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57  <span class="target" id="module-GSASIIobj"></span><div class="section" id="gsasiiobj-data-objects">
58<h1><em>GSASIIobj: Data objects</em><a class="headerlink" href="#gsasiiobj-data-objects" title="Permalink to this headline">¶</a></h1>
59<p>This module defines and/or documents the data structures used in GSAS-II.</p>
60<div class="section" id="constraints-tree-item">
61<h2>Constraints Tree Item<a class="headerlink" href="#constraints-tree-item" title="Permalink to this headline">¶</a></h2>
62<span class="target" id="constraints-table"></span><p id="index-0">Constraints are stored in a dict, separated into groups.
63Note that parameter are named in the following pattern,
64p:h:&lt;var&gt;:n, where p is the phase number, h is the histogram number
65&lt;var&gt; is a variable name and n is the parameter number.
66If a parameter does not depend on a histogram or phase or is unnumbered, that
67number is omitted.
68Note that the contents of each dict item is a List where each element in the
69list is a <a class="reference internal" href="#constraint-definitions-table"><em>constraint definition objects</em></a>.</p>
70<p>The keys in the Constraints dict are:</p>
71<table border="1" class="docutils">
72<colgroup>
73<col width="16%" />
74<col width="84%" />
75</colgroup>
76<thead valign="bottom">
77<tr class="row-odd"><th class="head">key</th>
78<th class="head">explanation</th>
79</tr>
80</thead>
81<tbody valign="top">
82<tr class="row-even"><td>Hist</td>
83<td>This specifies a list of constraints on
84histogram-related parameters,
85which will be of form :h:&lt;var&gt;:n.</td>
86</tr>
87<tr class="row-odd"><td>HAP</td>
88<td>This specifies a list of constraints on parameters
89that are defined for every histogram in each phase
90and are of form p:h:&lt;var&gt;:n.</td>
91</tr>
92<tr class="row-even"><td>Phase</td>
93<td>This specifies a list of constraints on phase
94parameters,
95which will be of form p::&lt;var&gt;:n.</td>
96</tr>
97<tr class="row-odd"><td>Global</td>
98<td>This specifies a list of constraints on parameters
99that are not tied to a histogram or phase and
100are of form ::&lt;var&gt;:n</td>
101</tr>
102</tbody>
103</table>
104<span class="target" id="constraint-definitions-table"></span><p id="index-1">Each constraint is defined as a list using a series of terms of form</p>
105<div class="highlight-python"><pre>[[&lt;mult1&gt;, &lt;var1&gt;], [&lt;mult2&gt;, &lt;var2&gt;],..., &lt;fixed val&gt;, &lt;vary flag&gt;, &lt;cons type&gt;]</pre>
106</div>
107<p>Where the variable pair list item containing two values [&lt;mult&gt;, &lt;var&gt;],</p>
108<blockquote>
109<div><ul class="simple">
110<li>&lt;mult&gt; is a multiplier for the constraint (float)</li>
111<li>&lt;var&gt; is the name of the variable (str) (or to be implemented a <a class="reference internal" href="#GSASIIobj.VarName" title="GSASIIobj.VarName"><tt class="xref py py-class docutils literal"><span class="pre">VarName</span></tt></a> object.)</li>
112</ul>
113</div></blockquote>
114<p>Note that the last three items in the list play a special role:</p>
115<blockquote>
116<div><ul>
117<li><p class="first">&lt;fixed val&gt; is the fixed value for a constraint equation or is None</p>
118</li>
119<li><p class="first">&lt;vary flag&gt; is True, False or None and is intended to use to indicate if new variables
120should be refined.</p>
121</li>
