source: sphinxdocs/build/html/SAS.html @ 2494

Last change on this file since 2494 was 1513, checked in by toby, 11 years ago

update and rebuild docs
  • Property svn:mime-type set to text/html
File size: 34.9 KB
Line 
1<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN"
2  "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
3
4
5<html xmlns="http://www.w3.org/1999/xhtml">
6  <head>
7    <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
8   
9    <title>GSAS-II Small Angle Scattering Submodules &mdash; GSAS-II 0.2.0 documentation</title>
10   
11    <link rel="stylesheet" href="_static/default.css" type="text/css" />
12    <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
13   
14    <script type="text/javascript">
15      var DOCUMENTATION_OPTIONS = {
16        URL_ROOT:    './',
17        VERSION:     '0.2.0',
18        COLLAPSE_INDEX: false,
19        FILE_SUFFIX: '.html',
20        HAS_SOURCE:  true
21      };
22    </script>
23    <script type="text/javascript" src="_static/jquery.js"></script>
24    <script type="text/javascript" src="_static/underscore.js"></script>
25    <script type="text/javascript" src="_static/doctools.js"></script>
26    <script type="text/javascript" src="http://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML"></script>
27    <link rel="top" title="GSAS-II 0.2.0 documentation" href="index.html" />
28    <link rel="next" title="GSAS-II Scripts" href="GSASIIscripts.html" />
29    <link rel="prev" title="GSASII powder calculation module" href="GSASIIpwd.html" /> 
30  </head>
31  <body>
32    <div class="related">
33      <h3>Navigation</h3>
34      <ul>
35        <li class="right" style="margin-right: 10px">
36          <a href="genindex.html" title="General Index"
37             accesskey="I">index</a></li>
38        <li class="right" >
39          <a href="py-modindex.html" title="Python Module Index"
40             >modules</a> |</li>
41        <li class="right" >
42          <a href="GSASIIscripts.html" title="GSAS-II Scripts"
43             accesskey="N">next</a> |</li>
44        <li class="right" >
45          <a href="GSASIIpwd.html" title="GSASII powder calculation module"
46             accesskey="P">previous</a> |</li>
47        <li><a href="index.html">GSAS-II 0.2.0 documentation</a> &raquo;</li> 
48      </ul>
49    </div> 
50
51    <div class="document">
52      <div class="documentwrapper">
53        <div class="bodywrapper">
54          <div class="body">
55           
56  <div class="section" id="module-GSASIIsasd">
57<span id="gsas-ii-small-angle-scattering-submodules"></span><h1><em>GSAS-II Small Angle Scattering Submodules</em><a class="headerlink" href="#module-GSASIIsasd" title="Permalink to this headline">¶</a></h1>
58<div class="section" id="gsasii-small-angle-calculation-module">
59<h2><em>GSASII small angle calculation module</em><a class="headerlink" href="#gsasii-small-angle-calculation-module" title="Permalink to this headline">¶</a></h2>
60<dl class="function">
61<dt id="GSASIIsasd.CylinderARFF">
62<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">CylinderARFF</tt><big>(</big><em>Q</em>, <em>R</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#CylinderARFF"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.CylinderARFF" title="Permalink to this definition">¶</a></dt>
63<dd><p>Compute form factor for cylinders - can use numpy arrays
64param float Q: Q value array (A-1)
65param float R: cylinder radius (A)
66param array args: [float AR]: cylinder aspect ratio = L/D = L/2R
67returns float: form factor</p>
68</dd></dl>
69
70<dl class="function">
71<dt id="GSASIIsasd.CylinderARVol">
72<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">CylinderARVol</tt><big>(</big><em>R</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#CylinderARVol"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.CylinderARVol" title="Permalink to this definition">¶</a></dt>
73<dd><p>Compute cylinder volume for radius &amp; aspect ratio = L/D
74- numpy array friendly
75param float: R radius (A)
76param array args: [float AR]: =L/D=L/2R aspect ratio
77returns float:volume</p>
78</dd></dl>
79
80<dl class="function">
81<dt id="GSASIIsasd.CylinderDFF">
82<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">CylinderDFF</tt><big>(</big><em>Q</em>, <em>L</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#CylinderDFF"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.CylinderDFF" title="Permalink to this definition">¶</a></dt>
