structure factor tables) using reader objects</span> 310 <span class="sd"> subclassed from GSASIIIO.ImportPhase, GSASIIIO.ImportStructFactor</span> 311 <span class="sd"> or GSASIIIO.ImportPowderData. If a reader is specified, only</span> 312 <span class="sd"> that will be attempted, but if no reader is specified, every one</span> 313 <span class="sd"> that is potentially compatible (by file extension) will</span> 314 <span class="sd"> be tried on the selected file(s). </span> 315 316 <span class="sd"> :param readerobject reader: This will be a reference to</span> 317 <span class="sd"> a particular object to be used to read a file or None,</span> 318 <span class="sd"> if every appropriate reader should be used.</span> 319 320 <span class="sd"> :param list readerlist: a list of reader objects appropriate for</span> 321 <span class="sd"> the current read attempt. At present, this will be either</span> 322 <span class="sd"> self.ImportPhaseReaderlist, self.ImportSfactReaderlist or</span> 323 <span class="sd"> self.ImportPowderReaderlist (defined in _init_Imports from</span> 324 <span class="sd"> the files found in the path), but in theory this list could</span> 325 <span class="sd"> be tailored. Used only when reader is None.</span> 326 327 <span class="sd"> :param str label: string to place on the open file dialog:</span> 328 <span class="sd"> Open `label` input file</span> 329 330 <span class="sd"> :param bool multiple: True if multiple files can be selected</span> 331 <span class="sd"> in the file dialog. False is default. At present True is used</span> 332 <span class="sd"> only for reading of powder data. </span> 333 <span class="sd"> </span> 334 <span class="sd"> :returns: a list of reader objects (rd_list) that were able</span> 335 <span class="sd"> to read the specified file(s). This list may be empty. </span> 310 336 <span class="sd"> '''</span> 311 337 <span class="bp">self</span><span class="o">.</span><span class="n">lastimport</span> <span class="o">=</span> <span class="s">''</span> … … 487 513 488 514 <div class="viewcode-block" id="GSASII.OnImportPhase"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnImportPhase">[docs]</a> <span class="k">def</span> <span class="nf">OnImportPhase</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span> 515 <span class="sd">'''Called in response to an Import/Phase/... menu item</span> 516 <span class="sd"> to read phase information.</span> 517 <span class="sd"> dict self.ImportMenuId is used to look up the specific</span> 518 <span class="sd"> reader item associated with the menu item, which will be</span> 519 <span class="sd"> None for the last menu item, which is the "guess" option</span> 520 <span class="sd"> where all appropriate formats will be tried.</span> 521 <span class="sd"> '''</span> 489 522 <span class="c"># look up which format was requested</span> 490 523 <span class="n">reqrdr</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">ImportMenuId</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="n">event</span><span class="o">.</span><span class="n">GetId</span><span class="p">())</span> … … 536 569 537 570 <div class="viewcode-block" id="GSASII.OnImportSfact"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnImportSfact">[docs]</a> <span class="k">def</span> <span class="nf">OnImportSfact</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span> 571 <span class="sd">'''Called in response to an Import/Structure Factor/... menu item</span> 572 <span class="sd"> to read single crystal datasets. </span> 573 <span class="sd"> dict self.ImportMenuId is used to look up the specific</span> 574 <span class="sd"> reader item associated with the menu item, which will be</span> 575 <span class="sd"> None for the last menu item, which is the "guess" option</span> 576 <span class="sd"> where all appropriate formats will be tried.</span> 577 <span class="sd"> '''</span> 538 578 <span class="c"># look up which format was requested</span> 539 579 <span class="n">reqrdr</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">ImportMenuId</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="n">event</span><span class="o">.</span><span class="n">GetId</span><span class="p">())</span> … … 586 626 587 627 <div class="viewcode-block" id="GSASII.ReadPowderInstprm"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.ReadPowderInstprm">[docs]</a> <span class="k">def</span> <span class="nf">ReadPowderInstprm</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">instfile</span><span class="p">):</span> <span class="c">#fix the write routine for [inst1,inst2] style</span> 588 <span class="sd">'''Read a GSAS-II (new) instrument parameter file'''</span> 628 <span class="sd">'''Read a GSAS-II (new) instrument parameter file</span> 629 630 <span class="sd"> :param str instfile: name of instrument parameter file</span> 631 632 <span class="sd"> '''</span> 589 633 <span class="k">if</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">splitext</span><span class="p">(</span><span class="n">instfile</span><span class="p">)[</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">lower</span><span class="p">()</span> <span class="o">!=</span> <span class="s">'.instprm'</span><span class="p">:</span> <span class="c"># invalid file</span> 590 634 <span class="k">return</span> <span class="bp">None</span> … … 614 658 </div> 615 659 <div class="viewcode-block" id="GSASII.ReadPowderIparm"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.ReadPowderIparm">[docs]</a> <span class="k">def</span> <span class="nf">ReadPowderIparm</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">instfile</span><span class="p">,</span><span class="n">bank</span><span class="p">,</span><span class="n">databanks</span><span class="p">,</span><span class="n">rd</span><span class="p">):</span> 616 <span class="sd">'''Read a GSAS (old) instrument parameter file'''</span> 660 <span class="sd">'''Read a GSAS (old) instrument parameter file</span> 661 662 <span class="sd"> :param str instfile: name of instrument parameter file</span> 663 664 <span class="sd"> :param int bank: the bank number read in the raw data file</span> 665 666 <span class="sd"> :param int databanks: the number of banks in the raw data file.</span> 667 <span class="sd"> If the number of banks in the data and instrument parameter files</span> 668 <span class="sd"> agree, then the sets of banks are assumed to match up and bank</span> 669 <span class="sd"> is used to select the instrument parameter file. If not, the user</span> 670 <span class="sd"> is asked to make a selection.</span> 671 672 <span class="sd"> :param obj rd: the raw data (histogram) data object. This</span> 673 <span class="sd"> sets rd.instbank.</span> 674 675 <span class="sd"> '''</span> 617 676 <span class="k">if</span> <span class="ow">not</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">exists</span><span class="p">(</span><span class="n">instfile</span><span class="p">):</span> <span class="c"># no such file</span> 618 677 <span class="k">return</span> <span class="p">{}</span> … … 661 720 <span class="sd">'''Open and read an instrument parameter file for a data file</span> 662 721 <span class="sd"> Returns the list of parameters used in the data tree</span> 722 723 <span class="sd"> :param obj rd: the raw data (histogram) data object.</span> 724 725 <span class="sd"> :param str prevIparm: not used</span> 726 727 <span class="sd"> :param str lastIparmfile: Name of last instrument parameter</span> 728 <span class="sd"> file that was read, or a empty string. </span> 729 730 <span class="sd"> :param str lastdatafile: Name of last data file that was read.</span> 731 663 732 <span class="sd"> '''</span> 664 733 <span class="k">def</span> <span class="nf">SetPowderInstParms</span><span class="p">(</span><span class="n">Iparm</span><span class="p">,</span> <span class="n">rd</span><span class="p">):</span> … … 888 957 </div> 889 958 <div class="viewcode-block" id="GSASII.OnImportPowder"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnImportPowder">[docs]</a> <span class="k">def</span> <span class="nf">OnImportPowder</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span> 890 <span class="sd">'''reads powder data using a variety of formats</span> 891 <span class="sd"> reads an instrument parameter file for each dataset</span> 959 <span class="sd">'''Called in response to an Import/Powder Data/... menu item</span> 960 <span class="sd"> to read a powder diffraction data set. </span> 961 <span class="sd"> dict self.ImportMenuId is used to look up the specific</span> 962 <span class="sd"> reader item associated with the menu item, which will be</span> 963 <span class="sd"> None for the last menu item, which is the "guess" option</span> 964 <span class="sd"> where all appropriate formats will be tried.</span> 965 966 <span class="sd"> Also reads an instrument parameter file for each dataset.</span> 892 967 <span class="sd"> '''</span> 893 968 <span class="n">reqrdr</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">ImportMenuId</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="n">event</span><span class="o">.</span><span class="n">GetId</span><span class="p">())</span> <span class="c"># look up which format was requested</span> … … 1168 1243 1169 1244 <div class="viewcode-block" id="GSASII.OnSize"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnSize">[docs]</a> <span class="k">def</span> <span class="nf">OnSize</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span> 1245 <span class="s">'Called when the main window is resized. Not sure why'</span> 1170 1246 <span class="n">w</span><span class="p">,</span><span class="n">h</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">GetClientSizeTuple</span><span class="p">()</span> 1171 1247 <span class="bp">self</span><span class="o">.</span><span class="n">mainPanel</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Size</span><span class="p">(</span><span class="n">w</span><span class="p">,</span><span class="n">h</span><span class="p">))</span> … … 1173 1249 </div> 1174 1250 <div class="viewcode-block" id="GSASII.OnPatternTreeSelChanged"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnPatternTreeSelChanged">[docs]</a> <span class="k">def</span> <span class="nf">OnPatternTreeSelChanged</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">event</span><span class="p">):</span> 1251 <span class="sd">'''Called when a data tree item is selected'''</span> 1175 1252 <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">TreeItemDelete</span><span class="p">:</span> 1176 1253 <span class="bp">self</span><span class="o">.</span><span class="n">TreeItemDelete</span> <span class="o">=</span> <span class="bp">False</span> … … 1186 1263 </div> 1187 1264 <div class="viewcode-block" id="GSASII.OnPatternTreeItemCollapsed"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnPatternTreeItemCollapsed">[docs]</a> <span class="k">def</span> <span class="nf">OnPatternTreeItemCollapsed</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">event</span><span class="p">):</span> 1265 <span class="s">'Called when a tree item is collapsed'</span> 1188 1266 <span class="n">event</span><span class="o">.</span><span class="n">Skip</span><span class="p">()</span> 1189 1267 </div> 1190 1268 <div class="viewcode-block" id="GSASII.OnPatternTreeItemExpanded"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnPatternTreeItemExpanded">[docs]</a> <span class="k">def</span> <span class="nf">OnPatternTreeItemExpanded</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">event</span><span class="p">):</span> 1269 <span class="s">'Called when a tree item is expanded'</span> 1191 1270 <span class="n">event</span><span class="o">.</span><span class="n">Skip</span><span class="p">()</span> 1192 1271 </div> 1193 1272 <div class="viewcode-block" id="GSASII.OnPatternTreeItemDelete"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnPatternTreeItemDelete">[docs]</a> <span class="k">def</span> <span class="nf">OnPatternTreeItemDelete</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">event</span><span class="p">):</span> 1273 <span class="s">'Called when a tree item is deleted -- not sure what this does'</span> 1194 1274 <span class="bp">self</span><span class="o">.</span><span class="n">TreeItemDelete</span> <span class="o">=</span> <span class="bp">True</span> 1195 1275 </div> 1196 1276 <div class="viewcode-block" id="GSASII.OnPatternTreeItemActivated"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnPatternTreeItemActivated">[docs]</a> <span class="k">def</span> <span class="nf">OnPatternTreeItemActivated</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">event</span><span class="p">):</span> 1277 <span class="s">'Called when a tree item is activated'</span> 1197 1278 <span class="n">event</span><span class="o">.</span><span class="n">Skip</span><span class="p">()</span> 1198 1279 </div> 1199 1280 <div class="viewcode-block" id="GSASII.OnPatternTreeKeyDown"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnPatternTreeKeyDown">[docs]</a> <span class="k">def</span> <span class="nf">OnPatternTreeKeyDown</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span> 1281 <span class="s">'Not sure what this does'</span> 1200 1282 <span class="n">key</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">GetKeyCode</span><span class="p">()</span> 1201 1283 <span class="n">item</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">PickId</span> … … 1209 1291 </div> 1210 1292 <div class="viewcode-block" id="GSASII.OnReadPowderPeaks"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnReadPowderPeaks">[docs]</a> <span class="k">def</span> <span class="nf">OnReadPowderPeaks</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span> 1293 <span class="s">'Bound to menu Data/Read Powder Peaks -- still needed?'</span> 1211 1294 <span class="n">Cuka</span> <span class="o">=</span> <span class="mf">1.54052</span> 1212 1295 <span class="bp">self</span><span class="o">.</span><span class="n">CheckNotebook</span><span class="p">()</span> … … 1234 1317 </div> 1235 1318 <div class="viewcode-block" id="GSASII.OnImageRead"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnImageRead">[docs]</a> <span class="k">def</span> <span class="nf">OnImageRead</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span> 1319 <span class="s">'Called to read in an image in any known format'</span> 1236 1320 <span class="bp">self</span><span class="o">.</span><span class="n">CheckNotebook</span><span class="p">()</span> 1237 1321 <span class="n">dlg</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">FileDialog</span><span class="p">(</span> … … 1320 1404 </div> 1321 1405 <div class="viewcode-block" id="GSASII.CheckNotebook"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.CheckNotebook">[docs]</a> <span class="k">def</span> <span class="nf">CheckNotebook</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> 1322 <span class="sd">'''Make sure the data tree has the minimally expected controls </span>1406 <span class="sd">'''Make sure the data tree has the minimally expected controls.</span> 1323 1407 <span class="sd"> (BHT) correct?