122<li><p class="first">&lt;cons type&gt; is one of four letters, &#8216;e&#8217;, &#8216;c&#8217;, &#8216;h&#8217;, &#8216;f&#8217; that determines the type of constraint.</p>
123<blockquote>
124<div><ul class="simple">
125<li>&#8216;e&#8217; defines a set of equivalent variables. Only the first variable is refined (if the
126appropriate refine flag is set) and and all other equivalent variables in the list
127are generated from that variable. The vary flag for those variables is ignored.</li>
128<li>&#8216;c&#8217; defines a constraint equation of form, <math xmlns="http://www.w3.org/1998/Math/MathML">
129<mrow><msub><mi>m</mi><mn>1</mn></msub><mo>×</mo><mi>v</mi><mi>a</mi><msub><mi>r</mi><mn>1</mn></msub><mo>+</mo><msub><mi>m</mi><mn>2</mn></msub><mo>×</mo><mi>v</mi><mi>a</mi><msub><mi>r</mi><mn>2</mn></msub><mo>+</mo><mo>.</mo><mo>.</mo><mo>.</mo><mo>=</mo><mi>c</mi></mrow></math></li>
130<li>&#8216;h&#8217; defines a variable to hold (not vary). Any variable on this list is not varied, even if its refinement
131flag is set. This is of particular value when needing to hold one or more variables in a set such as
132the reciprocal metric tensor or anisotropic displacement parameter.</li>
133<li>&#8216;f&#8217; defines a relationship to define a new variable according to relationship
134<math xmlns="http://www.w3.org/1998/Math/MathML">
135<mrow><mi>n</mi><mi>e</mi><mi>w</mi><mi>v</mi><mi>a</mi><mi>r</mi><mo>=</mo><msub><mi>m</mi><mn>1</mn></msub><mo>×</mo><mi>v</mi><mi>a</mi><msub><mi>r</mi><mn>1</mn></msub><mo>+</mo><msub><mi>m</mi><mn>2</mn></msub><mo>×</mo><mi>v</mi><mi>a</mi><msub><mi>r</mi><mn>2</mn></msub><mo>+</mo><mo>.</mo><mo>.</mo><mo>.</mo></mrow></math></li>
136</ul>
137</div></blockquote>
138</li>
139</ul>
140</div></blockquote>
141</div>
142<div class="section" id="covariance-tree-item">
143<h2>Covariance Tree Item<a class="headerlink" href="#covariance-tree-item" title="Permalink to this headline">¶</a></h2>
144<span class="target" id="covariance-table"></span><p id="index-2">The Covariance tree item has results from the last least-squares run. They
145are stored in a dict with these keys:</p>
146<table border="1" class="docutils">
147<colgroup>
148<col width="16%" />
149<col width="19%" />
150<col width="65%" />
151</colgroup>
152<thead valign="bottom">
153<tr class="row-odd"><th class="head">key</th>
154<th class="head">sub-key</th>
155<th class="head">explanation</th>
156</tr>
157</thead>
158<tbody valign="top">
159<tr class="row-even"><td>newCellDict</td>
160<td></td>
161<td>dict with lattice parameters computed by
162<a class="reference internal" href="GSASIIstruc.html#GSASIIstrMath.GetNewCellParms" title="GSASIIstrMath.GetNewCellParms"><tt class="xref py py-func docutils literal"><span class="pre">GSASIIstrMath.GetNewCellParms()</span></tt></a> (dict)</td>
163</tr>
164<tr class="row-odd"><td>title</td>
165<td></td>
166<td>Name of gpx file(?) (str)</td>
167</tr>
168<tr class="row-even"><td>variables</td>
169<td></td>
170<td>Values for all N refined variables
171(list of float values, length N,
172ordered to match varyList)</td>
173</tr>
174<tr class="row-odd"><td>sig</td>
175<td></td>
176<td>Uncertainty values for all N refined variables
177(list of float values, length N,
178ordered to match varyList)</td>
179</tr>
180<tr class="row-even"><td>varyList</td>
181<td></td>
182<td>List of directly refined variables
183(list of str values, length N)</td>
184</tr>
185<tr class="row-odd"><td>newAtomDict</td>
186<td></td>
187<td>dict with atom position values computed in