83<dd><p>Compute form factor for cylinders - can use numpy arrays
84param float Q: Q value array (A-1)
85param float L: cylinder half length (A)
86param array args: [float R]: cylinder radius (A)
87returns float: form factor</p>
88</dd></dl>
89
90<dl class="function">
91<dt id="GSASIIsasd.CylinderDVol">
92<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">CylinderDVol</tt><big>(</big><em>L</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#CylinderDVol"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.CylinderDVol" title="Permalink to this definition">¶</a></dt>
93<dd><p>Compute cylinder volume for length &amp; diameter
94- numpy array friendly
95param float: L half length (A)
96param array args: [float D]: diameter (A)
97returns float:volume (A^3)</p>
98</dd></dl>
99
100<dl class="function">
101<dt id="GSASIIsasd.CylinderFF">
102<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">CylinderFF</tt><big>(</big><em>Q</em>, <em>R</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#CylinderFF"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.CylinderFF" title="Permalink to this definition">¶</a></dt>
103<dd><p>Compute form factor for cylinders - can use numpy arrays
104param float Q: Q value array (A-1)
105param float R: cylinder radius (A)
106param array args: [float L]: cylinder length (A)
107returns float: form factor</p>
108</dd></dl>
109
110<dl class="function">
111<dt id="GSASIIsasd.CylinderVol">
112<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">CylinderVol</tt><big>(</big><em>R</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#CylinderVol"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.CylinderVol" title="Permalink to this definition">¶</a></dt>
113<dd><p>Compute cylinder volume for radius &amp; length
114- numpy array friendly
115param float R: diameter (A)
116param array args: [float L]: length (A)
117returns float:volume (A^3)</p>
118</dd></dl>
119
120<dl class="function">
121<dt id="GSASIIsasd.DiluteSF">
122<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">DiluteSF</tt><big>(</big><em>Q</em>, <em>args=</em><span class="optional">[</span><span class="optional">]</span><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#DiluteSF"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.DiluteSF" title="Permalink to this definition">¶</a></dt>
123<dd><p>Default: no structure factor correction for dilute system</p>
124</dd></dl>
125
126<dl class="function">
127<dt id="GSASIIsasd.G_matrix">
128<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">G_matrix</tt><big>(</big><em>q</em>, <em>r</em>, <em>contrast</em>, <em>FFfxn</em>, <em>Volfxn</em>, <em>args=()</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#G_matrix"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.G_matrix" title="Permalink to this definition">¶</a></dt>
129<dd><p>Calculates the response matrix <span class="math">\(G(Q,r)\)</span></p>
130<table class="docutils field-list" frame="void" rules="none">
131<col class="field-name" />
132<col class="field-body" />
133<tbody valign="top">
134<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple">
135<li><strong>q</strong> (<em>float</em>) &#8211; <span class="math">\(Q\)</span></li>
136<li><strong>r</strong> (<em>float</em>) &#8211; <span class="math">\(r\)</span></li>
137<li><strong>contrast</strong> (<em>float</em>) &#8211; <span class="math">\(|\Delta\rho|^2\)</span>, the scattering contrast</li>
138<li><strong>FFfxn</strong> (<em>function</em>) &#8211; form factor function FF(q,r,args)</li>
139<li><strong>Volfxn</strong> (<em>function</em>) &#8211; volume function Vol(r,args)</li>
140</ul>
141</td>
142</tr>
143<tr class="field-even field"><th class="field-name">Returns float:</th><td class="field-body"><p class="first last">G(Q,r)</p>
144</td>
145</tr>
146</tbody>
147</table>
148</dd></dl>
149
150<dl class="function">
151<dt id="GSASIIsasd.GaussCume">
152<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">GaussCume</tt><big>(</big><em>x</em>, <em>pos</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#GaussCume"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.GaussCume" title="Permalink to this definition">¶</a></dt>
153<dd><p>Standard Normal cumulative distribution - numpy friendly on x axis
154param float x: independent axis (can be numpy array)
155param float pos: location of distribution
156param float scale: width of distribution (sigma)