</span> 1324 1408 <span class="sd"> '''</span> … … 1346 1430 </div> 1347 1431 <div class="viewcode-block" id="GSASII.CopyDialog"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.CopyDialog">[docs]</a> <span class="k">class</span> <span class="nc">CopyDialog</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Dialog</span><span class="p">):</span> 1432 <span class="sd">'''Creates a dialog for copying control settings between</span> 1433 <span class="sd"> data tree items'''</span> 1348 1434 <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">parent</span><span class="p">,</span><span class="n">title</span><span class="p">,</span><span class="n">text</span><span class="p">,</span><span class="n">data</span><span class="p">):</span> 1349 1435 <span class="n">wx</span><span class="o">.</span><span class="n">Dialog</span><span class="o">.</span><span class="n">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">parent</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">title</span><span class="p">,</span> … … 1397 1483 </div> 1398 1484 <div class="viewcode-block" id="GSASII.SumDialog"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.SumDialog">[docs]</a> <span class="k">class</span> <span class="nc">SumDialog</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Dialog</span><span class="p">):</span> 1485 <span class="s">'Allows user to supply scale factor(s) when summing data'</span> 1399 1486 <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">parent</span><span class="p">,</span><span class="n">title</span><span class="p">,</span><span class="n">text</span><span class="p">,</span><span class="n">dataType</span><span class="p">,</span><span class="n">data</span><span class="p">):</span> 1400 1487 <span class="n">wx</span><span class="o">.</span><span class="n">Dialog</span><span class="o">.</span><span class="n">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">parent</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">title</span><span class="p">,</span> … … 1537 1624 </div> 1538 1625 <div class="viewcode-block" id="GSASII.OnPwdrSum"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnPwdrSum">[docs]</a> <span class="k">def</span> <span class="nf">OnPwdrSum</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span> 1626 <span class="s">'Sum together powder data(?)'</span> 1539 1627 <span class="n">TextList</span> <span class="o">=</span> <span class="p">[]</span> 1540 1628 <span class="n">DataList</span> <span class="o">=</span> <span class="p">[]</span> … … 1633 1721 </div> 1634 1722 <div class="viewcode-block" id="GSASII.OnImageSum"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnImageSum">[docs]</a> <span class="k">def</span> <span class="nf">OnImageSum</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span> 1723 <span class="s">'Sum together image data(?)'</span> 1635 1724 <span class="n">TextList</span> <span class="o">=</span> <span class="p">[]</span> 1636 1725 <span class="n">DataList</span> <span class="o">=</span> <span class="p">[]</span> … … 1735 1824 </div> 1736 1825 <div class="viewcode-block" id="GSASII.OnAddPhase"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnAddPhase">[docs]</a> <span class="k">def</span> <span class="nf">OnAddPhase</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span> 1826 <span class="s">'Add a new, empty phase to the tree. Called by Data/Add Phase menu'</span> 1737 1827 <span class="k">if</span> <span class="ow">not</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="bp">self</span><span class="o">.</span><span class="n">root</span><span class="p">,</span><span class="s">'Phases'</span><span class="p">):</span> 1738 1828 <span class="n">sub</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">AppendItem</span><span class="p">(</span><span class="n">parent</span><span class="o">=</span><span class="bp">self</span><span class="o">.</span><span class="n">root</span><span class="p">,</span><span class="n">text</span><span class="o">=</span><span class="s">'Phases'</span><span class="p">)</span> … … 1750 1840 </div> 1751 1841 <div class="viewcode-block" id="GSASII.OnDeletePhase"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnDeletePhase">[docs]</a> <span class="k">def</span> <span class="nf">OnDeletePhase</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span> 1842 <span class="s">'Delete a phase from the tree. Called by Data/Delete Phase menu'</span> 1752 1843 <span class="c">#Hmm, also need to delete this phase from Reflection Lists for each PWDR histogram</span> 1753 1844 <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">:</span> … … 1794 1885 </div> 1795 1886 <div class="viewcode-block" id="GSASII.OnRenameData"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnRenameData">[docs]</a> <span class="k">def</span> <span class="nf">OnRenameData</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span> 1887 <span class="s">'Renames an existing phase. Called by Data/Rename Phase menu'</span> 1796 1888 <span class="n">name</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemText</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">PickId</span><span class="p">)</span> 1797 1889 <span class="k">if</span> <span class="s">'PWDR'</span> <span class="ow">in</span> <span class="n">name</span> <span class="ow">or</span> <span class="s">'HKLF'</span> <span class="ow">in</span> <span class="n">name</span> <span class="ow">or</span> <span class="s">'IMG'</span> <span class="ow">in</span> <span class="n">name</span><span class="p">:</span> … … 1806 1898 </div> 1807 1899 <div class="viewcode-block" id="GSASII.GetFileList"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.GetFileList">[docs]</a> <span class="k">def</span> <span class="nf">GetFileList</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">fileType</span><span class="p">,</span><span class="n">skip</span><span class="o">=</span><span class="bp">None</span><span class="p">):</span> <span class="c">#potentially useful?</span> 1900 <span class="s">'Appears unused. Note routine of same name in GSASIIpwdGUI'</span> 1808 1901 <span class="n">fileList</span> <span class="o">=</span> <span class="p">[]</span> 1809 1902 <span class="n">Source</span> <span class="o">=</span> <span class="s">''</span> … … 1823 1916 </div> 1824 1917 <div class="viewcode-block" id="GSASII.OnDataDelete"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnDataDelete">[docs]</a> <span class="k">def</span> <span class="nf">OnDataDelete</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">event</span><span class="p">):</span> 1918 <span class="sd">'''Delete one or more histograms from data tree. Called by the</span> 1919 <span class="sd"> Data/DeleteData menu</span> 1920 <span class="sd"> '''</span> 1825 1921 <span class="n">TextList</span> <span class="o">=</span> <span class="p">[</span><span class="s">'All Data'</span><span class="p">]</span> 1826 1922 <span class="n">DelList</span> <span class="o">=</span> <span class="p">[]</span> … … 1872 1968 </div> 1873 1969 <div class="viewcode-block" id="GSASII.OnFileOpen"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnFileOpen">[docs]</a> <span class="k">def</span> <span class="nf">OnFileOpen</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">event</span><span class="p">):</span> 1970 <span class="sd">'''Reads in a GSAS-II .gpx project file in response to the</span> 1971 <span class="sd"> File/Open Project menu button</span> 1972 <span class="sd"> '''</span> 1874 1973 <span class="n">result</span> <span class="o">=</span> <span class="s">''</span> 1875 1974 <span class="n">Id</span> <span class="o">=</span> <span class="mi">0</span> … … 1924 2023 </div> 1925 2024 <div class="viewcode-block" id="GSASII.OnFileClose"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnFileClose">[docs]</a> <span class="k">def</span> <span class="nf">OnFileClose</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">event</span><span class="p">):</span> 2025 <span class="sd">'''Clears the data tree in response to the</span> 2026 <span class="sd"> File/Close Project menu button. User is given option to save</span> 2027 <span class="sd"> the project.</span> 2028 <span class="sd"> '''</span> 1926 2029 <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">:</span> 1927 2030 <span class="bp">self</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Clear</span><span class="p">()</span> … … 1943 2046 </div> 1944 2047 <div class="viewcode-block" id="GSASII.OnFileSave"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnFileSave">[docs]</a> <span class="k">def</span> <span class="nf">OnFileSave</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">event</span><span class="p">):</span> 2048 <span class="sd">'''Save the current project in response to the</span> 2049 <span class="sd"> File/Save Project menu button</span> 2050 <span class="sd"> '''</span> 1945 2051 1946 2052 <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">GSASprojectfile</span><span class="p">:</span> … … 1951 2057 </div> 1952 2058 <div class="viewcode-block" id="GSASII.OnFileSaveas"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnFileSaveas">[docs]</a> <span class="k">def</span> <span class="nf">OnFileSaveas</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">event</span><span class="p">):</span> 2059 <span class="sd">'''Save the current project in response to the</span> 2060 <span class="sd"> File/Save as menu button</span> 2061 <span class="sd"> '''</span> 1953 2062 <span class="n">dlg</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">FileDialog</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="s">'Choose GSAS-II project file name'</span><span class="p">,</span> <span class="s">'.'</span><span class="p">,</span> <span class="s">''</span><span class="p">,</span> 1954 2063 <span class="s">'GSAS-II project file (*.gpx)|*.gpx'</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">FD_SAVE</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">FD_OVERWRITE_PROMPT</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CHANGE_DIR</span><span class="p">)</span> … … 1966 2075 </div> 1967 2076 <div class="viewcode-block" id="GSASII.ExitMain"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.ExitMain">[docs]</a> <span class="k">def</span> <span class="nf">ExitMain</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">event</span><span class="p">):</span> 2077 <span class="sd">'''Called if the main window is closed'''</span> 1968 2078 <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">undofile</span><span class="p">:</span> 1969 2079 <span class="n">os</span><span class="o">.</span><span class="n">remove</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">undofile</span><span class="p">)</span> … … 1971 2081 </div> 1972 2082 <div class="viewcode-block" id="GSASII.OnFileExit"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnFileExit">[docs]</a> <span class="k">def</span> <span class="nf">OnFileExit</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">event</span><span class="p">):</span> 2083 <span class="sd">'''Called in response to the File/Quit menu button'''</span> 1973 2084 <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">:</span> 1974 2085 <span class="bp">self</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Clear</span><span class="p">()</span> … … 2070 2181 2071 2182 <div class="viewcode-block" id="GSASII.OnMakePDFs"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnMakePDFs">[docs]</a> <span class="k">def</span> <span class="nf">OnMakePDFs</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span> 2183 <span class="sd">'''Calculates PDFs</span> 2184 <span class="sd"> '''</span> 2072 2185 <span class="n">tth2q</span> <span class="o">=</span> <span class="k">lambda</span> <span class="n">t</span><span class="p">,</span><span class="n">w</span><span class="p">:</span><span class="mf">4.0</span><span class="o">*</span><span class="n">math</span><span class="o">.</span><span class="n">pi</span><span class="o">*</span><span class="n">sind</span><span class="p">(</span><span class="n">t</span><span class="o">/</span><span class="mf">2.0</span><span class="p">)</span><span class="o">/</span><span class="n">w</span> 2073 2186 <span class="n">TextList</span> <span class="o">=</span> <span class="p">[</span><span class="s">'All PWDR'</span><span class="p">]</span> … … 2114 2227 <div class="viewcode-block" id="GSASII.GetPWDRdatafromTree"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.GetPWDRdatafromTree">[docs]</a> <span class="k">def</span> <span class="nf">GetPWDRdatafromTree</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">PWDRname</span><span class="p">):</span> 2115 2228 <span class="sd">''' Returns powder data from GSASII tree</span> 2116 <span class="sd"> input: </span> 2117 <span class="sd"> PWDRname = powder histogram name as obtained from GetHistogramNames</span> 2118 <span class="sd"> return: </span> 2119 <span class="sd"> PWDRdata = powder data dictionary with:</span> 2120 <span class="sd"> Data - powder data arrays, Limits, Instrument Parameters, Sample Parameters </span> 2229 2230 <span class="sd"> :param str PWDRname: a powder histogram name as obtained from</span> 2231 <span class="sd"> :mod:`GSASIIstruct.GetHistogramNames`</span> 2232 2233 <span class="sd"> :returns: PWDRdata = powder data dictionary with</span> 2234 <span class="sd"> Powder data arrays, Limits, Instrument Parameters,</span> 2235 <span class="sd"> Sample Parameters </span> 2121 2236 <span class="sd"> '''</span> 2122 2237 <span class="n">PWDRdata</span> <span class="o">=</span> <span class="p">{}</span> … … 2138 2253 <div class="viewcode-block" id="GSASII.GetHKLFdatafromTree"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.GetHKLFdatafromTree">[docs]</a> <span class="k">def</span> <span class="nf">GetHKLFdatafromTree</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">HKLFname</span><span class="p">):</span> 2139 2254 <span class="sd">''' Returns single crystal data from GSASII tree</span> 2140 <span class="sd"> input: </span> 2141 <span class="sd"> HKLFname = single crystal histogram name as obtained from GetHistogramNames</span> 2142 <span class="sd"> return: </span> 2143 <span class="sd"> HKLFdata = single crystal data list of reflections: for each reflection:</span> 2144 <span class="sd"> HKLF = </span> 2255 2256 <span class="sd"> :param str HKLFname: a single crystal histogram name as obtained</span> 2257 <span class="sd"> from</span> 2258 <span class="sd"> :mod:`GSASIIstruct.GetHistogramNames`</span> 2259 2260 <span class="sd"> :returns: HKLFdata = single crystal data list of reflections</span> 2261 2145 2262 <span class="sd"> '''</span> 2146 2263 <span class="n">HKLFdata</span> <span class="o">=</span> <span class="p">{}</span> … … 2154 2271 </div> 2155 2272 <div class="viewcode-block" id="GSASII.GetPhaseData"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.GetPhaseData">[docs]</a> <span class="k">def</span> <span class="nf">GetPhaseData</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> 2273 <span class="sd">'''Returns a list of defined phases. Used only in GSASIIgrid</span> 2274 <span class="sd"> Note routine :mod:`GSASIIstruct.GetPhaseData` also exists.</span> 2275 <span class="sd"> '''</span> 2156 2276 <span class="n">phaseData</span> <span class="o">=</span> <span class="p">{}</span> 2157 2277 <span class="k">if</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="bp">self</span><span class="o">.