188<a class="reference internal" href="GSASIIstruc.html#GSASIIstrMath.ApplyXYZshifts" title="GSASIIstrMath.ApplyXYZshifts"><tt class="xref py py-func docutils literal"><span class="pre">GSASIIstrMath.ApplyXYZshifts()</span></tt></a> (dict)</td>
189</tr>
190<tr class="row-even"><td>Rvals</td>
191<td></td>
192<td>R-factors, GOF, Marquardt value for last
193refinement cycle (dict)</td>
194</tr>
195<tr class="row-odd"><td></td>
196<td>Nobs</td>
197<td>Number of observed data points (int)</td>
198</tr>
199<tr class="row-even"><td></td>
200<td>Rwp</td>
201<td>overall weighted profile R-factor (%, float)</td>
202</tr>
203<tr class="row-odd"><td></td>
204<td>chisq</td>
205<td>sum[w*(Iobs-Icalc)**2] for all data
206note this is not the reduced chi squared (float)</td>
207</tr>
208<tr class="row-even"><td></td>
209<td>lamMax</td>
210<td>Marquardt value applied to Hessian diagonal
211(float)</td>
212</tr>
213<tr class="row-odd"><td></td>
214<td>GOF</td>
215<td>The goodness-of-fit, aka square root of
216the reduced chi squared. (float)</td>
217</tr>
218<tr class="row-even"><td>covMatrix</td>
219<td></td>
220<td>The (NxN) covVariance matrix (np.array)</td>
221</tr>
222</tbody>
223</table>
224</div>
225<div class="section" id="phase-tree-item">
226<h2>Phase Tree Item<a class="headerlink" href="#phase-tree-item" title="Permalink to this headline">¶</a></h2>
227<span class="target" id="phase-table"></span><p id="index-3">Phase information is stored in the GSAS-II data tree as children of the
228Phases item in a dict with keys:</p>
229<table border="1" class="docutils">
230<colgroup>
231<col width="10%" />
232<col width="15%" />
233<col width="75%" />
234</colgroup>
235<thead valign="bottom">
236<tr class="row-odd"><th class="head">key</th>
237<th class="head">sub-key</th>
238<th class="head">explanation</th>
239</tr>
240</thead>
241<tbody valign="top">
242<tr class="row-even"><td>General</td>
243<td></td>
244<td>Overall information for the phase (dict)</td>
245</tr>
246<tr class="row-odd"><td></td>
247<td>AtomPtrs</td>
248<td>? (list)</td>
249</tr>
250<tr class="row-even"><td></td>
251<td>F000X</td>
252<td>x-ray F(000) intensity (float)</td>
253</tr>
254<tr class="row-odd"><td></td>
255<td>F000N</td>
256<td>neutron F(000) intensity (float)</td>
257</tr>
258<tr class="row-even"><td></td>
259<td>Mydir</td>
260<td>directory of current .gpx file (str)</td>
261</tr>
262<tr class="row-odd"><td></td>
263<td>MCSA controls</td>
264<td>?</td>
265</tr>
266<tr class="row-even"><td></td>
267<td>Cell</td>
268<td>List with 7 items: cell refinement flag (bool)
269a, b, c, (Angstrom, float)
270alpha, beta &amp; gamma (degrees, float)</td>
271</tr>
272<tr class="row-odd"><td></td>
273<td>Type</td>
274<td>for now &#8216;nuclear&#8217; (str)</td>
275</tr>
276<tr class="row-even"><td></td>
277<td>Map</td>
278<td>dict of map parameters</td>
279</tr>
280<tr class="row-odd"><td></td>
281<td>SH Texture</td>
282<td>dict of spherical harmonic preferred orientation
283parameters</td>
284</tr>
285<tr class="row-even"><td></td>
286<td>Isotope</td>
287<td>dict of isotopes for each atom type</td>
288</tr>
289<tr class="row-odd"><td></td>
290<td>Isotopes</td>
291<td>dict of scattering lengths for each isotope
292combination for each element in phase</td>
293</tr>
294<tr class="row-even"><td></td>
295<td>Name</td>
296<td>phase name (str)</td>
297</tr>
298<tr class="row-odd"><td></td>
299<td>SGData</td>
300<td>Space group details,