157param float shape: not used
158returns float: Normal cumulative distribution</p>
159</dd></dl>
160
161<dl class="function">
162<dt id="GSASIIsasd.GaussDist">
163<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">GaussDist</tt><big>(</big><em>x</em>, <em>pos</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#GaussDist"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.GaussDist" title="Permalink to this definition">¶</a></dt>
164<dd><p>Standard Normal distribution - numpy friendly on x axis
165param float x: independent axis (can be numpy array)
166param float pos: location of distribution
167param float scale: width of distribution (sigma)
168param float shape: not used
169returns float: Normal distribution</p>
170</dd></dl>
171
172<dl class="function">
173<dt id="GSASIIsasd.HardSpheresSF">
174<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">HardSpheresSF</tt><big>(</big><em>Q</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#HardSpheresSF"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.HardSpheresSF" title="Permalink to this definition">¶</a></dt>
175<dd><p>Computes structure factor for not dilute monodisperse hard spheres
176Refs.: PERCUS,YEVICK PHYS. REV. 110 1 (1958),THIELE J. CHEM PHYS. 39 474 (1968),
177WERTHEIM  PHYS. REV. LETT. 47 1462 (1981)</p>
178<p>param float Q: Q value array (A-1)
179param array args: [float R, float VolFrac]: interparticle distance &amp; volume fraction
180returns numpy array S(Q)</p>
181</dd></dl>
182
183<dl class="function">
184<dt id="GSASIIsasd.IPG">
185<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">IPG</tt><big>(</big><em>datum</em>, <em>sigma</em>, <em>G</em>, <em>Bins</em>, <em>Dbins</em>, <em>IterMax</em>, <em>Qvec=</em>, <span class="optional">[</span><span class="optional">]</span><em>approach=0.8</em>, <em>Power=-1</em>, <em>report=False</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#IPG"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.IPG" title="Permalink to this definition">¶</a></dt>
186<dd><p>An implementation of the Interior-Point Gradient method of
187Michael Merritt &amp; Yin Zhang, Technical Report TR04-08, Dept. of Comp. and
188Appl. Math., Rice Univ., Houston, Texas 77005, U.S.A. found on the web at
189<a class="reference external" href="http://www.caam.rice.edu/caam/trs/2004/TR04-08.pdf">http://www.caam.rice.edu/caam/trs/2004/TR04-08.pdf</a>
190Problem addressed: Total Non-Negative Least Squares (TNNLS)
191:param float datum[]:
192:param float sigma[]:
193:param float[][] G: transformation matrix
194:param int IterMax:
195:param float Qvec: data positions for Power = 0-4
196:param float approach: 0.8 default fitting parameter
197:param int Power: 0-4 for Q^Power weighting, -1 to use input sigma</p>
198</dd></dl>
199
200<dl class="function">
201<dt id="GSASIIsasd.InterPrecipitateSF">
202<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">InterPrecipitateSF</tt><big>(</big><em>Q</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#InterPrecipitateSF"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.InterPrecipitateSF" title="Permalink to this definition">¶</a></dt>
203<dd><p>Computes structure factor for precipitates in a matrix
204Refs.: E-Wen Huang, Peter K. Liaw, Lionel Porcar, Yun Liu, Yee-Lang Liu,
205Ji-Jung Kai, and Wei-Ren Chen,APPLIED PHYSICS LETTERS 93, 161904 (2008)
206R. Giordano, A. Grasso, and J. Teixeira, Phys. Rev. A 43, 6894    1991   
207param float Q: Q value array (A-1)
208param array args: [float R, float VolFr]: &#8220;radius&#8221; &amp; volume fraction
209returns numpy array S(Q)</p>
210</dd></dl>
211
212<dl class="function">
213<dt id="GSASIIsasd.LSWCume">
214<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">LSWCume</tt><big>(</big><em>x</em>, <em>pos</em>, <em>args=</em><span class="optional">[</span><span class="optional">]</span><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#LSWCume"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.LSWCume" title="Permalink to this definition">¶</a></dt>
215<dd><p>Lifshitz-Slyozov-Wagner Ostwald ripening cumulative distribution - numpy friendly on x axis
216param float x: independent axis (can be numpy array)
217param float pos: location of distribution
218param float scale: not used
219param float shape: not used
220returns float: LSW cumulative distribution</p>
221</dd></dl>
222
223<dl class="function">
224<dt id="GSASIIsasd.LSWDist">