</span><span class="n">root</span><span class="p">,</span><span class="s">'Phases'</span><span class="p">):</span> … … 2173 2293 <span class="sd">''' Returns all histograms that are found in any phase</span> 2174 2294 <span class="sd"> and any phase that uses a histogram</span> 2175 <span class="sd"> return:</span> 2176 <span class="sd"> Histograms = dictionary of histograms as {name:data,...}</span> 2177 <span class="sd"> Phases = dictionary of phases that use histograms</span> 2295 <span class="sd"> :returns: two dicts:</span> 2296 2297 <span class="sd"> * Histograms = dictionary of histograms as {name:data,...}</span> 2298 <span class="sd"> * Phases = dictionary of phases that use histograms</span> 2178 2299 <span class="sd"> '''</span> 2179 2300 <span class="n">phaseData</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">GetPhaseData</span><span class="p">()</span> … … 2204 2325 </div> 2205 2326 <div class="viewcode-block" id="GSASII.ViewParmDialog"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.ViewParmDialog">[docs]</a> <span class="k">class</span> <span class="nc">ViewParmDialog</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Dialog</span><span class="p">):</span> 2327 <span class="sd">'''Window to show all parameters in the refinement.</span> 2328 <span class="sd"> Called from :mod:`OnViewLSParms`</span> 2329 <span class="sd"> '''</span> 2206 2330 <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">parent</span><span class="p">,</span><span class="n">title</span><span class="p">,</span><span class="n">parmDict</span><span class="p">):</span> 2207 2331 <span class="n">wx</span><span class="o">.</span><span class="n">Dialog</span><span class="o">.</span><span class="n">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">parent</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">title</span><span class="p">,</span><span class="n">size</span><span class="o">=</span><span class="p">(</span><span class="mi">300</span><span class="p">,</span><span class="mi">430</span><span class="p">),</span> … … 2224 2348 </div> 2225 2349 <div class="viewcode-block" id="GSASII.OnViewLSParms"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnViewLSParms">[docs]</a> <span class="k">def</span> <span class="nf">OnViewLSParms</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span> 2350 <span class="sd">'''Displays a window showing all parameters in the refinement.</span> 2351 <span class="sd"> Called from the Calculate/View LS Parms menu.</span> 2352 <span class="sd"> '''</span> 2226 2353 <span class="n">parmDict</span> <span class="o">=</span> <span class="p">{}</span> 2227 2354 <span class="n">Histograms</span><span class="p">,</span><span class="n">Phases</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">GetUsedHistogramsAndPhasesfromTree</span><span class="p">()</span> … … 2257 2384 </div> 2258 2385 <div class="viewcode-block" id="GSASII.OnRefine"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnRefine">[docs]</a> <span class="k">def</span> <span class="nf">OnRefine</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span> 2386 <span class="sd">'''Perform a refinement.</span> 2387 <span class="sd"> Called from the Calculate/Refine menu.</span> 2388 <span class="sd"> '''</span> 2259 2389 <span class="bp">self</span><span class="o">.</span><span class="n">OnFileSave</span><span class="p">(</span><span class="n">event</span><span class="p">)</span> 2260 2390 <span class="c"># check that constraints are OK here</span> … … 2322 2452 </div> 2323 2453 <div class="viewcode-block" id="GSASII.OnSeqRefine"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.OnSeqRefine">[docs]</a> <span class="k">def</span> <span class="nf">OnSeqRefine</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span> 2454 <span class="sd">'''Perform a sequential refinement.</span> 2455 <span class="sd"> Called from the Calculate/Sequential refine menu.</span> 2456 <span class="sd"> '''</span> 2324 2457 <span class="n">Id</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="bp">self</span><span class="o">.</span><span class="n">root</span><span class="p">,</span><span class="s">'Sequental results'</span><span class="p">)</span> 2325 2458 <span class="k">if</span> <span class="ow">not</span> <span class="n">Id</span><span class="p">:</span> … … 2375 2508 </div> 2376 2509 <div class="viewcode-block" id="GSASII.ErrorDialog"><a class="viewcode-back" href="../GSASII.html#GSASII.GSASII.ErrorDialog">[docs]</a> <span class="k">def</span> <span class="nf">ErrorDialog</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">title</span><span class="p">,</span><span class="n">message</span><span class="p">,</span><span class="n">parent</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span> <span class="n">wtype</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">OK</span><span class="p">):</span> 2510 <span class="s">'Display an error message'</span> 2377 2511 <span class="n">result</span> <span class="o">=</span> <span class="bp">None</span> 2378 2512 <span class="k">if</span> <span class="n">parent</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span> -
trunk/sphinxdocs/build/html/_modules/GSASIImapvars.html
r907 r911 52 52 <span class="c"># -*- coding: utf-8 -*-</span> 53 53 <span class="c">########### SVN repository information ###################</span> 54 <span class="c"># $Date: 201 2-09-23 16:57:51 -0500 (Sun, 23 Sep 2012) $</span>54 <span class="c"># $Date: 2013-05-13 15:18:21 -0500 (Mon, 13 May 2013) $</span> 55 55 <span class="c"># $Author: toby $</span> 56 <span class="c"># $Revision: 762$</span>56 <span class="c"># $Revision: 903 $</span> 57 57 <span class="c"># $URL: https://subversion.xor.aps.anl.gov/pyGSAS/trunk/GSASIImapvars.py $</span> 58 <span class="c"># $Id: GSASIImapvars.py 762 2012-09-23 21:57:51Z toby $</span>58 <span class="c"># $Id: GSASIImapvars.py 903 2013-05-13 20:18:21Z toby $</span> 59 59 <span class="c">########### SVN repository information ###################</span> 60 60 <span class="sd">"""</span> 61 <span class="sd">* Module GSASIImapvars: Specify and apply parameter constraints*</span>62 <span class="sd">====================================== =========================</span>63 64 <span class="sd"> Implements algebraic contraints, parameter redefinition</span>61 <span class="sd">*GSASIImapvars: Parameter constraints*</span> 62 <span class="sd">======================================</span> 63 64 <span class="sd">Module to implements algebraic contraints, parameter redefinition</span> 65 65 <span class="sd">and parameter simplification contraints.</span> 66 66 … … 150 150 151 151 <span class="sd">To define a set of constrained and unconstrained relations, one</span> 152 <span class="sd">calls InitVars, GroupConstraints and GenerateConstraints. It</span> 153 <span class="sd">is best to supply all relations/equations in one call to these</span> 154 <span class="sd">routines so that grouping is done correctly.</span> 155 156 <span class="sd"> To implement parameter redefinition, one calls</span> 157 <span class="sd"> StoreEquivalence. This should be called for every set of</span> 158 <span class="sd"> equivalence relationships. There is no harm in using</span> 159 <span class="sd"> StoreEquivalence with the same independent variable:</span> 152 <span class="sd">defines a list of dictionary defining constraint parameters and their</span> 153 <span class="sd">values, a list of fixed values for each constraint and a list of</span> 154 <span class="sd">parameters to be varied. In addition, one uses</span> 155 <span class="sd">:func:`StoreEquivalence` to define parameters that are equivalent. One</span> 156 <span class="sd">can then use :func:`CheckConstraints` to check that the input is</span> 157 <span class="sd">internally consistent and finally :func:`GroupConstraints` and</span> 158 <span class="sd">:func:`GenerateConstraints` to generate the internally used</span> 159 <span class="sd">tables. Routines :func:`Map2Dict` is used to initialize the parameter</span> 160 <span class="sd">dictionary and :func:`Dict2Map`, :func:`Dict2Deriv`, and</span> 161 <span class="sd">:func:`ComputeDepESD` are used to apply constraints. Routine</span> 162 <span class="sd">:func:`VarRemapShow` is used to print out the constraint information,</span> 163 <span class="sd">as stored by :func:`GenerateConstraints`.</span> 164 165 <span class="sd">:func:`InitVars`</span> 166 <span class="sd"> This is optionally used to clear out all defined previously defined constraint information</span> 167 <span class="sd"> </span> 168 <span class="sd">:func:`StoreEquivalence`</span> 169 <span class="sd"> To implement parameter redefinition, one calls StoreEquivalence. This should be called for every set of</span> 170 <span class="sd"> equivalence relationships. There is no harm in using StoreEquivalence with the same independent variable:</span> 171 172 <span class="sd"> .. code-block:: python</span> 173 160 174 <span class="sd"> StoreEquivalence('x',('y',))</span> 161 175 <span class="sd"> StoreEquivalence('x',('z',))</span> 162 <span class="sd"> (though StoreEquivalence('x',('y','z')) will run more</span> 163 <span class="sd"> efficiently) but mixing independent and dependent variables is</span> 164 <span class="sd"> problematic. This is not allowed:</span> 176 177 <span class="sd"> or equivalently </span> 178 179 <span class="sd"> .. code-block:: python</span> 180 181 <span class="sd"> StoreEquivalence('x',('y','z'))</span> 182 183 <span class="sd"> The latter will run more efficiently. Note that mixing independent and dependent variables is</span> 184 <span class="sd"> problematic. This is not allowed:</span> 185 186 <span class="sd"> .. code-block:: python</span> 187 165 188 <span class="sd"> StoreEquivalence('x',('y',))</span> 166 189 <span class="sd"> StoreEquivalence('y',('z',))</span> 167 <span class="sd"> Use StoreEquivalence before calling GenerateConstraints or</span> 168 <span class="sd"> CheckConstraints</span> 169 190 <span class="sd"> </span> 191 <span class="sd"> Use StoreEquivalence before calling GenerateConstraints or CheckConstraints</span> 192 193 <span class="sd">:func:`CheckConstraints`</span> 170 194 <span class="sd"> To check that input in internally consistent, use CheckConstraints</span> 171 195 172 <span class="sd"> To show a summary of the parameter remapping, one calls</span> 173 <span class="sd"> VarRemapShow</span> 174 196 <span class="sd">:func:`Map2Dict`</span> 175 197 <span class="sd"> To determine values for the parameters created in this module, one</span> 176 <span class="sd"> calls Map2Dict. This will not apply contraints.</span> 177 198 <span class="sd"> calls Map2Dict. This will not apply contraints.</span> 199 200 <span class="sd">:func:`Dict2Map`</span> 178 201 <span class="sd"> To take values from the new independent parameters and constraints,</span> 179 <span class="sd"> one calls Dict2Map. This will apply contraints.</span> 180 202 <span class="sd"> one calls Dict2Map. This will apply contraints.</span> 203 204 <span class="sd">:func:`Dict2Deriv`</span> 181 205 <span class="sd"> Use Dict2Deriv to determine derivatives on independent parameters</span> 182 <span class="sd"> from those on dependent ones</span> 183 <span class="sd"> </span> 206 <span class="sd"> from those on dependent ones</span> 207 208 <span class="sd">:func:`ComputeDepESD` </span> 184 209 <span class="sd"> Use ComputeDepESD to compute uncertainties on dependent variables</span> 210 211 <span class="sd">:func:`VarRemapShow`</span> 212 <span class="sd"> To show a summary of the parameter remapping, one calls VarRemapShow</span> 185 213 186 214 <span class="sd">*Global Variables*</span> 187 215 <span class="sd">------------------</span> 188 216 189 <span class="sd"> dependentParmList: contains a list by group of lists of</span> 190 <span class="sd"> parameters used in the group. Note that parameters listed in</span> 191 <span class="sd"> dependentParmList should not be refined as they will not affect</span> 192 <span class="sd"> the model</span> 193 194 <span class="sd"> indParmList: a list of groups of Independent parameters defined in</span> 217 <span class="sd">dependentParmList:</span> 218 <span class="sd"> contains a list by group of lists of</span> 219 <span class="sd"> parameters used in the group. Note that parameters listed in</span> 220 <span class="sd"> dependentParmList should not be refined as they will not affect</span> 221 <span class="sd"> the model</span> 222 223 <span class="sd">indParmList:</span> 224 <span class="sd"> a list of groups of Independent parameters defined in</span> 195 225 <span class="sd"> each group. This contains both parameters used in parameter</span> 196 226 <span class="sd"> redefinitions as well as names of generated new parameters.</span> 197 227 198 <span class="sd"> fixedVarList: a list of variables that have been 'fixed'</span> 228 <span class="sd">fixedVarList:</span> 229 <span class="sd"> a list of variables that have been 'fixed'</span> 199 230 <span class="sd"> by defining them as equal to a constant (::var: = 0). Note that</span> 200 231 <span class="sd"> the constant value is ignored at present. These variables are</span> 201 232 <span class="sd"> later removed from varyList which prevents them from being refined. </span> 202 233 <span class="sd"> Unlikely to be used externally.</span> 203 <span class="sd"> arrayList: a list by group of relationship matrices to relate</span> 234 235 <span class="sd">arrayList:</span> 236 <span class="sd"> a list by group of relationship matrices to relate</span> 204 237 <span class="sd"> parameters in dependentParmList to those in indParmList. Unlikely</span> 205 238 <span class="sd"> to be used externally.</span> 206 <span class="sd"> invarrayList: a list by group of relationship matrices to relate</span> 239 240 <span class="sd">invarrayList:</span> 241 <span class="sd"> a list by group of relationship matrices to relate</span> 207 242 <span class="sd"> parameters in indParmList to those in dependentParmList. Unlikely</span> 208 243 <span class="sd"> to be used externally.</span> 209 <span class="sd"> fixedDict: a dictionary containing the fixed values corresponding</span> 244 245 <span class="sd">fixedDict:</span> 246 <span class="sd"> a dictionary containing the fixed values corresponding</span> 210 247 <span class="sd"> to parameter equations. The dict key is an ascii string, but the</span> 211 248 <span class="sd"> dict value is a float. Unlikely to be used externally.</span> 249 250 <span class="sd">*Routines*</span> 251 <span class="sd">----------</span> 252 253 <span class="sd">Note that parameter names in GSAS-II are strings of form ``<ph>:<hst>:<nam>``</span> 254 212 255 <span class="sd">"""</span> 213 256 … … 243 286 <div class="viewcode-block" id="GroupConstraints"><a class="viewcode-back" href="../GSASIImapvars.html#GSASIImapvars.GroupConstraints">[docs]</a><span class="k">def</span> <span class="nf">GroupConstraints</span><span class="p">(</span><span class="n">constrDict</span><span class="p">):</span> 244 287 <span class="sd">"""divide the constraints into groups that share no parameters.