301as defined in <a class="reference internal" href="GSASIIutil.html#module-GSASIIspc" title="GSASIIspc"><tt class="xref py py-mod docutils literal"><span class="pre">GSASIIspc</span></tt></a> as  <a class="reference internal" href="#sgdata-table"><em>SGData definition</em></a></td>
302</tr>
303<tr class="row-even"><td></td>
304<td>Pawley neg wt</td>
305<td>Restraint value for negative Pawley intensities
306(float)</td>
307</tr>
308<tr class="row-odd"><td></td>
309<td>Flip</td>
310<td>Charge flip controls dict?</td>
311</tr>
312<tr class="row-even"><td></td>
313<td>Data plot type</td>
314<td>?</td>
315</tr>
316<tr class="row-odd"><td></td>
317<td>Mass</td>
318<td>Mass of unit cell contents in g/mol</td>
319</tr>
320<tr class="row-even"><td></td>
321<td>POhkl</td>
322<td>March-Dollase preferred orientation direction</td>
323</tr>
324<tr class="row-odd"><td></td>
325<td>Z</td>
326<td>?</td>
327</tr>
328<tr class="row-even"><td></td>
329<td>vdWRadii</td>
330<td>?</td>
331</tr>
332<tr class="row-odd"><td></td>
333<td>Color</td>
334<td>Colors for atoms (list of (r,b,g) triplets)</td>
335</tr>
336<tr class="row-even"><td></td>
337<td>AtomTypes</td>
338<td>List of atom types</td>
339</tr>
340<tr class="row-odd"><td></td>
341<td>AtomMass</td>
342<td>List of masses for atoms</td>
343</tr>
344<tr class="row-even"><td></td>
345<td>doPawley</td>
346<td>Flag for Pawley intensity extraction (bool)</td>
347</tr>
348<tr class="row-odd"><td></td>
349<td>NoAtoms</td>
350<td>Number of atoms per unit cell of each type (dict)</td>
351</tr>
352<tr class="row-even"><td></td>
353<td>Pawley dmin</td>
354<td>maximum Q (as d-space) to use for Pawley
355extraction (float)</td>
356</tr>
357<tr class="row-odd"><td></td>
358<td>BondRadii</td>
359<td>Radius for each atom used to compute
360interatomic distances (list of floats)</td>
361</tr>
362<tr class="row-even"><td></td>
363<td>AngleRadii</td>
364<td>Radius for each atom used to compute
365interatomic angles (list of floats)</td>
366</tr>
367<tr class="row-odd"><td>ranId</td>
368<td></td>
369<td>unique random number Id for phase (int)</td>
370</tr>
371<tr class="row-even"><td>pId</td>
372<td></td>
373<td>? (int)</td>
374</tr>
375<tr class="row-odd"><td>Atoms</td>
376<td></td>
377<td>Atoms in phase as a list of lists. The outer list
378is for each atom, the inner list contains 18
379items:
3800) atom label, 1) the atom type,
3812) the refinement flags, 3-6) x, y, z, frac
3827) site symmetry, 8) site multiplicity,
3839) &#8216;I&#8217; or &#8216;A&#8217; for iso/anisotropic,
38410) Uiso, 10-16) Uij, 16) unique Id #.
385(list of lists)</td>
386</tr>
387<tr class="row-even"><td>Drawing</td>
388<td></td>
389<td>Display parameters (dict)</td>
390</tr>
391<tr class="row-odd"><td></td>
392<td>ballScale</td>
393<td>Size of spheres in ball-and-stick display (float)</td>
394</tr>
395<tr class="row-even"><td></td>
396<td>bondList</td>
397<td>dict with bonds</td>
398</tr>
399<tr class="row-odd"><td></td>
400<td>contourLevel</td>
401<td>? (float)</td>
402</tr>
403<tr class="row-even"><td></td>
404<td>showABC</td>
405<td>Flag to show view point triplet (bool). True=show.</td>
406</tr>
407<tr class="row-odd"><td></td>
408<td>viewDir</td>
409<td>cartesian viewing direction (np.array with three
410elements)</td>
411</tr>
412<tr class="row-even"><td></td>
413<td>Zclip</td>
414<td>clipping distance in A (float)</td>
415</tr>
416<tr class="row-odd"><td></td>
417<td>backColor</td>
418<td>background for plot as and R,G,B triplet
419(default = [0, 0, 0], black).