225<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">LSWDist</tt><big>(</big><em>x</em>, <em>pos</em>, <em>args=</em><span class="optional">[</span><span class="optional">]</span><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#LSWDist"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.LSWDist" title="Permalink to this definition">¶</a></dt>
226<dd><p>Lifshitz-Slyozov-Wagner Ostwald ripening distribution - numpy friendly on x axis
227ref:
228param float x: independent axis (can be numpy array)
229param float pos: location of distribution
230param float scale: not used
231param float shape: not used
232returns float: LSW distribution</p>
233</dd></dl>
234
235<dl class="function">
236<dt id="GSASIIsasd.LogNormalCume">
237<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">LogNormalCume</tt><big>(</big><em>x</em>, <em>pos</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#LogNormalCume"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.LogNormalCume" title="Permalink to this definition">¶</a></dt>
238<dd><p>Standard LogNormal cumulative distribution - numpy friendly on x axis
239ref: <a class="reference external" href="http://www.itl.nist.gov/div898/handbook/index.htm">http://www.itl.nist.gov/div898/handbook/index.htm</a> 1.3.6.6.9
240param float x: independent axis (can be numpy array)
241param float pos: location of distribution
242param float scale: width of distribution (sigma)
243param float shape: shape parameter
244returns float: LogNormal cumulative distribution</p>
245</dd></dl>
246
247<dl class="function">
248<dt id="GSASIIsasd.LogNormalDist">
249<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">LogNormalDist</tt><big>(</big><em>x</em>, <em>pos</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#LogNormalDist"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.LogNormalDist" title="Permalink to this definition">¶</a></dt>
250<dd><p>Standard LogNormal distribution - numpy friendly on x axis
251ref: <a class="reference external" href="http://www.itl.nist.gov/div898/handbook/index.htm">http://www.itl.nist.gov/div898/handbook/index.htm</a> 1.3.6.6.9
252param float x: independent axis (can be numpy array)
253param float pos: location of distribution
254param float scale: width of distribution (m)
255param float shape: shape - (sigma of log(LogNormal))
256returns float: LogNormal distribution</p>
257</dd></dl>
258
259<dl class="exception">
260<dt id="GSASIIsasd.MaxEntException">
261<em class="property">exception </em><tt class="descclassname">GSASIIsasd.</tt><tt class="descname">MaxEntException</tt><a class="reference internal" href="_modules/GSASIIsasd.html#MaxEntException"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.MaxEntException" title="Permalink to this definition">¶</a></dt>
262<dd><p>Any exception from this module</p>
263</dd></dl>
264
265<dl class="function">
266<dt id="GSASIIsasd.MaxEnt_SB">
267<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">MaxEnt_SB</tt><big>(</big><em>datum</em>, <em>sigma</em>, <em>G</em>, <em>base</em>, <em>IterMax</em>, <em>image_to_data=None</em>, <em>data_to_image=None</em>, <em>report=False</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#MaxEnt_SB"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.MaxEnt_SB" title="Permalink to this definition">¶</a></dt>
268<dd><p>do the complete Maximum Entropy algorithm of Skilling and Bryan</p>
269<table class="docutils field-list" frame="void" rules="none">
270<col class="field-name" />
271<col class="field-body" />
272<tbody valign="top">
273<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple">
274<li><strong>datum[]</strong> (<em>float</em>) &#8211; </li>
275<li><strong>sigma[]</strong> (<em>float</em>) &#8211; </li>
276<li><strong>G</strong> (<em>float[][]</em>) &#8211; transformation matrix</li>
277<li><strong>base[]</strong> (<em>float</em>) &#8211; </li>
278<li><strong>IterMax</strong> (<em>int</em>) &#8211; </li>
279<li><strong>image_to_data</strong> (<em>obj</em>) &#8211; opus function (defaults to opus)</li>
280<li><strong>data_to_image</strong> (<em>obj</em>) &#8211; tropus function (defaults to tropus)</li>
281</ul>
282</td>
283</tr>
284<tr class="field-even field"><th class="field-name" colspan="2">Returns float[]:</th></tr>
285<tr class="field-even field"><td>&nbsp;</td><td class="field-body"><p class="first last"><span class="math">\(f(r) dr\)</span></p>
286</td>
287</tr>
288</tbody>
289</table>
290</dd></dl>
291