</span> 245 <span class="sd"> Input</span> 246 <span class="sd"> constrDict: a list of dicts defining relationships/constraints</span> 288 289 <span class="sd"> :param dict constrDict: a list of dicts defining relationships/constraints</span> 290 291 <span class="sd"> ::</span> 292 <span class="sd"> </span> 247 293 <span class="sd"> constrDict = [{<constr1>}, {<constr2>}, ...]</span> 248 <span class="sd"> where {<constr1>} is {'param1': mult1, 'param2': mult2,...}</span> 249 <span class="sd"> Returns two lists of lists:</span> 250 <span class="sd"> a list of relationship list indices for each group pointing to</span> 251 <span class="sd"> elements in constrDict and</span> 252 <span class="sd"> a list containing the parameters used in each group</span> 294 295 <span class="sd"> where {<constr1>} is {'param1': mult1, 'param2': mult2,...}</span> 296 297 <span class="sd"> :returns: two lists of lists:</span> 298 <span class="sd"> </span> 299 <span class="sd"> * a list of grouped contraints where each constraint grouped containts a list of indices for constraint constrDict entries</span> 300 <span class="sd"> * a list containing lists of parameter names contained in each group</span> 301 <span class="sd"> </span> 253 302 <span class="sd"> """</span> 254 303 <span class="n">assignedlist</span> <span class="o">=</span> <span class="p">[]</span> <span class="c"># relationships that have been used</span> … … 281 330 <span class="sd"> constraints and checks for inconsistencies such as conflicts in</span> 282 331 <span class="sd"> parameter/variable definitions and or inconsistently varied parameters.</span> 283 <span class="sd"> Input: see GenerateConstraints</span> 284 <span class="sd"> Output: returns two strings</span> 285 <span class="sd"> the first lists conflicts internal to the specified constraints</span> 286 <span class="sd"> the second lists conflicts where the varyList specifies some</span> 332 333 <span class="sd"> :param list varyList: a list of parameters names that will be varied</span> 334 335 <span class="sd"> :param dict constrDict: a list of dicts defining relationships/constraints (as defined in :func:`GroupConstraints`)</span> 336 337 <span class="sd"> :param list fixedList: a list of values specifying a fixed value for each dict in constrDict. Values are</span> 338 <span class="sd"> either strings that can be converted to floats or None if the constraint defines a new parameter rather</span> 339 <span class="sd"> than a constant.</span> 340 341 <span class="sd"> :returns: two strings: </span> 342 343 <span class="sd"> * the first lists conflicts internal to the specified constraints</span> 344 <span class="sd"> * the second lists conflicts where the varyList specifies some</span> 287 345 <span class="sd"> parameters in a constraint, but not all</span> 346 <span class="sd"> </span> 288 347 <span class="sd"> If there are no errors, both strings will be empty</span> 289 348 <span class="sd"> '''</span> … … 387 446 <span class="k">if</span> <span class="n">var</span> <span class="ow">in</span> <span class="n">fixVlist</span><span class="p">:</span> 388 447 <span class="n">errmsg</span> <span class="o">+=</span> <span class="s">'</span><span class="se">\n</span><span class="s">Parameter '</span><span class="o">+</span><span class="n">var</span><span class="o">+</span><span class="s">" is Fixed and used in a constraint:</span><span class="se">\n\t</span><span class="s">"</span> 389 <span class="n">errmsg</span> <span class="o">+=</span> <span class="n"> FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span><span class="o">+</span><span class="s">"</span><span class="se">\n</span><span class="s">"</span>448 <span class="n">errmsg</span> <span class="o">+=</span> <span class="n">_FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span><span class="o">+</span><span class="s">"</span><span class="se">\n</span><span class="s">"</span> 390 449 <span class="k">if</span> <span class="n">varied</span> <span class="o">></span> <span class="mi">0</span> <span class="ow">and</span> <span class="n">varied</span> <span class="o">!=</span> <span class="nb">len</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">]):</span> 391 450 <span class="n">warnmsg</span> <span class="o">+=</span> <span class="s">"</span><span class="se">\n</span><span class="s">Not all variables refined in constraint:</span><span class="se">\n\t</span><span class="s">"</span> 392 <span class="n">warnmsg</span> <span class="o">+=</span> <span class="n"> FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span>451 <span class="n">warnmsg</span> <span class="o">+=</span> <span class="n">_FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span> 393 452 <span class="n">warnmsg</span> <span class="o">+=</span> <span class="s">'</span><span class="se">\n</span><span class="s">Not refined: '</span> <span class="o">+</span> <span class="n">notvaried</span> <span class="o">+</span> <span class="s">'</span><span class="se">\n</span><span class="s">'</span> 394 453 <span class="k">if</span> <span class="n">errmsg</span> <span class="ow">or</span> <span class="n">warnmsg</span><span class="p">:</span> … … 404 463 <span class="n">errmsg</span> <span class="o">+=</span> <span class="s">"</span><span class="se">\n\t</span><span class="s">than variables "</span> <span class="o">+</span> <span class="nb">str</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">varlist</span><span class="p">))</span> <span class="o">+</span> <span class="s">"</span><span class="se">\n</span><span class="s">"</span> 405 464 <span class="k">for</span> <span class="n">rel</span> <span class="ow">in</span> <span class="n">group</span><span class="p">:</span> 406 <span class="n">errmsg</span> <span class="o">+=</span> <span class="n"> FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span>465 <span class="n">errmsg</span> <span class="o">+=</span> <span class="n">_FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span> 407 466 <span class="n">errmsg</span> <span class="o">+=</span> <span class="s">"</span><span class="se">\n</span><span class="s">"</span> 408 467 <span class="k">continue</span> 409 468 <span class="k">try</span><span class="p">:</span> 410 <span class="n">multarr</span> <span class="o">=</span> <span class="n"> FillArray</span><span class="p">(</span><span class="n">group</span><span class="p">,</span><span class="n">constrDict</span><span class="p">,</span><span class="n">varlist</span><span class="p">)</span>411 <span class="n"> RowEchelon</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">group</span><span class="p">),</span><span class="n">multarr</span><span class="p">,</span><span class="n">varlist</span><span class="p">)</span>469 <span class="n">multarr</span> <span class="o">=</span> <span class="n">_FillArray</span><span class="p">(</span><span class="n">group</span><span class="p">,</span><span class="n">constrDict</span><span class="p">,</span><span class="n">varlist</span><span class="p">)</span> 470 <span class="n">_RowEchelon</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">group</span><span class="p">),</span><span class="n">multarr</span><span class="p">,</span><span class="n">varlist</span><span class="p">)</span> 412 471 <span class="k">except</span><span class="p">:</span> 413 472 <span class="n">errmsg</span> <span class="o">+=</span> <span class="s">"</span><span class="se">\n</span><span class="s">Singular input. "</span> 414 473 <span class="n">errmsg</span> <span class="o">+=</span> <span class="s">"There are internal inconsistencies in these constraints</span><span class="se">\n</span><span class="s">"</span> 415 474 <span class="k">for</span> <span class="n">rel</span> <span class="ow">in</span> <span class="n">group</span><span class="p">:</span> 416 <span class="n">errmsg</span> <span class="o">+=</span> <span class="n"> FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span>475 <span class="n">errmsg</span> <span class="o">+=</span> <span class="n">_FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span> 417 476 <span class="n">errmsg</span> <span class="o">+=</span> <span class="s">"</span><span class="se">\n</span><span class="s">"</span> 418 477 <span class="k">continue</span> 419 478 <span class="k">try</span><span class="p">:</span> 420 <span class="n">multarr</span> <span class="o">=</span> <span class="n"> FillArray</span><span class="p">(</span><span class="n">group</span><span class="p">,</span><span class="n">constrDict</span><span class="p">,</span><span class="n">varlist</span><span class="p">,</span><span class="n">FillDiagonals</span><span class="o">=</span><span class="bp">True</span><span class="p">)</span>479 <span class="n">multarr</span> <span class="o">=</span> <span class="n">_FillArray</span><span class="p">(</span><span class="n">group</span><span class="p">,</span><span class="n">constrDict</span><span class="p">,</span><span class="n">varlist</span><span class="p">,</span><span class="n">FillDiagonals</span><span class="o">=</span><span class="bp">True</span><span class="p">)</span> 421 480 <span class="n">GramSchmidtOrtho</span><span class="p">(</span><span class="n">multarr</span><span class="p">,</span><span class="nb">len</span><span class="p">(</span><span class="n">group</span><span class="p">))</span> 422 481 <span class="k">except</span><span class="p">:</span> 423 482 <span class="n">errmsg</span> <span class="o">+=</span> <span class="s">"</span><span class="se">\n</span><span class="s">Unexpected singularity with constraints (in Gram-Schmidt)</span><span class="se">\n</span><span class="s">"</span> 424 483 <span class="k">for</span> <span class="n">rel</span> <span class="ow">in</span> <span class="n">group</span><span class="p">:</span> 425 <span class="n">errmsg</span> <span class="o">+=</span> <span class="n"> FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span>484 <span class="n">errmsg</span> <span class="o">+=</span> <span class="n">_FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span> 426 485 <span class="n">errmsg</span> <span class="o">+=</span> <span class="s">"</span><span class="se">\n</span><span class="s">"</span> 427 486 <span class="k">continue</span> … … 459 518 <span class="n">warnmsg</span> <span class="o">+=</span> <span class="s">'</span><span class="se">\n</span><span class="s">Please report this unexpected error</span><span class="se">\n</span><span class="s">'</span> 460 519 <span class="k">for</span> <span class="n">rel</span> <span class="ow">in</span> <span class="n">group</span><span class="p">:</span> 461 <span class="n">warnmsg</span> <span class="o">+=</span> <span class="n"> FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span>520 <span class="n">warnmsg</span> <span class="o">+=</span> <span class="n">_FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span> 462 521 <span class="n">warnmsg</span> <span class="o">+=</span> <span class="s">"</span><span class="se">\n</span><span class="s">"</span> 463 522 <span class="n">warnmsg</span> <span class="o">+=</span> <span class="s">'</span><span class="se">\n\t</span><span class="s">Not refined: '</span> <span class="o">+</span> <span class="n">notvaried</span> <span class="o">+</span> <span class="s">'</span><span class="se">\n</span><span class="s">'</span> … … 471 530 <span class="n">errmsg</span> <span class="o">+=</span> <span class="s">'Please report this unexpected error</span><span class="se">\n</span><span class="s">'</span> 472 531 <span class="k">for</span> <span class="n">rel</span> <span class="ow">in</span> <span class="n">group</span><span class="p">:</span> 473 <span class="n">errmsg</span> <span class="o">+=</span> <span class="n"> FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span>532 <span class="n">errmsg</span> <span class="o">+=</span> <span class="n">_FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span> 474 533 <span class="n">errmsg</span> <span class="o">+=</span> <span class="s">"</span><span class="se">\n</span><span class="s">"</span> 475 534 <span class="k">return</span> <span class="n">errmsg</span><span class="p">,</span><span class="n">warnmsg</span> … … 480 539 <span class="sd"> and stores them in global variables Also checks for internal</span> 481 540 <span class="sd"> conflicts or inconsistencies in parameter/variable definitions.</span> 482 <span class="sd"> Input:</span> 483 <span class="sd"> groups,parmlist: see GroupConstraints</span> 484 <span class="sd"> varyList: a list of parameters that will be varied</span> 485 <span class="sd"> constrDict: a list of dicts defining relationships/constraints</span> 486 <span class="sd"> constrDict = [{<constr1>}, {<constr2>}, ...]</span> 487 <span class="sd"> where {<constr1>} is {'param1': mult1, 'param2': mult2,...}</span> 488 <span class="sd"> fixedList: a list of values for each constraint/variable in</span> 489 <span class="sd"> constrDict, value is either a float (contraint) or None (for</span> 490 <span class="sd"> a new variable).</span> 541 542 <span class="sd"> :param list groups: a list of grouped contraints where each constraint grouped containts a list of</span> 543 <span class="sd"> indices for constraint constrDict entries, created in :func:`GroupConstraints` (returned as 1st value)</span> 544 545 <span class="sd"> :param list parmlist: a list containing lists of parameter names contained in each group,</span> 546 <span class="sd"> created in :func:`GroupConstraints` (returned as 1st value)</span> 547 548 <span class="sd"> :param list varyList: a list of parameters names (strings of form ``<ph>:<hst>:<nam>``) that will be varied</span> 549 <span class="sd"> </span> 550 <span class="sd"> :param dict constrDict: a list of dicts defining relationships/constraints (as defined in :func:`GroupConstraints`)</span> 551 552 <span class="sd"> :param list fixedList: a list of values specifying a fixed value for each dict in constrDict. Values are</span> 553 <span class="sd"> either strings that can be converted to floats, float values or None if the constraint defines a new</span> 554 <span class="sd"> parameter</span> 555 <span class="sd"> </span> 556 <span class="sd"> :param dict constrDict: a list of dicts defining relationships/constraints</span> 557 491 558 <span class="sd"> '''</span> 492 559 <span class="k">global</span> <span class="n">dependentParmList</span><span class="p">,</span><span class="n">arrayList</span><span class="p">,</span><span class="n">invarrayList</span><span class="p">,</span><span class="n">indParmList</span><span class="p">,</span><span class="n">consNum</span> … … 597 664 <span class="k">if</span> <span class="n">var</span> <span class="ow">in</span> <span class="n">fixedVarList</span><span class="p">:</span> 598 665 <span class="n">msg</span> <span class="o">+=</span> <span class="s">'</span><span class="se">\n</span><span class="s">Error: parameter '</span><span class="o">+</span><span class="n">var</span><span class="o">+</span><span class="s">" is Fixed and used in a constraint:</span><span class="se">\n\t</span><span class="s">"</span> 599 <span class="n">msg</span> <span class="o">+=</span> <span class="n"> FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span><span class="o">+</span><span class="s">"</span><span class="se">\n</span><span class="s">"</span>666 <span class="n">msg</span> <span class="o">+=</span> <span class="n">_FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span><span class="o">+</span><span class="s">"</span><span class="se">\n</span><span class="s">"</span> 600 667 <span class="c"># if var in equivVarList:</span> 601 668 <span class="c"># msg += '\nError: parameter '+var+" is Equivalenced and used in a constraint:\n\t"</span> 602 <span class="c"># msg += FormatConstraint(constrDict[rel],fixedList[rel])+"\n"</span>669 <span class="c"># msg += _FormatConstraint(constrDict[rel],fixedList[rel])+"\n"</span> 603 670 <span class="k">if</span> <span class="n">varied</span> <span class="o">></span> <span class="mi">0</span> <span class="ow">and</span> <span class="n">varied</span> <span class="o">!