420(list with three atoms)</td>
421</tr>
422<tr class="row-even"><td></td>
423<td>selectedAtoms</td>
424<td>List of selected atoms (list of int values)</td>
425</tr>
426<tr class="row-odd"><td></td>
427<td>showRigidBodies</td>
428<td>Flag to highlight rigid body placement</td>
429</tr>
430<tr class="row-even"><td></td>
431<td>sizeH</td>
432<td>Size ratio for H atoms (float)</td>
433</tr>
434<tr class="row-odd"><td></td>
435<td>bondRadius</td>
436<td>Size of binds in A (float)</td>
437</tr>
438<tr class="row-even"><td></td>
439<td>atomPtrs</td>
440<td>? (list)</td>
441</tr>
442<tr class="row-odd"><td></td>
443<td>viewPoint</td>
444<td>list of lists. First item in list is [x,y,z]
445in fractional coordinates for the center of
446the plot. Second item ?.</td>
447</tr>
448<tr class="row-even"><td></td>
449<td>showHydrogen</td>
450<td>Flag to control plotting of H atoms.</td>
451</tr>
452<tr class="row-odd"><td></td>
453<td>unitCellBox</td>
454<td>Flag to control display of the unit cell.</td>
455</tr>
456<tr class="row-even"><td></td>
457<td>ellipseProb</td>
458<td>Probability limit for display of thermal
459ellipsoids in % (float).</td>
460</tr>
461<tr class="row-odd"><td></td>
462<td>vdwScale</td>
463<td>Multiplier of van der Waals radius for
464display of vdW spheres.</td>
465</tr>
466<tr class="row-even"><td></td>
467<td>Atoms</td>
468<td>A list of lists with an entry for each atom
469that is plotted.</td>
470</tr>
471<tr class="row-odd"><td></td>
472<td>Zstep</td>
473<td>Step to de/increase Z-clip (float)</td>
474</tr>
475<tr class="row-even"><td></td>
476<td>Quaternion</td>
477<td>Viewing quaternion (4 element np.array)</td>
478</tr>
479<tr class="row-odd"><td></td>
480<td>radiusFactor</td>
481<td>Distance ratio for searching for bonds. ? Bonds
482are located that are within r(Ra+Rb) and (Ra+Rb)/r
483where Ra and Rb are the atomic radii.</td>
484</tr>
485<tr class="row-even"><td></td>
486<td>oldxy</td>
487<td>? (list with two floats)</td>
488</tr>
489<tr class="row-odd"><td></td>
490<td>cameraPos</td>
491<td>Viewing position in A for plot (float)</td>
492</tr>
493<tr class="row-even"><td></td>
494<td>depthFog</td>
495<td>? (bool)</td>
496</tr>
497<tr class="row-odd"><td>RBModels</td>
498<td></td>
499<td>Rigid body assignments (note Rigid body definitions
500are stored in their own main top-level tree entry.)</td>
501</tr>
502<tr class="row-even"><td>Pawley ref</td>
503<td></td>
504<td>Pawley reflections</td>
505</tr>
506<tr class="row-odd"><td>Histograms</td>
507<td></td>
508<td>A dict of dicts. The key for the outer dict is
509the histograms tied to this phase. The inner
510dict contains the combined phase/histogram
511parameters for items such as scale factors,
512size and strain parameters. (dict)</td>
513</tr>
514<tr class="row-even"><td>MCSA</td>
515<td></td>
516<td>Monte-Carlo simulated annealing parameters</td>
517</tr>
518</tbody>
519</table>
520</div>
521<div class="section" id="space-group-objects">
522<h2>Space Group Objects<a class="headerlink" href="#space-group-objects" title="Permalink to this headline">¶</a></h2>
523<span class="target" id="sgdata-table"></span><p id="index-4">Space groups are interpreted by <a class="reference internal" href="GSASIIutil.html#GSASIIspc.SpcGroup" title="GSASIIspc.SpcGroup"><tt class="xref py py-func docutils literal"><span class="pre">GSASIIspc.SpcGroup()</span></tt></a> 
524and the information is placed in a SGdata object,
525which is a dict with these keys:</p>
526<table border="1" class="docutils">
527<colgroup>
528<col width="16%" />
529<col width="84%" />
530</colgroup>
531<thead valign="bottom">
532<tr class="row-odd"><th class="head">key</th>
533<th class="head">explanation</th>
534</tr>
535</thead>
536<tbody valign="top">
537<tr class="row-even"><td>SpGrp</td>
538<td>space group symbol (str)</td>
539</tr>
540<tr class="row-odd"><td>Laue</td>
541<td>one of the following 14 Laue classes:
542-1, 2/m, mmm, 4/m, 4/mmm, 3R,
5433mR, 3, 3m1, 31m, 6/m, 6/mmm, m3, m3m (str)</td>
544</tr>
545<tr class="row-even"><td>SGInv</td>
546<td>True if centrosymmetric, False if not (bool)</td>
547</tr>
548<tr class="row-odd"><td>SGLatt</td>
549<td>Lattice centering type. Will be one of
550P, A, B, C, I, F, R (str)</td>
551</tr>
552<tr class="row-even"><td>SGUniq</td>
553<td>unique axis if monoclinic. Will be
554a, b, or c for monoclinic space groups.