292<dl class="function">
293<dt id="GSASIIsasd.SchulzZimmCume">
294<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">SchulzZimmCume</tt><big>(</big><em>x</em>, <em>pos</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#SchulzZimmCume"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.SchulzZimmCume" title="Permalink to this definition">¶</a></dt>
295<dd><p>Schulz-Zimm cumulative distribution - numpy friendly on x axis
296param float x: independent axis (can be numpy array)
297param float pos: location of distribution
298param float scale: width of distribution (sigma)
299param float shape: not used
300returns float: Normal distribution</p>
301</dd></dl>
302
303<dl class="function">
304<dt id="GSASIIsasd.SchulzZimmDist">
305<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">SchulzZimmDist</tt><big>(</big><em>x</em>, <em>pos</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#SchulzZimmDist"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.SchulzZimmDist" title="Permalink to this definition">¶</a></dt>
306<dd><p>Schulz-Zimm macromolecule distribution - numpy friendly on x axis
307ref: <a class="reference external" href="http://goldbook.iupac.org/S05502.html">http://goldbook.iupac.org/S05502.html</a>
308param float x: independent axis (can be numpy array)
309param float pos: location of distribution
310param float scale: width of distribution (sigma)
311param float shape: not used
312returns float: Schulz-Zimm distribution</p>
313</dd></dl>
314
315<dl class="function">
316<dt id="GSASIIsasd.SphereFF">
317<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">SphereFF</tt><big>(</big><em>Q</em>, <em>R</em>, <em>args=()</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#SphereFF"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.SphereFF" title="Permalink to this definition">¶</a></dt>
318<dd><p>Compute hard sphere form factor - can use numpy arrays
319param float Q: Q value array (usually in A-1)
320param float R: sphere radius (Usually in A - must match Q-1 units)
321param array args: ignored
322returns float: form factors as array as needed</p>
323</dd></dl>
324
325<dl class="function">
326<dt id="GSASIIsasd.SphereVol">
327<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">SphereVol</tt><big>(</big><em>R</em>, <em>args=()</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#SphereVol"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.SphereVol" title="Permalink to this definition">¶</a></dt>
328<dd><p>Compute volume of sphere
329- numpy array friendly
330param float R: sphere radius
331param array args: ignored
332returns float: volume</p>
333</dd></dl>
334
335<dl class="function">
336<dt id="GSASIIsasd.SpheroidFF">
337<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">SpheroidFF</tt><big>(</big><em>Q</em>, <em>R</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#SpheroidFF"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.SpheroidFF" title="Permalink to this definition">¶</a></dt>
338<dd><p>Compute form factor of cylindrically symmetric ellipsoid (spheroid)
339- can use numpy arrays for R &amp; AR; will return corresponding numpy array
340param float Q : Q value array (usually in A-1)
341param float R: radius along 2 axes of spheroid
342param array args: [float AR]: aspect ratio so 3rd axis = R*AR
343returns float: form factors as array as needed</p>
344</dd></dl>
345
346<dl class="function">
347<dt id="GSASIIsasd.SpheroidVol">
348<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">SpheroidVol</tt><big>(</big><em>R</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#SpheroidVol"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.SpheroidVol" title="Permalink to this definition">¶</a></dt>
349<dd><p>Compute volume of cylindrically symmetric ellipsoid (spheroid)
350- numpy array friendly
351param float R: radius along 2 axes of spheroid
352param array args: [float AR]: aspect ratio so radius of 3rd axis = R*AR
353returns float: volume</p>
354</dd></dl>
355
356<dl class="function">
357<dt id="GSASIIsasd.SquareWellSF">
358<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">SquareWellSF</tt><big>(</big><em>Q</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#SquareWellSF"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.SquareWellSF" title="Permalink to this definition">¶</a></dt>
359<dd><p>Computes structure factor for not dilute monodisperse hard sphere with a
360square well potential interaction.