=</span> <span class="nb">len</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">]):</span> 604 671 <span class="n">msg</span> <span class="o">+=</span> <span class="s">"</span><span class="se">\n</span><span class="s">Not all variables refined in constraint:</span><span class="se">\n\t</span><span class="s">"</span> 605 <span class="n">msg</span> <span class="o">+=</span> <span class="n"> FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span>672 <span class="n">msg</span> <span class="o">+=</span> <span class="n">_FormatConstraint</span><span class="p">(</span><span class="n">constrDict</span><span class="p">[</span><span class="n">rel</span><span class="p">],</span><span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">])</span> 606 673 <span class="n">msg</span> <span class="o">+=</span> <span class="s">'</span><span class="se">\n</span><span class="s">Not refined: '</span> <span class="o">+</span> <span class="n">notvaried</span> <span class="o">+</span> <span class="s">'</span><span class="se">\n</span><span class="s">'</span> 607 674 <span class="k">if</span> <span class="n">fixedList</span><span class="p">[</span><span class="n">rel</span><span class="p">]</span> <span class="ow">is</span> <span class="ow">not</span> <span class="bp">None</span> <span class="ow">and</span> <span class="n">varied</span> <span class="o">></span> <span class="mi">0</span><span class="p">:</span> … … 620 687 <span class="n">msg</span> <span class="o">=</span> <span class="s">'too many relationships'</span> 621 688 <span class="k">try</span><span class="p">:</span> 622 <span class="n">arr</span> <span class="o">=</span> <span class="n"> FillArray</span><span class="p">(</span><span class="n">group</span><span class="p">,</span><span class="n">constrDict</span><span class="p">,</span><span class="n">varlist</span><span class="p">)</span>623 <span class="n"> RowEchelon</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">group</span><span class="p">),</span><span class="n">arr</span><span class="p">,</span><span class="n">varlist</span><span class="p">)</span>624 <span class="n">constrArr</span> <span class="o">=</span> <span class="n"> FillArray</span><span class="p">(</span><span class="n">group</span><span class="p">,</span><span class="n">constrDict</span><span class="p">,</span><span class="n">varlist</span><span class="p">,</span><span class="n">FillDiagonals</span><span class="o">=</span><span class="bp">True</span><span class="p">)</span>689 <span class="n">arr</span> <span class="o">=</span> <span class="n">_FillArray</span><span class="p">(</span><span class="n">group</span><span class="p">,</span><span class="n">constrDict</span><span class="p">,</span><span class="n">varlist</span><span class="p">)</span> 690 <span class="n">_RowEchelon</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">group</span><span class="p">),</span><span class="n">arr</span><span class="p">,</span><span class="n">varlist</span><span class="p">)</span> 691 <span class="n">constrArr</span> <span class="o">=</span> <span class="n">_FillArray</span><span class="p">(</span><span class="n">group</span><span class="p">,</span><span class="n">constrDict</span><span class="p">,</span><span class="n">varlist</span><span class="p">,</span><span class="n">FillDiagonals</span><span class="o">=</span><span class="bp">True</span><span class="p">)</span> 625 692 <span class="n">GramSchmidtOrtho</span><span class="p">(</span><span class="n">constrArr</span><span class="p">,</span><span class="nb">len</span><span class="p">(</span><span class="n">group</span><span class="p">))</span> 626 693 <span class="k">except</span><span class="p">:</span> … … 693 760 <span class="sd">'''Takes a list of dependent parameter(s) and stores their</span> 694 761 <span class="sd"> relationship to a single independent parameter (independentVar)</span> 695 <span class="sd"> input:</span> 696 <span class="sd"> independentVar -- name of parameter that will set others (may</span> 697 <span class="sd"> be varied)</span> 698 <span class="sd"> dependentList -- list of parameter that will set from</span> 699 <span class="sd"> independentVar (may not be varied). Each item can be a parameter</span> 762 763 <span class="sd"> :param str independentVar: name of master parameter that will be used to determine the value</span> 764 <span class="sd"> to set the dependent variables</span> 765 766 <span class="sd"> :param list dependentList: a list of parameters that will set from</span> 767 <span class="sd"> independentVar. Each item in the list can be a string with the parameter</span> 700 768 <span class="sd"> name or a tuple containing a name and multiplier:</span> 701 <span class="sd"> ('parm1',('parm2',.5),)</span> 769 <span class="sd"> ``['parm1',('parm2',.5),]``</span> 770 702 771 <span class="sd"> '''</span> 703 772 … … 723 792 <div class="viewcode-block" id="GetDependentVars"><a class="viewcode-back" href="../GSASIImapvars.html#GSASIImapvars.GetDependentVars">[docs]</a><span class="k">def</span> <span class="nf">GetDependentVars</span><span class="p">():</span> 724 793 <span class="sd">'''Return a list of dependent variables: e.g. variables that are</span> 725 <span class="sd"> constrained in terms of other variables'''</span> 794 <span class="sd"> constrained in terms of other variables</span> 795 796 <span class="sd"> :returns: a list of variable names</span> 797 798 <span class="sd"> '''</span> 726 799 <span class="n">dependentVars</span> <span class="o">=</span> <span class="p">[]</span> 727 800 <span class="k">global</span> <span class="n">dependentParmList</span> … … 732 805 <div class="viewcode-block" id="GetIndependentVars"><a class="viewcode-back" href="../GSASIImapvars.html#GSASIImapvars.GetIndependentVars">[docs]</a><span class="k">def</span> <span class="nf">GetIndependentVars</span><span class="p">():</span> 733 806 <span class="sd">'''Return a list of independent variables: e.g. variables that are</span> 734 <span class="sd"> created by constraints of other variables'''</span> 807 <span class="sd"> created by constraints of other variables</span> 808 809 <span class="sd"> :returns: a list of variable names</span> 810 811 <span class="sd"> '''</span> 735 812 <span class="n">independentVars</span> <span class="o">=</span> <span class="p">[]</span> 736 813 <span class="k">global</span> <span class="n">indParmList</span><span class="p">,</span><span class="n">fixedDict</span> … … 797 874 <span class="k">return</span> <span class="n">sigmaDict</span> 798 875 </div> 799 < div class="viewcode-block" id="FormatConstraint"><a class="viewcode-back" href="../GSASIImapvars.html#GSASIImapvars.FormatConstraint">[docs]</a><span class="k">def</span> <span class="nf">FormatConstraint</span><span class="p">(</span><span class="n">RelDict</span><span class="p">,</span><span class="n">RelVal</span><span class="p">):</span>876 <span class="k">def</span> <span class="nf">_FormatConstraint</span><span class="p">(</span><span class="n">RelDict</span><span class="p">,</span><span class="n">RelVal</span><span class="p">):</span> 800 877 <span class="sd">'''Formats a Constraint or Function for use in a convenient way'''</span> 801 878 <span class="n">linelen</span> <span class="o">=</span> <span class="mi">45</span> … … 820 897 <span class="n">s1</span> <span class="o">+=</span> <span class="n">s2</span> 821 898 <span class="k">return</span> <span class="n">s1</span> 822 </div> 899 823 900 <div class="viewcode-block" id="VarRemapShow"><a class="viewcode-back" href="../GSASIImapvars.html#GSASIImapvars.VarRemapShow">[docs]</a><span class="k">def</span> <span class="nf">VarRemapShow</span><span class="p">(</span><span class="n">varyList</span><span class="p">):</span> 824 <span class="sd">'''List out the saved relationships.</span> 825 <span class="sd"> Returns a string containing the details.</span> 901 <span class="sd">'''List out the saved relationships. This should be done after the constraints have been</span> 902 <span class="sd"> defined using :func:`StoreEquivalence`, :func:`GroupConstraints` and :func:`GenerateConstraints`.</span> 903 904 <span class="sd"> :returns: a string containing the details of the contraint relationships</span> 826 905 <span class="sd"> '''</span> 827 906 <span class="n">s</span> <span class="o">=</span> <span class="s">''</span> … … 872 951 <span class="sd">'''Compute derivatives for Independent Parameters from the</span> 873 952 <span class="sd"> derivatives for the original parameters</span> 953 954 <span class="sd"> :param list varyList: a list of parameters names that will be varied</span> 955 956 <span class="sd"> :param dict derivDict: a dict containing derivatives for parameter values keyed by the</span> 957 <span class="sd"> parameter names.</span> 958 959 <span class="sd"> :param dict dMdv: a dict containing derivatives for dependent parameter computed from</span> 960 <span class="sd"> derivDict</span> 961 874 962 <span class="sd"> '''</span> 875 963 <span class="k">global</span> <span class="n">dependentParmList</span><span class="p">,</span><span class="n">arrayList</span><span class="p">,</span><span class="n">invarrayList</span><span class="p">,</span><span class="n">indParmList</span><span class="p">,</span><span class="n">invarrayList</span> … … 896 984 <span class="sd"> Removes dependent variables from the varyList</span> 897 985 898 <span class="sd"> This should be done once, before any variable refinement is done</span> 899 <span class="sd"> to complete the parameter dictionary with the Independent Parameters</span> 986 <span class="sd"> This should be done once, after the constraints have been</span> 987 <span class="sd"> defined using :func:`StoreEquivalence`,</span> 988 <span class="sd"> :func:`GroupConstraints` and :func:`GenerateConstraints` and</span> 989 <span class="sd"> before any variable refinement is done</span> 990 <span class="sd"> to complete the parameter dictionary by defining independent</span> 991 <span class="sd"> parameters and satisfying the constraint equations. </span> 992 993 <span class="sd"> :param dict parmDict: a dict containing parameter values keyed by the</span> 994 <span class="sd"> parameter names.</span> 995 <span class="sd"> This will contain updated values for both dependent and independent</span> 996 <span class="sd"> parameters after Dict2Map is called. It will also contain some</span> 997 <span class="sd"> unexpected entries of every constant value {'0':0.0} & {'1.0':1.0},</span> 998 <span class="sd"> which do not cause any problems. </span> 999 1000 <span class="sd"> :param list varyList: a list of parameters names that will be varied</span> 1001 <span class="sd"> </span> 1002 900 1003 <span class="sd"> '''</span> 901 1004 <span class="c"># process the Independent vars: remove dependent ones from varylist</span> … … 924 1027 </div> 925 1028 <div class="viewcode-block" id="Dict2Map"><a class="viewcode-back" href="../GSASIImapvars.html#GSASIImapvars.Dict2Map">[docs]</a><span class="k">def</span> <span class="nf">Dict2Map</span><span class="p">(</span><span class="n">parmDict</span><span class="p">,</span><span class="n">varyList</span><span class="p">):</span> 926 <span class="sd">'''Convert the remapped values back to the original parameters</span> 1029 <span class="sd">'''Applies the constraints defined using :func:`StoreEquivalence`,</span> 1030 <span class="sd"> :func:`GroupConstraints` and :func:`GenerateConstraints` by changing</span> 1031 <span class="sd"> values in a dict containing the parameters. This should be</span> 1032 <span class="sd"> done before the parameters are used for any computations</span> 1033 1034 <span class="sd"> :param dict parmDict: a dict containing parameter values keyed by the</span> 1035 <span class="sd"> parameter names.</span> 1036 <span class="sd"> This will contain updated values for both dependent and independent</span> 1037 <span class="sd"> parameters after Dict2Map is called. It will also contain some</span> 1038 <span class="sd"> unexpected entries of every constant value {'0':0.0} & {'1.0':1.0},</span> 1039 <span class="sd"> which do not cause any problems. </span> 1040 1041 <span class="sd"> :param list varyList: a list of parameters names that will be varied</span> 927 1042 <span class="sd"> </span> 928 <span class="sd"> This should be done to apply constraints to parameter values (use</span> 929 <span class="sd"> Map2Dict once first). It should be done as part of the Model function</span> 930 <span class="sd"> evaluation, before any computation is done</span> 931 <span class="sd"> '''</span> 932 <span class="c">#I think this needs fixing to update parmDict with new values </span> 933 <span class="c"># from the constraints based on what is in varyList - RVD. Don't think so -- BHT</span> 1043 <span class="sd"> '''</span> 934 1044 <span class="k">global</span> <span class="n">dependentParmList</span><span class="p">,</span><span class="n">arrayList</span><span class="p">,</span><span class="n">invarrayList</span><span class="p">,</span><span class="n">indParmList</span><span class="p">,</span><span class="n">fixedDict</span> 935 1045 <span class="c"># reset fixed values (should not be needed, but very quick) </span> … … 970 1080 <span class="k">return</span> <span class="n">a</span> 971 1081 </div> 972 < div class="viewcode-block" id="FillArray"><a class="viewcode-back" href="../GSASIImapvars.html#GSASIImapvars.FillArray">[docs]</a><span class="k">def</span> <span class="nf">FillArray</span><span class="p">(</span><span class="n">sel</span><span class="p">,</span><span class="nb">dict</span><span class="p">,</span><span class="n">collist</span><span class="p">,</span><span class="n">FillDiagonals</span><span class="o">=</span><span class="bp">False</span><span class="p">):</span>1082 <span class="k">def</span> <span class="nf">_FillArray</span><span class="p">(</span><span class="n">sel</span><span class="p">,</span><span class="nb">dict</span><span class="p">,</span><span class="n">collist</span><span class="p">,</span><span class="n">FillDiagonals</span><span class="o">=</span><span class="bp">False</span><span class="p">):</span> 973 1083 <span class="sd">'''Construct a n by n matrix (n = len(collist)</span> 974 1084 <span class="sd"> filling in the rows using the relationships defined</span> … … 988 1098 <span class="n">arr</span><span class="p">[</span><span class="n">i</span><span class="p">,</span><span class="n">j</span><span class="p">]</span> <span class="o">=</span> <span class="nb">dict</span><span class="p">[</span><span class="n">cnum</span><span class="p">]</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="n">var</span><span class="p">,</span><span class="mi">0</span><span class="p">)</span> 989 1099 <span class="k">return</span> <span class="n">arr</span> 990 </div> 991 < div class="viewcode-block" id="SwapColumns"><a class="viewcode-back" href="../GSASIImapvars.html#GSASIImapvars.SwapColumns">[docs]</a><span class="k">def</span> <span class="nf">SwapColumns</span><span class="p">(</span><span class="n">i</span><span class="p">,</span><span class="n">m</span><span class="p">,</span><span class="n">v</span><span class="p">):</span>1100 1101 <span class="k">def</span> <span class="nf">_SwapColumns</span><span class="p">(</span><span class="n">i</span><span class="p">,</span><span class="n">m</span><span class="p">,</span><span class="n">v</span><span class="p">):</span> 992 1102 <span class="sd">'''Swap columns in matrix m as well as the labels in v </span> 993 1103 <span class="sd"> so that element (i,i) is replaced by the first non-zero element in row i after that element</span> … … 1002 1112 <span class="k">else</span><span class="p">:</span> 1003 1113 <span class="k">raise</span> <span class="ne">Exception</span><span class="p">,</span><span class="s">'Singular input'</span> 1004 </div> 1005 < div class="viewcode-block" id="RowEchelon"><a class="viewcode-back" href="../GSASIImapvars.html#GSASIImapvars.RowEchelon">[docs]</a><span class="k">def</span> <span class="nf">RowEchelon</span><span class="p">(</span><span class="n">m</span><span class="p">,</span><span class="n">arr</span><span class="p">,</span><span class="n">collist</span><span class="p">):</span>1114 1115 <span class="k">def</span> <span class="nf">_RowEchelon</span><span class="p">(</span><span class="n">m</span><span class="p">,</span><span class="n">arr</span><span class="p">,</span><span class="n">collist</span><span class="p">):</span> 1006 1116 <span class="sd">'''Convert the first m rows in Matrix arr to row-echelon form</span> 1007 1117 <span class="sd"> exchanging columns in the matrix and collist as needed.