555Will be blank for non-monoclinic. (str)</td>
556</tr>
557<tr class="row-odd"><td>SGCen</td>
558<td>Symmetry cell centering vectors. A (n,3) np.array
559of centers. Will always have at least one row:
560<tt class="docutils literal"><span class="pre">np.array([[0,</span> <span class="pre">0,</span> <span class="pre">0]])</span></tt></td>
561</tr>
562<tr class="row-even"><td>SGOps</td>
563<td>symmetry operations as a list in form
564[[M1,T1],[M2,T2,...] where Mn is a 3x3 np.array
565and T is a length 3 np.array.
566Atom coordinates are transformed where the
567Asymmetric unit coordinates [X=(x,y,z)] are
568transformed using <tt class="docutils literal"><span class="pre">M*X+T</span> <span class="pre">==&gt;</span> <span class="pre">X'</span></tt></td>
569</tr>
570<tr class="row-odd"><td>SGSys</td>
571<td>symmetry unit cell: type one of
572&#8216;triclinic&#8217;, &#8216;monoclinic&#8217;, &#8216;orthorhombic&#8217;,
573&#8216;tetragonal&#8217;, &#8216;rhombohedral&#8217;, &#8216;trigonal&#8217;,
574&#8216;hexagonal&#8217;, &#8216;cubic&#8217; (str)</td>
575</tr>
576<tr class="row-even"><td>SGPolax</td>
577<td>Axes for space group polarity. Will be one of
578&#8216;&#8217;, &#8216;x&#8217;, &#8216;y&#8217;, &#8216;x y&#8217;, &#8216;z&#8217;, &#8216;x z&#8217;, &#8216;y z&#8217;,
579&#8216;xyz&#8217;. In the case where axes are arbitrary
580&#8216;111&#8217; is used (P 1, and ?).</td>
581</tr>
582</tbody>
583</table>
584<dl class="function">
585<dt id="GSASIIobj.LoadHistogramIDs">
586<tt class="descclassname">GSASIIobj.</tt><tt class="descname">LoadHistogramIDs</tt><big>(</big><em>histList</em>, <em>idList</em><big>)</big><a class="reference internal" href="_modules/GSASIIobj.html#LoadHistogramIDs"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIobj.LoadHistogramIDs" title="Permalink to this definition">¶</a></dt>
587<dd><p>Save the Id values for a series of histograms</p>
588</dd></dl>
589
590<dl class="class">
591<dt id="GSASIIobj.VarName">
592<em class="property">class </em><tt class="descclassname">GSASIIobj.</tt><tt class="descname">VarName</tt><big>(</big><em>*args</em><big>)</big><a class="reference internal" href="_modules/GSASIIobj.html#VarName"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIobj.VarName" title="Permalink to this definition">¶</a></dt>
593<dd><p>Defines a GSAS-II variable either using the phase/atom/histogram
594unique Id numbers or using a character string that specifies
595variables by phase/atom/histogram number (which can change).