361Refs.: SHARMA,SHARMA, PHYSICA 89A,(1977),213-</p>
362<table class="docutils field-list" frame="void" rules="none">
363<col class="field-name" />
364<col class="field-body" />
365<tbody valign="top">
366<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple">
367<li><strong>Q</strong> (<em>float</em>) &#8211; Q value array (A-1)</li>
368<li><strong>args</strong> (<em>array</em>) &#8211; [float R, float VolFrac, float depth, float width]:
369interparticle distance, volume fraction (&lt;0.08), well depth (e/kT&lt;1.5kT),
370well width</li>
371</ul>
372</td>
373</tr>
374<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last">numpy array S(Q)
375well depth &gt; 0 attractive &amp; values outside above limits nonphysical cf.
376Monte Carlo simulations</p>
377</td>
378</tr>
379</tbody>
380</table>
381</dd></dl>
382
383<dl class="function">
384<dt id="GSASIIsasd.StickyHardSpheresSF">
385<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">StickyHardSpheresSF</tt><big>(</big><em>Q</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#StickyHardSpheresSF"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.StickyHardSpheresSF" title="Permalink to this definition">¶</a></dt>
386<dd><p>Computes structure factor for not dilute monodisperse hard spheres
387Refs.: PERCUS,YEVICK PHYS. REV. 110 1 (1958),THIELE J. CHEM PHYS. 39 474 (1968),
388WERTHEIM  PHYS. REV. LETT. 47 1462 (1981)</p>
389<p>param float Q: Q value array (A-1)
390param array args: [float R, float VolFrac]: sphere radius &amp; volume fraction
391returns numpy array S(Q)</p>
392</dd></dl>
393
394<dl class="function">
395<dt id="GSASIIsasd.UniDiskFF">
396<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">UniDiskFF</tt><big>(</big><em>Q</em>, <em>R</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#UniDiskFF"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.UniDiskFF" title="Permalink to this definition">¶</a></dt>
397<dd><p>Compute form factor for unified disk - can use numpy arrays
398param float Q: Q value array (A-1)
399param float R: cylinder radius (A)
400param array args: [float T]: disk thickness (A)
401returns float: form factor</p>
402</dd></dl>
403
404<dl class="function">
405<dt id="GSASIIsasd.UniDiskVol">
406<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">UniDiskVol</tt><big>(</big><em>R</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#UniDiskVol"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.UniDiskVol" title="Permalink to this definition">¶</a></dt>
407<dd><p>Compute disk volume for radius &amp; thickness
408- numpy array friendly
409param float R: diameter (A)
410param array args: [float T]: thickness
411returns float:volume (A^3)</p>
412</dd></dl>
413
414<dl class="function">
415<dt id="GSASIIsasd.UniRodARFF">
416<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">UniRodARFF</tt><big>(</big><em>Q</em>, <em>R</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#UniRodARFF"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.UniRodARFF" title="Permalink to this definition">¶</a></dt>
417<dd><p>Compute form factor for unified rod of fixed aspect ratio - can use numpy arrays
418param float Q: Q value array (A-1)
419param float R: cylinder radius (A)
420param array args: [float AR]: cylinder aspect ratio = L/D = L/2R
421returns float: form factor</p>
422</dd></dl>
423
424<dl class="function">
425<dt id="GSASIIsasd.UniRodARVol">
426<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">UniRodARVol</tt><big>(</big><em>R</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#UniRodARVol"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.UniRodARVol" title="Permalink to this definition">¶</a></dt>
427<dd><p>Compute rod volume for radius &amp; aspect ratio
428- numpy array friendly
429param float R: diameter (A)
430param array args: [float AR]: =L/D=L/2R aspect ratio
431returns float:volume (A^3)</p>
432</dd></dl>
433
434<dl class="function">
435<dt id="GSASIIsasd.UniRodFF">
436<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">UniRodFF</tt><big>(</big><em>Q</em>, <em>R</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#UniRodFF"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.UniRodFF" title="Permalink to this definition">¶</a></dt>
437<dd><p>Compute form factor for unified rod - can use numpy arrays
438param float Q: Q value array (A-1)