</span> … … 1013 1123 <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="n">m</span><span class="p">):</span> 1014 1124 <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">arr</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="mi">0</span><span class="p">):</span> 1015 <span class="n"> SwapColumns</span><span class="p">(</span><span class="n">i</span><span class="p">,</span><span class="n">arr</span><span class="p">,</span><span class="n">collist</span><span class="p">)</span>1125 <span class="n">_SwapColumns</span><span class="p">(</span><span class="n">i</span><span class="p">,</span><span class="n">arr</span><span class="p">,</span><span class="n">collist</span><span class="p">)</span> 1016 1126 <span class="n">arr</span><span class="p">[</span><span class="n">i</span><span class="p">,:]</span> <span class="o">/=</span> <span class="n">arr</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="c"># normalize row</span> 1017 1127 <span class="c"># subtract current row from subsequent rows to set values to left of diagonal to 0</span> 1018 1128 <span class="k">for</span> <span class="n">j</span> <span class="ow">in</span> <span class="nb">range</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="n">m</span><span class="p">):</span> 1019 1129 <span class="n">arr</span><span class="p">[</span><span class="n">j</span><span class="p">,:]</span> <span class="o">-=</span> <span class="n">arr</span><span class="p">[</span><span class="n">i</span><span class="p">,:]</span> <span class="o">*</span> <span class="n">arr</span><span class="p">[</span><span class="n">j</span><span class="p">,</span><span class="n">i</span><span class="p">]</span> 1020 </div> 1130 1021 1131 <span class="k">if</span> <span class="n">__name__</span> <span class="o">==</span> <span class="s">"__main__"</span><span class="p">:</span> 1022 1132 <span class="n">parmdict</span> <span class="o">=</span> <span class="p">{}</span> -
trunk/sphinxdocs/build/html/_modules/GSASIIphsGUI.html
r907 r911 53 53 <span class="c">#GSASII - phase data display routines</span> 54 54 <span class="c">########### SVN repository information ###################</span> 55 <span class="c"># $Date: 2013-0 4-19 15:38:07 -0500 (Fri, 19 Apr2013) $</span>56 <span class="c"># $Author: vondreele$</span>57 <span class="c"># $Revision: 889$</span>55 <span class="c"># $Date: 2013-05-15 18:18:22 -0500 (Wed, 15 May 2013) $</span> 56 <span class="c"># $Author: toby $</span> 57 <span class="c"># $Revision: 906 $</span> 58 58 <span class="c"># $URL: https://subversion.xor.aps.anl.gov/pyGSAS/trunk/GSASIIphsGUI.py $</span> 59 <span class="c"># $Id: GSASIIphsGUI.py 889 2013-04-19 20:38:07Z vondreele$</span>59 <span class="c"># $Id: GSASIIphsGUI.py 906 2013-05-15 23:18:22Z toby $</span> 60 60 <span class="c">########### SVN repository information ###################</span> 61 61 <span class="sd">'''</span> … … 64 64 <span class="sd">Module to create the GUI for display of phase information</span> 65 65 <span class="sd">in the data display window when a phase is selected.</span> 66 <span class="sd">(Items displayed by some tabs is found in other modules.)</span> 66 <span class="sd">(pages displayed in response to some phase tabs are done in other modules,</span> 67 <span class="sd">such as GSASIIddata.)</span> 67 68 68 69 <span class="sd">'''</span> … … 79 80 <span class="kn">import</span> <span class="nn">cPickle</span> 80 81 <span class="kn">import</span> <span class="nn">GSASIIpath</span> 81 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 889$"</span><span class="p">)</span>82 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 906 $"</span><span class="p">)</span> 82 83 <span class="kn">import</span> <span class="nn">GSASIIlattice</span> <span class="kn">as</span> <span class="nn">G2lat</span> 83 84 <span class="kn">import</span> <span class="nn">GSASIIspc</span> <span class="kn">as</span> <span class="nn">G2spc</span> … … 107 108 <span class="n">acosd</span> <span class="o">=</span> <span class="k">lambda</span> <span class="n">x</span><span class="p">:</span> <span class="mf">180.</span><span class="o">*</span><span class="n">np</span><span class="o">.</span><span class="n">arccos</span><span class="p">(</span><span class="n">x</span><span class="p">)</span><span class="o">/</span><span class="n">np</span><span class="o">.</span><span class="n">pi</span> 108 109 110 109 111 <div class="viewcode-block" id="UpdatePhaseData"><a class="viewcode-back" href="../GSASIIphsGUI.html#GSASIIphsGUI.UpdatePhaseData">[docs]</a><span class="k">def</span> <span class="nf">UpdatePhaseData</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">Item</span><span class="p">,</span><span class="n">data</span><span class="p">,</span><span class="n">oldPage</span><span class="p">):</span> 110 112 <span class="sd">'''Create the data display window contents when a phase is clicked on</span> 111 113 <span class="sd"> in the man (data tree) window.</span> 112 <span class="sd"> Called only from GSASIIgrid.MovePatternTreeToGrid, which in turn is</span>113 <span class="sd"> called from GSASII.GSASII.OnPatternTreeSelChanged when a tree item is</span>114 <span class="sd"> selected</span>114 <span class="sd"> Called only from :mod:`GSASIIgrid.MovePatternTreeToGrid`,</span> 115 <span class="sd"> which in turn is called from :mod:`GSASII.GSASII.OnPatternTreeSelChanged`</span> 116 <span class="sd"> when a tree item is selected.</span> 115 117 116 118 <span class="sd"> :param wx.frame G2frame: the main GSAS-II frame object</span> … … 121 123 122 124 <span class="sd"> :param int oldPage: This sets a tab to select when moving</span> 123 <span class="sd"> from one phase to another. </span> 125 <span class="sd"> from one phase to another, in which case the same tab is selected</span> 126 <span class="sd"> to display first. This is set only when the previous data tree</span> 127 <span class="sd"> selection is a phase, if not the value is None. The default action</span> 128 <span class="sd"> is to bring up the General tab.</span> 124 129 125 130 <span class="sd"> '''</span> … … 212 217 213 218 <span class="k">def</span> <span class="nf">UpdateGeneral</span><span class="p">():</span> 219 <span class="sd">'''Draw the controls for the General phase data subpage</span> 220 <span class="sd"> '''</span> 214 221 215 <span class="sd">''' default dictionary structure for phase data: (taken from GSASII.py)</span> 222 <span class="sd">""" This is the default dictionary structure for phase data</span> 223 <span class="sd"> (taken from GSASII.py)</span> 216 224 <span class="sd"> 'General':{</span> 217 225 <span class="sd"> 'Name':PhaseName</span> … … 225 233 <span class="sd"> 'Atoms':[]</span> 226 234 <span class="sd"> 'Drawing':{}</span> 227 <span class="sd"> '''</span> 228 235 <span class="sd"> """</span> 229 236 <span class="n">phaseTypes</span> <span class="o">=</span> <span class="p">[</span><span class="s">'nuclear'</span><span class="p">,</span><span class="s">'modulated'</span><span class="p">,</span><span class="s">'magnetic'</span><span class="p">,</span><span class="s">'macromolecular'</span><span class="p">]</span> 230 237 <span class="n">SetupGeneral</span><span class="p">()</span> … … 778 785 <span class="n">mcsaSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">line3Sizer</span><span class="p">)</span> 779 786 <span class="k">return</span> <span class="n">mcsaSizer</span> 780 787 788 <span class="c"># UpdateGeneral execution starts here</span> 781 789 <span class="n">General</span><span class="o">.</span><span class="n">DestroyChildren</span><span class="p">()</span> 782 790 <span class="n">dataDisplay</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Panel</span><span class="p">(</span><span class="n">General</span><span class="p">)</span> … … 809 817 810 818 <span class="n">dataDisplay</span><span class="o">.</span><span class="n">SetSizer</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">)</span> 811 <span class="n">Size</span> <span class="o">=</span> <span class="n">mainSizer</span><span class="o">.</span><span class="n">Fit</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">)</span> 812 <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">+=</span> <span class="mi">35</span> <span class="c">#compensate for status bar</span> 813 <span class="n">dataDisplay</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span> 819 <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span> 820 <span class="n">Size</span> <span class="o">=</span> <span class="n">mainSizer</span><span class="o">.</span><span class="n">ComputeFittingWindowSize</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">)</span> <span class="c"># get size needed by window</span> 821 <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">+=</span> <span class="mi">35</span> <span class="c">#compensate for status bar</span> 822 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span> 823 <span class="k">else</span><span class="p">:</span> 824 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Update</span><span class="p">()</span> 825 <span class="n">dataDisplay</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">GetClientSize</span><span class="p">())</span> 814 826 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">''</span><span class="p">)</span> 815 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>816 827 817 828 <span class="c">################################################################################</span> … … 820 831 821 832 <span class="k">def</span> <span class="nf">FillAtomsGrid</span><span class="p">(</span><span class="n">Atoms</span><span class="p">):</span> 822 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">([</span><span class="mi">700</span><span class="p">,</span><span class="mi">300</span><span class="p">])</span> 823 <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">'General'</span><span class="p">]</span> 824 <span class="n">atomData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">'Atoms'</span><span class="p">]</span> 825 <span class="n">DData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">'Drawing'</span><span class="p">]</span> 826 <span class="n">resRBData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">'RBModels'</span><span class="p">]</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">'Residue'</span><span class="p">,[])</span> 827 <span class="n">vecRBData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">'RBModels'</span><span class="p">]</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">'Vector'</span><span class="p">,[])</span> 828 <span class="n">rbAtmDict</span> <span class="o">=</span> <span class="p">{}</span> 829 <span class="k">for</span> <span class="n">rbObj</span> <span class="ow">in</span> <span class="n">resRBData</span><span class="o">+</span><span class="n">vecRBData</span><span class="p">:</span> 830 <span class="n">exclList</span> <span class="o">=</span> <span class="p">[</span><span class="s">'X'</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="nb">len</span><span class="p">(</span><span class="n">rbObj</span><span class="p">[</span><span class="s">'Ids'</span><span class="p">]))]</span> 831 <span class="n">rbAtmDict</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="nb">dict</span><span class="p">(</span><span class="nb">zip</span><span class="p">(</span><span class="n">rbObj</span><span class="p">[</span><span class="s">'Ids'</span><span class="p">],</span><span class="n">exclList</span><span class="p">)))</span> 832 <span class="k">if</span> <span class="n">rbObj</span><span class="p">[</span><span class="s">'ThermalMotion'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">!