596Note that <tt class="xref py py-func docutils literal"><span class="pre">LoadID()</span></tt> should be used to (re)load the current Ids
597before creating or later using the VarName object.</p>
598<p>A <a class="reference internal" href="#GSASIIobj.VarName" title="GSASIIobj.VarName"><tt class="xref py py-class docutils literal"><span class="pre">VarName</span></tt></a> object can be created with a single parameter:</p>
599<table class="docutils field-list" frame="void" rules="none">
600<col class="field-name" />
601<col class="field-body" />
602<tbody valign="top">
603<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><strong>varname</strong> (<em>str</em>) &#8211; <dl class="docutils">
604<dt>a single value can be used to create a <a class="reference internal" href="#GSASIIobj.VarName" title="GSASIIobj.VarName"><tt class="xref py py-class docutils literal"><span class="pre">VarName</span></tt></a></dt>
605<dd>object. The string must be of form &#8220;p:h:var&#8221; or &#8220;p:h:var:a&#8221;, where</dd>
606</dl>
607<ul class="simple">
608<li>p is the phase number (which may be left blank);</li>
609<li>h is the histogram number (which may be left blank);</li>
610<li>a is the atom number (which may be left blank in which case the third colon is omitted).</li>
611</ul>
612</td>
613</tr>
614</tbody>
615</table>
616<p>Alternately, a <a class="reference internal" href="#GSASIIobj.VarName" title="GSASIIobj.VarName"><tt class="xref py py-class docutils literal"><span class="pre">VarName</span></tt></a> object can be created with exactly four positional parameters:</p>
617<table class="docutils field-list" frame="void" rules="none">
618<col class="field-name" />
619<col class="field-body" />
620<tbody valign="top">
621<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
622<li><strong>phasenum</strong> (<em>int</em>) &#8211; The number for the phase</li>
623<li><strong>histnum</strong> (<em>int</em>) &#8211; The number for the histogram</li>
624<li><strong>varname</strong> (<em>str</em>) &#8211; a single value can be used to create a <a class="reference internal" href="#GSASIIobj.VarName" title="GSASIIobj.VarName"><tt class="xref py py-class docutils literal"><span class="pre">VarName</span></tt></a></li>
625<li><strong>atomnum</strong> (<em>int</em>) &#8211; The number for the atom</li>
626</ul>
627</td>
628</tr>
629</tbody>
630</table>
631<dl class="method">
632<dt id="GSASIIobj.VarName.fullDescr">
633<tt class="descname">fullDescr</tt><big>(</big><big>)</big><a class="reference internal" href="_modules/GSASIIobj.html#VarName.fullDescr"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIobj.VarName.fullDescr" title="Permalink to this definition">¶</a></dt>
634<dd><p>Return a longer description for a GSAS-II variable</p>
635<table class="docutils field-list" frame="void" rules="none">
636<col class="field-name" />
637<col class="field-body" />
638<tbody valign="top">
639<tr class="field-odd field"><th class="field-name">Returns:</th><td class="field-body">a short description or &#8216;no definition&#8217; if not found</td>
640</tr>
641</tbody>
642</table>
643</dd></dl>
644
645<dl class="method">
646<dt id="GSASIIobj.VarName.getDescr">
647<tt class="descname">getDescr</tt><big>(</big><big>)</big><a class="reference internal" href="_modules/GSASIIobj.html#VarName.getDescr"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIobj.VarName.getDescr" title="Permalink to this definition">¶</a></dt>
648<dd><p>Return a short description for a GSAS-II variable</p>
649<table class="docutils field-list" frame="void" rules="none">
650<col class="field-name" />
651<col class="field-body" />
652<tbody valign="top">
653<tr class="field-odd field"><th class="field-name">Returns:</th><td class="field-body">a short description or &#8216;no definition&#8217; if not found</td>
654</tr>
655</tbody>
656</table>
657</dd></dl>
658
659<dl class="method">
660<dt id="GSASIIobj.VarName.name">
661<tt class="descname">name</tt><big>(</big><big>)</big><a class="reference internal" href="_modules/GSASIIobj.html#VarName.name"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIobj.VarName.name" title="Permalink to this definition">¶</a></dt>
662<dd><p>Formats the GSAS-II variable name as a &#8220;traditional&#8221; string (p:h:&lt;var&gt;:a)</p>
663<table class="docutils field-list" frame="void" rules="none">
664<col class="field-name" />
665<col class="field-body" />
666<tbody valign="top">
667<tr class="field-odd field"><th class="field-name">Returns:</th><td class="field-body">the variable name as a str</td>
668</tr>
669</tbody>
670</table>
671</dd></dl>
672
673</dd></dl>
674
675</div>
676</div>
677
678
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682      <div class="sphinxsidebar">
683        <div class="sphinxsidebarwrapper">
684  <h3><a href="index.html">Table Of Contents</a></h3>
685  <ul>
686<li><a class="reference internal" href="#"><em>GSASIIobj: Data objects</em></a><ul>
687<li><a class="reference internal" href="#constraints-tree-item">Constraints Tree Item</a></li>
688<li><a class="reference internal" href="#covariance-tree-item">Covariance Tree Item</a></li>
689<li><a class="reference internal" href="#phase-tree-item">Phase Tree Item</a></li>
690<li><a class="reference internal" href="#space-group-objects">Space Group Objects</a></li>
691</ul>
692</li>
693</ul>
694
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