439param float R: cylinder radius (A)
440param array args: [float R]: cylinder radius (A)
441returns float: form factor</p>
442</dd></dl>
443
444<dl class="function">
445<dt id="GSASIIsasd.UniRodVol">
446<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">UniRodVol</tt><big>(</big><em>R</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#UniRodVol"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.UniRodVol" title="Permalink to this definition">¶</a></dt>
447<dd><p>Compute cylinder volume for radius &amp; length
448- numpy array friendly
449param float R: diameter (A)
450param array args: [float L]: length (A)
451returns float:volume (A^3)</p>
452</dd></dl>
453
454<dl class="function">
455<dt id="GSASIIsasd.UniSphereFF">
456<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">UniSphereFF</tt><big>(</big><em>Q</em>, <em>R</em>, <em>args=0</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#UniSphereFF"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.UniSphereFF" title="Permalink to this definition">¶</a></dt>
457<dd><p>Compute form factor for unified sphere - can use numpy arrays
458param float Q: Q value array (A-1)
459param float R: cylinder radius (A)
460param array args: ignored
461returns float: form factor</p>
462</dd></dl>
463
464<dl class="function">
465<dt id="GSASIIsasd.UniSphereVol">
466<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">UniSphereVol</tt><big>(</big><em>R</em>, <em>args=()</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#UniSphereVol"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.UniSphereVol" title="Permalink to this definition">¶</a></dt>
467<dd><p>Compute volume of sphere
468- numpy array friendly
469param float R: sphere radius
470param array args: ignored
471returns float: volume</p>
472</dd></dl>
473
474<dl class="function">
475<dt id="GSASIIsasd.UniTubeFF">
476<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">UniTubeFF</tt><big>(</big><em>Q</em>, <em>R</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#UniTubeFF"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.UniTubeFF" title="Permalink to this definition">¶</a></dt>
477<dd><p>Compute form factor for unified tube - can use numpy arrays
478assumes that core of tube is same as the matrix/solvent so contrast
479is from tube wall vs matrix
480param float Q: Q value array (A-1)
481param float R: cylinder radius (A)
482param array args: [float L,T]: tube length &amp; wall thickness(A)
483returns float: form factor</p>
484</dd></dl>
485
486<dl class="function">
487<dt id="GSASIIsasd.UniTubeVol">
488<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">UniTubeVol</tt><big>(</big><em>R</em>, <em>args</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#UniTubeVol"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.UniTubeVol" title="Permalink to this definition">¶</a></dt>
489<dd><p>Compute tube volume for radius, length &amp; wall thickness
490- numpy array friendly
491param float R: diameter (A)
492param array args: [float L,T]: tube length &amp; wall thickness(A)
493returns float: volume (A^3) of tube wall</p>
494</dd></dl>
495
496<dl class="function">
497<dt id="GSASIIsasd.print_arr">
498<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">print_arr</tt><big>(</big><em>text</em>, <em>a</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#print_arr"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.print_arr" title="Permalink to this definition">¶</a></dt>
499<dd><p>print the contents of an array to the console</p>
500</dd></dl>
501
502<dl class="function">
503<dt id="GSASIIsasd.print_vec">
504<tt class="descclassname">GSASIIsasd.</tt><tt class="descname">print_vec</tt><big>(</big><em>text</em>, <em>a</em><big>)</big><a class="reference internal" href="_modules/GSASIIsasd.html#print_vec"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIsasd.print_vec" title="Permalink to this definition">¶</a></dt>
505<dd><p>print the contents of a vector to the console</p>
506</dd></dl>
507
508</div>
509<span class="target" id="module-Substances"></span><div class="section" id="substances-define-materials">
510<h2><em>Substances: Define Materials</em><a class="headerlink" href="#substances-define-materials" title="Permalink to this headline">¶</a></h2>
511<p>Defines materials commonly found in small angle &amp; reflectometry experiments.