=</span> <span class="s">'None'</span><span class="p">:</span> 833 <span class="k">for</span> <span class="nb">id</span> <span class="ow">in</span> <span class="n">rbObj</span><span class="p">[</span><span class="s">'Ids'</span><span class="p">]:</span> 834 <span class="n">rbAtmDict</span><span class="p">[</span><span class="nb">id</span><span class="p">]</span> <span class="o">+=</span> <span class="s">'U'</span> 835 <span class="c"># exclList will be 'x' or 'xu' if TLS used in RB</span> 836 <span class="n">Items</span> <span class="o">=</span> <span class="p">[</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSEDITINSERT</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSEDITDELETE</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSREFINE</span><span class="p">,</span> 837 <span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSMODIFY</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSTRANSFORM</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMVIEWINSERT</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMMOVE</span><span class="p">]</span> 838 <span class="k">if</span> <span class="n">atomData</span><span class="p">:</span> 839 <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">Items</span><span class="p">:</span> 840 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">AtomsMenu</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="n">item</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span> 841 <span class="k">else</span><span class="p">:</span> 842 <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">Items</span><span class="p">:</span> 843 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">AtomsMenu</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="n">item</span><span class="p">,</span><span class="bp">False</span><span class="p">)</span> 844 <span class="n">Items</span> <span class="o">=</span> <span class="p">[</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMVIEWINSERT</span><span class="p">,</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSVIEWADD</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMMOVE</span><span class="p">]</span> 845 <span class="k">if</span> <span class="s">'showABC'</span> <span class="ow">in</span> <span class="n">data</span><span class="p">[</span><span class="s">'Drawing'</span><span class="p">]:</span> 846 <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">Items</span><span class="p">:</span> 847 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">AtomsMenu</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="n">item</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span> 848 <span class="k">else</span><span class="p">:</span> 849 <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">Items</span><span class="p">:</span> 850 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">AtomsMenu</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="n">item</span><span class="p">,</span><span class="bp">False</span><span class="p">)</span> 851 852 <span class="n">AAchoice</span> <span class="o">=</span> <span class="s">": ,ALA,ARG,ASN,ASP,CYS,GLN,GLU,GLY,HIS,ILE,LEU,LYS,MET,PHE,PRO,SER,THR,TRP,TYR,VAL,MSE,HOH,UNK"</span> 853 <span class="n">Types</span> <span class="o">=</span> <span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="s">": ,X,XU,U,F,FX,FXU,FU"</span><span class="p">,]</span><span class="o">+</span> \ 854 <span class="mi">3</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">':10,5'</span><span class="p">,]</span><span class="o">+</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">':10,4'</span><span class="p">,</span> <span class="c">#x,y,z,frac</span> 855 <span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="s">":I,A"</span><span class="p">,]</span> 856 <span class="n">Types</span> <span class="o">+=</span> <span class="mi">7</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">':10,5'</span><span class="p">,]</span> 857 <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">'Name'</span><span class="p">,</span><span class="s">'Type'</span><span class="p">,</span><span class="s">'refine'</span><span class="p">,</span><span class="s">'x'</span><span class="p">,</span><span class="s">'y'</span><span class="p">,</span><span class="s">'z'</span><span class="p">,</span><span class="s">'frac'</span><span class="p">,</span><span class="s">'site sym'</span><span class="p">,</span><span class="s">'mult'</span><span class="p">,</span><span class="s">'I/A'</span><span class="p">,</span><span class="s">'Uiso'</span><span class="p">,</span><span class="s">'U11'</span><span class="p">,</span><span class="s">'U22'</span><span class="p">,</span><span class="s">'U33'</span><span class="p">,</span><span class="s">'U12'</span><span class="p">,</span><span class="s">'U13'</span><span class="p">,</span><span class="s">'U23'</span><span class="p">]</span> 858 <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'magnetic'</span><span class="p">:</span> 859 <span class="n">colLabels</span> <span class="o">+=</span> <span class="p">[</span><span class="s">'Mx'</span><span class="p">,</span><span class="s">'My'</span><span class="p">,</span><span class="s">'Mz'</span><span class="p">]</span> 860 <span class="n">Types</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span> <span class="o">=</span> <span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="s">": ,X,XU,U,M,MX,MXU,MU,F,FX,FXU,FU,FM,FMX,FMU,"</span> 861 <span class="n">Types</span> <span class="o">+=</span> <span class="mi">3</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">':10,4'</span><span class="p">,]</span> 862 <span class="k">elif</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'macromolecular'</span><span class="p">:</span> 863 <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">'res no'</span><span class="p">,</span><span class="s">'residue'</span><span class="p">,</span><span class="s">'chain'</span><span class="p">]</span> <span class="o">+</span> <span class="n">colLabels</span> 864 <span class="n">Types</span> <span class="o">=</span> <span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span> 865 <span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="n">AAchoice</span><span class="p">,</span> 866 <span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">]</span> <span class="o">+</span> <span class="n">Types</span> 867 <span class="k">elif</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'modulated'</span><span class="p">:</span> 868 <span class="n">Types</span> <span class="o">+=</span> <span class="p">[]</span> 869 <span class="n">colLabels</span> <span class="o">+=</span> <span class="p">[]</span> 870 833 <span class="sd">'''Display the contents of the Atoms tab</span> 834 <span class="sd"> '''</span> 871 835 <span class="k">def</span> <span class="nf">RefreshAtomGrid</span><span class="p">(</span><span class="n">event</span><span class="p">):</span> 872 836 … … 1203 1167 <span class="n">Atoms</span><span class="o">.</span><span class="n">AutoSizeColumns</span><span class="p">(</span><span class="bp">False</span><span class="p">)</span> 1204 1168 1169 <span class="c"># FillAtomsGrid executable code starts here</span> 1170 <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">'General'</span><span class="p">]</span> 1171 <span class="n">atomData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">'Atoms'</span><span class="p">]</span> 1172 <span class="n">DData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">'Drawing'</span><span class="p">]</span> 1173 <span class="n">resRBData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">'RBModels'</span><span class="p">]</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">'Residue'</span><span class="p">,[])</span> 1174 <span class="n">vecRBData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">'RBModels'</span><span class="p">]</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">'Vector'</span><span class="p">,[])</span> 1175 <span class="n">rbAtmDict</span> <span class="o">=</span> <span class="p">{}</span> 1176 <span class="k">for</span> <span class="n">rbObj</span> <span class="ow">in</span> <span class="n">resRBData</span><span class="o">+</span><span class="n">vecRBData</span><span class="p">:</span> 1177 <span class="n">exclList</span> <span class="o">=</span> <span class="p">[</span><span class="s">'X'</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="nb">len</span><span class="p">(</span><span class="n">rbObj</span><span class="p">[</span><span class="s">'Ids'</span><span class="p">]))]</span> 1178 <span class="n">rbAtmDict</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="nb">dict</span><span class="p">(</span><span class="nb">zip</span><span class="p">(</span><span class="n">rbObj</span><span class="p">[</span><span class="s">'Ids'</span><span class="p">],</span><span class="n">exclList</span><span class="p">)))</span> 1179 <span class="k">if</span> <span class="n">rbObj</span><span class="p">[</span><span class="s">'ThermalMotion'</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">!=</span> <span class="s">'None'</span><span class="p">:</span> 1180 <span class="k">for</span> <span class="nb">id</span> <span class="ow">in</span> <span class="n">rbObj</span><span class="p">[</span><span class="s">'Ids'</span><span class="p">]:</span> 1181 <span class="n">rbAtmDict</span><span class="p">[</span><span class="nb">id</span><span class="p">]</span> <span class="o">+=</span> <span class="s">'U'</span> 1182 <span class="c"># exclList will be 'x' or 'xu' if TLS used in RB</span> 1183 <span class="n">Items</span> <span class="o">=</span> <span class="p">[</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSEDITINSERT</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSEDITDELETE</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSREFINE</span><span class="p">,</span> 1184 <span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSMODIFY</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSTRANSFORM</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMVIEWINSERT</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMMOVE</span><span class="p">]</span> 1185 <span class="k">if</span> <span class="n">atomData</span><span class="p">:</span> 1186 <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">Items</span><span class="p">:</span> 1187 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">AtomsMenu</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="n">item</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span> 1188 <span class="k">else</span><span class="p">:</span> 1189 <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">Items</span><span class="p">:</span> 1190 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">AtomsMenu</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="n">item</span><span class="p">,</span><span class="bp">False</span><span class="p">)</span> 1191 <span class="n">Items</span> <span class="o">=</span> <span class="p">[</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMVIEWINSERT</span><span class="p">,</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSVIEWADD</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMMOVE</span><span class="p">]</span> 1192 <span class="k">if</span> <span class="s">'showABC'</span> <span class="ow">in</span> <span class="n">data</span><span class="p">[</span><span class="s">'Drawing'</span><span class="p">]:</span> 1193 <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">Items</span><span class="p">:</span> 1194 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">AtomsMenu</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="n">item</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span> 1195 <span class="k">else</span><span class="p">:</span> 1196 <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">Items</span><span class="p">:</span> 1197 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">AtomsMenu</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="n">item</span><span class="p">,</span><span class="bp">False</span><span class="p">)</span> 1198 1199 <span class="n">AAchoice</span> <span class="o">=</span> <span class="s">": ,ALA,ARG,ASN,ASP,CYS,GLN,GLU,GLY,HIS,ILE,LEU,LYS,MET,PHE,PRO,SER,THR,TRP,TYR,VAL,MSE,HOH,UNK"</span> 1200 <span class="n">Types</span> <span class="o">=</span> <span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="s">": ,X,XU,U,F,FX,FXU,FU"</span><span class="p">,]</span><span class="o">+</span> \ 1201 <span class="mi">3</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">':10,5'</span><span class="p">,]</span><span class="o">+</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">':10,4'</span><span class="p">,</span> <span class="c">#x,y,z,frac</span> 1202 <span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="s">":I,A"</span><span class="p">,]</span> 1203 <span class="n">Types</span> <span class="o">+=</span> <span class="mi">7</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">':10,5'</span><span class="p">,]</span> 1204 <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">'Name'</span><span class="p">,</span><span class="s">'Type'</span><span class="p">,</span><span class="s">'refine'</span><span class="p">,</span><span class="s">'x'</span><span class="p">,</span><span class="s">'y'</span><span class="p">,</span><span class="s">'z'</span><span class="p">,</span><span class="s">'frac'</span><span class="p">,</span><span class="s">'site sym'</span><span class="p">,</span><span class="s">'mult'</span><span class="p">,</span><span class="s">'I/A'</span><span class="p">,</span><span class="s">'Uiso'</span><span class="p">,</span><span class="s">'U11'</span><span class="p">,</span><span class="s">'U22'</span><span class="p">,</span><span class="s">'U33'</span><span class="p">,</span><span class="s">'U12'</span><span class="p">,</span><span class="s">'U13'</span><span class="p">,</span><span class="s">'U23'</span><span class="p">]</span> 1205 <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'magnetic'</span><span class="p">:</span> 1206 <span class="n">colLabels</span> <span class="o">+=</span> <span class="p">[</span><span class="s">'Mx'</span><span class="p">,</span><span class="s">'My'</span><span class="p">,</span><span class="s">'Mz'</span><span class="p">]</span> 1207 <span class="n">Types</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span> <span class="o">=</span> <span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="s">": ,X,XU,U,M,MX,MXU,MU,F,FX,FXU,FU,FM,FMX,FMU,"</span> 1208 <span class="n">Types</span> <span class="o">+=</span> <span class="mi">3</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">':10,4'</span><span class="p">,]</span> 1209 <span class="k">elif</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'macromolecular'</span><span class="p">:</span> 1210 <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">'res no'</span><span class="p">,</span><span class="s">'residue'</span><span class="p">,</span><span class="s">'chain'</span><span class="p">]</span> <span class="o">+</span> <span class="n">colLabels</span> 1211 <span class="n">Types</span> <span class="o">=</span> <span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span> 1212 <span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="n">AAchoice</span><span class="p">,</span> 1213 <span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">]</span> <span class="o">+</span> <span class="n">Types</span> 1214 <span class="k">elif</span> <span class="n">generalData</span><span class="p">[</span><span class="s">'Type'</span><span class="p">]</span> <span class="o">==</span> <span class="s">'modulated'</span><span class="p">:</span> 1215 <span class="n">Types</span> <span class="o">+=</span> <span class="p">[]</span> 1216 <span class="n">colLabels</span> <span class="o">+=</span> <span class="p">[]</span> 1205 1217 <span class="n">SGData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">'General'</span><span class="p">][</span><span class="s">'SGData'</span><span class="p">]</span> 1206 1218 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">''</span><span class="p">)</span> … … 1213 1225 <span class="n">Atoms</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wg</span><span class="o">.</span><span class="n">EVT_GRID_LABEL_RIGHT_CLICK</span><span class="p">,</span> <span class="n">ChangeSelection</span><span class="p">)</span> 1214 1226 <span class="n">Atoms</span><span class="o">.</span><span class="n">SetMargins</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">)</span> 1227 <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span> 1228 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">([</span><span class="mi">700</span><span class="p">,</span><span class="mi">300</span><span class="p">])</span> 1229 <span class="k">else</span><span class="p">:</span> 1230 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Update</span><span class="p">()</span> 1215 1231 <span class="n">Paint</span><span class="p">()</span> 1216 1232 … … 4378 4394 <span class="n">event</span><span class="o">.