512GSASII substances as a dictionary &#8216;&#8217;Substances.Substances&#8217;&#8217; with these materials.</p>
513<p>Each entry in &#8216;&#8217;Substances&#8217;&#8217; consists of:</p>
514<div class="highlight-python"><div class="highlight"><pre>&#39;key&#39;:{&#39;Elements&#39;:{element:{&#39;Num&#39;:number in formula},...},&#39;Density&#39;:value, &#39;Volume&#39;:,value}
515</pre></div>
516</div>
517<p>Density &amp; Volume are optional, if one missing it is calculated from the other; if both
518are missing then Volume is estimated from composition &amp; assuming 10A^3 for each atom,
519Density is calculated from that Volume.
520See examples below for what is needed.</p>
521</div>
522</div>
523
524
525          </div>
526        </div>
527      </div>
528      <div class="sphinxsidebar">
529        <div class="sphinxsidebarwrapper">
530            <p class="logo"><a href="index.html">
531              <img class="logo" src="_static/G2_html_logo.png" alt="Logo"/>
532            </a></p>
533  <h3><a href="index.html">Table Of Contents</a></h3>
534  <ul>
535<li><a class="reference internal" href="#"><em>GSAS-II Small Angle Scattering Submodules</em></a><ul>
536<li><a class="reference internal" href="#gsasii-small-angle-calculation-module"><em>GSASII small angle calculation module</em></a></li>
537<li><a class="reference internal" href="#substances-define-materials"><em>Substances: Define Materials</em></a></li>
538</ul>
539</li>
540</ul>
541
542  <h4>Previous topic</h4>
543  <p class="topless"><a href="GSASIIpwd.html"
544                        title="previous chapter"><em>GSASII powder calculation module</em></a></p>
545  <h4>Next topic</h4>
546  <p class="topless"><a href="GSASIIscripts.html"
547                        title="next chapter"><em>GSAS-II Scripts</em></a></p>
548  <h3>This Page</h3>
549  <ul class="this-page-menu">
550    <li><a href="_sources/SAS.txt"
551           rel="nofollow">Show Source</a></li>
552  </ul>
553<div id="searchbox" style="display: none">
554  <h3>Quick search</h3>
555    <form class="search" action="search.html" method="get">
556      <input type="text" name="q" />
557      <input type="submit" value="Go" />
558      <input type="hidden" name="check_keywords" value="yes" />
559      <input type="hidden" name="area" value="default" />
560    </form>
561    <p class="searchtip" style="font-size: 90%">
562    Enter search terms or a module, class or function name.
563    </p>
564</div>
565<script type="text/javascript">$('#searchbox').show(0);</script>
566        </div>
567      </div>
568      <div class="clearer"></div>
569    </div>
570    <div class="related">
571      <h3>Navigation</h3>
572      <ul>
573        <li class="right" style="margin-right: 10px">
574          <a href="genindex.html" title="General Index"
575             >index</a></li>
576        <li class="right" >
577          <a href="py-modindex.html" title="Python Module Index"
578             >modules</a> |</li>
579        <li class="right" >
580          <a href="GSASIIscripts.html" title="GSAS-II Scripts"
581             >next</a> |</li>
582        <li class="right" >
583          <a href="GSASIIpwd.html" title="GSASII powder calculation module"
584             >previous</a> |</li>
585        <li><a href="index.html">GSAS-II 0.2.0 documentation</a> &raquo;</li> 
586      </ul>
587    </div>
588    <div class="footer">
589        &copy; Copyright 2013, Von Dreele and Toby for Argonne National Laboratory.
590      Created using <a href="http://sphinx-doc.org/">Sphinx</a> 1.2.2.
591    </div>
592  </body>
593</html>
Note: See TracBrowser for help on using the repository browser.