</span><span class="n">Skip</span><span class="p">()</span> 4379 4395 4396 <span class="k">def</span> <span class="nf">OnDataResize</span><span class="p">(</span><span class="n">event</span><span class="p">):</span> 4397 <span class="s">'Called when the data item window is resized by the user.'</span> 4398 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">GetSize</span><span class="p">()</span> 4399 <span class="k">print</span> <span class="s">'Resize to'</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span> 4400 <span class="n">event</span><span class="o">.</span><span class="n">Skip</span><span class="p">()</span> 4401 4380 4402 <span class="k">def</span> <span class="nf">OnPageChanged</span><span class="p">(</span><span class="n">event</span><span class="p">):</span> 4403 <span class="sd">'''This is called every time that a Notebook tab button is pressed</span> 4404 <span class="sd"> on a Phase data item window</span> 4405 <span class="sd"> '''</span> 4406 <span class="n">wx</span><span class="o">.</span><span class="n">Frame</span><span class="o">.</span><span class="n">Unbind</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_SIZE</span><span class="p">)</span> <span class="c"># ignore size events during this routine</span> 4381 4407 <span class="n">page</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">GetSelection</span><span class="p">()</span> 4382 4408 <span class="n">text</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="o">.</span><span class="n">GetPageText</span><span class="p">(</span><span class="n">page</span><span class="p">)</span> … … 4476 4502 <span class="k">else</span><span class="p">:</span> 4477 4503 <span class="n">G2gd</span><span class="o">.</span><span class="n">SetDataMenuBar</span><span class="p">(</span><span class="n">G2frame</span><span class="p">)</span> 4504 <span class="n">wx</span><span class="o">.</span><span class="n">Frame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_SIZE</span><span class="p">,</span><span class="n">OnDataResize</span><span class="p">)</span> <span class="c"># capture user resize events</span> 4478 4505 <span class="n">event</span><span class="o">.</span><span class="n">Skip</span><span class="p">()</span> 4479 4506 4507 <span class="n">wx</span><span class="o">.</span><span class="n">Frame</span><span class="o">.</span><span class="n">Unbind</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_SIZE</span><span class="p">)</span> <span class="c"># ignore size events during this routine</span> 4480 4508 <span class="n">General</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Window</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">)</span> 4509 <span class="c"># General = wx.ScrolledWindow(G2frame.dataDisplay) # would like to change to this</span> 4481 4510 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="o">.</span><span class="n">AddPage</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="s">'General'</span><span class="p">)</span> 4482 4511 <span class="n">DData</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ScrolledWindow</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">)</span> … … 4504 4533 4505 4534 <span class="n">G2gd</span><span class="o">.</span><span class="n">SetDataMenuBar</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">DataGeneral</span><span class="p">)</span> 4506 <span class="n">SetupGeneral</span><span class="p">()</span> 4535 <span class="n">SetupGeneral</span><span class="p">()</span> <span class="c"># this is done all over the place (including in</span> 4536 <span class="c"># UpdateGeneral). Why here too?</span> 4537 4507 4538 <span class="n">GeneralData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">'General'</span><span class="p">]</span> 4508 <span class="k">if</span> <span class="n">oldPage</span><span class="p">:</span> 4539 4540 <span class="k">if</span> <span class="n">oldPage</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span> 4541 <span class="c"># when entering a Phase data item from any other item,</span> 4542 <span class="c"># reset a saved size, if any.</span> 4543 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">PhaseUserSize</span> <span class="o">=</span> <span class="bp">None</span> 4544 <span class="n">UpdateGeneral</span><span class="p">()</span> 4545 <span class="k">elif</span> <span class="n">oldPage</span><span class="p">:</span> 4509 4546 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="o">.</span><span class="n">SetSelection</span><span class="p">(</span><span class="n">oldPage</span><span class="p">)</span> 4510 4547 <span class="k">else</span><span class="p">:</span> 4511 4548 <span class="n">UpdateGeneral</span><span class="p">()</span> 4512 4513 </pre></div> </div>4549 <span class="n">wx</span><span class="o">.</span><span class="n">Frame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_SIZE</span><span class="p">,</span><span class="n">OnDataResize</span><span class="p">)</span> <span class="c"># capture user resizing</span></div> 4550 </pre></div> 4514 4551 4515 4552 </div> -
trunk/sphinxdocs/build/html/_modules/index.html
r907 r911 49 49 <h1>All modules for which code is available</h1> 50 50 <ul><li><a href="GSASII.html">GSASII</a></li> 51 <li><a href="GSASIIddataGUI.html">GSASIIddataGUI</a></li> 52 <li><a href="GSASIIgrid.html">GSASIIgrid</a></li> 51 53 <li><a href="GSASIImapvars.html">GSASIImapvars</a></li> 52 54 <li><a href="GSASIIphsGUI.html">GSASIIphsGUI</a></li> -
trunk/sphinxdocs/build/html/genindex.html
r907 r911 53 53 54 54 <div class="genindex-jumpbox"> 55 <a href="#C"><strong>C</strong></a> 55 <a href="#A"><strong>A</strong></a> 56 | <a href="#B"><strong>B</strong></a> 57 | <a href="#C"><strong>C</strong></a> 56 58 | <a href="#D"><strong>D</strong></a> 57 59 | <a href="#E"><strong>E</strong></a> 58 60 | <a href="#F"><strong>F</strong></a> 59 61 | <a href="#G"><strong>G</strong></a> 62 | <a href="#H"><strong>H</strong></a> 60 63 | <a href="#I"><strong>I</strong></a> 61 64 | <a href="#M"><strong>M</strong></a> … … 64 67 | <a href="#R"><strong>R</strong></a> 65 68 | <a href="#S"><strong>S</strong></a> 69 | <a href="#T"><strong>T</strong></a> 66 70 | <a href="#U"><strong>U</strong></a> 67 71 | <a href="#V"><strong>V</strong></a> 68 72 69 73 </div> 74 <h2 id="A">A</h2> 75 <table style="width: 100%" class="indextable genindextable"><tr> 76 <td style="width: 33%" valign="top"><dl> 77 78 <dt><a href="GSASIIgrid.html#GSASIIgrid.AddHelp">AddHelp (class in GSASIIgrid)</a> 79 </dt> 80 81 </dl></td> 82 </tr></table> 83 84 <h2 id="B">B</h2> 85 <table style="width: 100%" class="indextable genindextable"><tr> 86 <td style="width: 33%" valign="top"><dl> 87 88 <dt><a href="GSASIIgrid.html#GSASIIgrid.DataFrame.Bind">Bind() (GSASIIgrid.DataFrame method)</a> 89 </dt> 90 91 </dl></td> 92 </tr></table> 93 70 94 <h2 id="C">C</h2> 71 95 <table style="width: 100%" class="indextable genindextable"><tr> … … 92 116 <td style="width: 33%" valign="top"><dl> 93 117 118 <dt><a href="GSASIIgrid.html#GSASIIgrid.DataFrame">DataFrame (class in GSASIIgrid)</a> 119 </dt> 120 121 94 122 <dt><a href="GSASIImapvars.html#GSASIImapvars.Dict2Deriv">Dict2Deriv() (in module GSASIImapvars)</a> 95 123 </dt> … … 101 129 </dt> 102 130 131 132 <dt><a href="GSASIIgrid.html#GSASIIgrid.DisAglDialog">DisAglDialog (class in GSASIIgrid)</a> 133 </dt> 134 103 135 </dl></td> 104 136 </tr></table> … … 134 166 <td style="width: 33%" valign="top"><dl> 135 167 168 <dt><a href="GSASIIgrid.html#GSASIIgrid.G2HtmlWindow">G2HtmlWindow (class in GSASIIgrid)</a> 169 </dt> 170 171 136 172 <dt><a href="GSASIImapvars.html#GSASIImapvars.GenerateConstraints">GenerateConstraints() (in module GSASIImapvars)</a> 137 173 </dt> … … 154 190 155 191 192 <dt><a href="GSASIIgrid.html#GSASIIgrid.GetPatternTreeDataNames">GetPatternTreeDataNames() (in module GSASIIgrid)</a> 193 </dt> 194 195 196 <dt><a href="GSASIIgrid.html#GSASIIgrid.GetPatternTreeItemId">GetPatternTreeItemId() (in module GSASIIgrid)</a> 197 </dt> 198 199 156 200 <dt><a href="GSASII.html#GSASII.GSASII.GetPhaseData">GetPhaseData() (GSASII.GSASII method)</a> 157 201 </dt> … … 171 215 172 216 <dt><a href="GSASIImapvars.html#GSASIImapvars.GramSchmidtOrtho">GramSchmidtOrtho() (in module GSASIImapvars)</a> 217 </dt> 218 219 220 <dt><a href="GSASIIgrid.html#GSASIIgrid.GridFractionEditor">GridFractionEditor (class in GSASIIgrid)</a> 173 221 </dt> 174 222 … … 206 254 207 255 256 <dt><a href="GSASIIddataGUI.html#module-GSASIIddataGUI">GSASIIddataGUI (module)</a> 257 </dt> 258 259 260 <dt><a href="GSASIIgrid.html#module-GSASIIgrid">GSASIIgrid (module)</a> 261 </dt> 262 263 208 264 <dt><a href="GSASII.html#GSASII.GSASIImain">GSASIImain (class in GSASII)</a> 209 265 </dt> … … 217 273 </dt> 218 274 275 276 <dt><a href="GSASIIgrid.html#GSASIIgrid.GSGrid">GSGrid (class in GSASIIgrid)</a> 277 </dt> 278 279 280 <dt><a href="GSASIIgrid.html#GSASIIgrid.GSNoteBook">GSNoteBook (class in GSASIIgrid)</a> 281 </dt> 282 283 </dl></td> 284 </tr></table> 285 286 <h2 id="H">H</h2> 287 <table style="width: 100%" class="indextable genindextable"><tr> 288 <td style="width: 33%" valign="top"><dl> 289 290 <dt><a href="GSASIIgrid.html#GSASIIgrid.HorizontalLine">HorizontalLine() (in module GSASIIgrid)</a> 291 </dt> 292 219 293 </dl></td> 220 294 </tr></table> … … 237 311 </dt> 238 312 239 </dl></td>240 <td style="width: 33%" valign="top"><dl>241 313 242 314 <dt><a href="GSASIImapvars.html#GSASIImapvars.Map2Dict">Map2Dict() (in module GSASIImapvars)</a> 243 315 </dt> 244 316 317 318 <dt><a href="GSASIIgrid.html#GSASIIgrid.MovePatternTreeToGrid">MovePatternTreeToGrid() (in module GSASIIgrid)</a> 319 </dt> 320 321 </dl></td> 322 <td style="width: 33%" valign="top"><dl> 323 324 <dt><a href="GSASIIgrid.html#GSASIIgrid.MyHelp">MyHelp (class in GSASIIgrid)</a> 325 </dt> 326 327 328 <dt><a href="GSASIIgrid.html#GSASIIgrid.MyHtmlPanel">MyHtmlPanel (class in GSASIIgrid)</a> 329 </dt> 330 245 331 </dl></td> 246 332 </tr></table> … … 254 340 255 341 342 <dt><a href="GSASIIgrid.html#GSASIIgrid.MyHelp.OnCheckUpdates">OnCheckUpdates() (GSASIIgrid.MyHelp method)</a> 343 </dt> 344 345 256 346 <dt><a href="GSASII.html#GSASII.GSASII.OnDataDelete">OnDataDelete() (GSASII.GSASII method)</a> 257 347 </dt> … … 282 372 283 373 374 <dt><a href="GSASIIgrid.html#GSASIIgrid.MyHelp.OnHelpAbout">OnHelpAbout() (GSASIIgrid.MyHelp method)</a> 375 </dt> 376 377 378 <dt><a href="GSASIIgrid.html#GSASIIgrid.AddHelp.OnHelpById">OnHelpById() (GSASIIgrid.AddHelp method)</a> 379 </dt> 380 381 <dd><dl> 382 383 <dt><a href="GSASIIgrid.html#GSASIIgrid.MyHelp.OnHelpById">(GSASIIgrid.MyHelp method)</a> 384 </dt> 385 386 </dl></dd> 387 284 388 <dt><a href="GSASII.html#GSASII.GSASII.OnImageRead">OnImageRead() (GSASII.GSASII method)</a> 285 389 </dt> … … 301 405 </dt> 302 406 407 </dl></td> 408 <td style="width: 33%" valign="top"><dl> 303 409 304 410 <dt><a href="GSASII.html#GSASII.GSASII.OnImportSfact">OnImportSfact() (GSASII.GSASII method)</a> … … 309 415 </dt> 310 416 311 </dl></td>312 <td style="width: 33%" valign="top"><dl>313 417 314 418 <dt><a href="GSASII.html#GSASII.GSASII.OnMakePDFs">OnMakePDFs() (GSASII.GSASII method)</a> … … 374 478 <td style="width: 33%" valign="top"><dl> 375 479 480 <dt><a href="GSASIIgrid.html#GSASIIgrid.PickTwoDialog">PickTwoDialog (class in GSASIIgrid)</a> 481 </dt> 482 483 484 <dt><a href="GSASIIgrid.html#GSASIIgrid.DataFrame.PostfillDataMenu">PostfillDataMenu() (GSASIIgrid.DataFrame method)</a> 485 </dt> 486 487 </dl></td> 488 <td style="width: 33%" valign="top"><dl> 489 490 <dt><a href="GSASIIgrid.html#GSASIIgrid.DataFrame.PrefillDataMenu">PrefillDataMenu() (GSASIIgrid.DataFrame method)</a> 491 </dt> 492 493 376 494 <dt><a href="GSASIImapvars.html#GSASIImapvars.PrintIndependentVars">PrintIndependentVars() (in module GSASIImapvars)</a> 377 495 </dt> … … 400 518 <td style="width: 33%" valign="top"><dl> 401 519 520 <dt><a href="GSASIIgrid.html#GSASIIgrid.SetDataMenuBar">SetDataMenuBar() (in module GSASIIgrid)</a> 521 </dt> 522 523 524 <dt><a href="GSASIIgrid.html#GSASIIgrid.ShowHelp">ShowHelp() (in module GSASIIgrid)</a> 525 </dt> 526 527 528 <dt><a href="GSASIIgrid.html#GSASIIgrid.SingleFloatDialog">SingleFloatDialog (class in GSASIIgrid)</a> 529 </dt> 530 531 </dl></td> 532 <td style="width: 33%" valign="top"><dl> 533 402 534 <dt><a href="GSASIImapvars.html#GSASIImapvars.StoreEquivalence">StoreEquivalence() (in module GSASIImapvars)</a> 403 535 </dt> 404 536 537 538 <dt><a href="GSASIIgrid.html#GSASIIgrid.SymOpDialog">SymOpDialog (class in GSASIIgrid)</a> 539 </dt> 540 541 </dl></td> 542 </tr></table> 543 544 <h2 id="T">T</h2> 545 <table style="width: 100%" class="indextable genindextable"><tr> 546 <td style="width: 33%" valign="top"><dl> 547 548 <dt><a href="GSASIIgrid.html#GSASIIgrid.Table">Table (class in GSASIIgrid)</a> 549 </dt> 550 405 551 </dl></td> 406 552 </tr></table> … … 410 556 <td style="width: 33%" valign="top"><dl> 411 557 558 <dt><a href="GSASIIgrid.html#GSASIIgrid.UpdateControls">UpdateControls() (in module GSASIIgrid)</a> 559 </dt> 560 561 562 <dt><a href="GSASIIddataGUI.html#GSASIIddataGUI.UpdateDData">UpdateDData() (in module GSASIIddataGUI)</a> 563 </dt> 564 565 566 <dt><a href="GSASIIgrid.html#GSASIIgrid.UpdateHKLControls">UpdateHKLControls() (in module GSASIIgrid)</a> 567 </dt> 568 569 570 <dt><a href="GSASIIgrid.html#GSASIIgrid.UpdateNotebook">UpdateNotebook() (in module GSASIIgrid)</a> 571 </dt> 572 573 </dl></td> 574 <td style="width: 33%" valign="top"><dl> 575 412 576 <dt><a href="GSASIIphsGUI.html#GSASIIphsGUI.UpdatePhaseData">UpdatePhaseData() (in module GSASIIphsGUI)</a> 577 </dt> 578 579 580 <dt><a href="GSASIIgrid.html#GSASIIgrid.UpdatePWHKPlot">UpdatePWHKPlot() (in module GSASIIgrid)</a> 581 </dt> 582 583 584 <dt><a href="GSASIIgrid.html#GSASIIgrid.UpdateSeqResults">UpdateSeqResults() (in module GSASIIgrid)</a> 413 585 </dt> 414 586 -
trunk/sphinxdocs/build/html/index.html
r907 r911 62 62 </ul> 63 63 </li> 64 <li class="toctree-l1"><a class="reference internal" href="GSASIIgrid.html"><em>GSASIIgrid: Basic GUI routines</em></a></li> 64 65 <li class="toctree-l1"><a class="reference internal" href="GSASIIphsGUI.html"><em>GSASIIphsGUI: Phase GUI</em></a></li> 66 <li class="toctree-l1"><a class="reference internal" href="GSASIIddataGUI.html"><em>GSASIIddataGUI: Phase Diffraction Data GUI</em></a></li> 65 67 </ul> 66 68 </div> -
trunk/sphinxdocs/build/html/py-modindex.html
r907 r911 73 73 <td></td> 74 74 <td> 75 <a href="GSASIIddataGUI.html#module-GSASIIddataGUI"><tt class="xref">GSASIIddataGUI</tt></a></td><td> 76 <em></em></td></tr> 77 <tr> 78 <td></td> 79 <td> 80 <a href="GSASIIgrid.html#module-GSASIIgrid"><tt class="xref">GSASIIgrid</tt></a></td><td> 81 <em></em></td></tr> 82 <tr> 83 <td></td> 84 <td> 75 85 <a href="GSASIImapvars.html#module-GSASIImapvars"><tt class="xref">GSASIImapvars</tt></a></td><td> 76 86 <em></em></td></tr> -
trunk/sphinxdocs/build/html/searchindex.js
r907 r911 1 Search.setIndex({objects:{"":{GSASIImapvars:[ 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trunk/sphinxdocs/source/index.rst
r907 r911 10 10 GSASII.rst 11 11 GSASIImapvars.rst 12 12 GSASIIgrid.rst 13 13 GSASIIphsGUI.rst 14 GSASIIddataGUI.rst 14 15 15 16
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