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51  <h1>Source code for sas.models.CoreShellEllipsoidXTModel</h1><div class="highlight"><pre>
52<span class="c">##############################################################################</span>
53<span class="c"># This software was developed by the University of Tennessee as part of the</span>
54<span class="c"># Distributed Data Analysis of Neutron Scattering Experiments (DANSE)</span>
55<span class="c"># project funded by the US National Science Foundation.</span>
56<span class="c">#</span>
57<span class="c"># If you use DANSE applications to do scientific research that leads to</span>
58<span class="c"># publication, we ask that you acknowledge the use of the software with the</span>
59<span class="c"># following sentence:</span>
60<span class="c">#</span>
61<span class="c"># This work benefited from DANSE software developed under NSF award DMR-0520547</span>
62<span class="c">#</span>
63<span class="c"># Copyright 2008-2011, University of Tennessee</span>
64<span class="c">##############################################################################</span>
65
66<span class="sd">&quot;&quot;&quot; </span>
67<span class="sd">Provide functionality for a C extension model</span>
68
69<span class="sd">.. WARNING::</span>
70
71<span class="sd">   THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY</span>
72<span class="sd">   DO NOT MODIFY THIS FILE, MODIFY</span>
73<span class="sd">   src/sas/models/include/spheroidXT.h</span>
74<span class="sd">   AND RE-RUN THE GENERATOR SCRIPT</span>
75<span class="sd">&quot;&quot;&quot;</span>
76
77<span class="kn">from</span> <span class="nn">sas.models.BaseComponent</span> <span class="kn">import</span> <span class="n">BaseComponent</span>
78<span class="kn">from</span> <span class="nn">sas.models.sas_extension.c_models</span> <span class="kn">import</span> <span class="n">CCoreShellEllipsoidXTModel</span>
79
80<div class="viewcode-block" id="create_CoreShellEllipsoidXTModel"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.CoreShellEllipsoidXTModel.create_CoreShellEllipsoidXTModel">[docs]</a><span class="k">def</span> <span class="nf">create_CoreShellEllipsoidXTModel</span><span class="p">():</span>
81    <span class="sd">&quot;&quot;&quot;</span>
82<span class="sd">       Create a model instance</span>
83<span class="sd">    &quot;&quot;&quot;</span>
84    <span class="n">obj</span> <span class="o">=</span> <span class="n">CoreShellEllipsoidXTModel</span><span class="p">()</span>
85    <span class="c"># CCoreShellEllipsoidXTModel.__init__(obj) is called by</span>
86    <span class="c"># the CoreShellEllipsoidXTModel constructor</span>
87    <span class="k">return</span> <span class="n">obj</span>
88</div>
89<div class="viewcode-block" id="CoreShellEllipsoidXTModel"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.CoreShellEllipsoidXTModel.CoreShellEllipsoidXTModel">[docs]</a><span class="k">class</span> <span class="nc">CoreShellEllipsoidXTModel</span><span class="p">(</span><span class="n">CCoreShellEllipsoidXTModel</span><span class="p">,</span> <span class="n">BaseComponent</span><span class="p">):</span>
90    <span class="sd">&quot;&quot;&quot; </span>
91<span class="sd">    Class that evaluates a CoreShellEllipsoidXTModel model. </span>
92<span class="sd">    This file was auto-generated from src/sas/models/include/spheroidXT.h.</span>
93<span class="sd">    Refer to that file and the structure it contains</span>
94<span class="sd">    for details of the model.</span>
95<span class="sd">    </span>
96<span class="sd">    List of default parameters:</span>
97
98<span class="sd">    * scale           = 0.05 </span>
99<span class="sd">    * equat_core      = 20.0 [A]</span>
100<span class="sd">    * X_core          = 3.0 </span>
101<span class="sd">    * T_shell         = 30.0 [A]</span>
102<span class="sd">    * XpolarShell     = 1.0 </span>
103<span class="sd">    * sld_core        = 2e-06 [1/A^(2)]</span>
104<span class="sd">    * sld_shell       = 1e-06 [1/A^(2)]</span>
105<span class="sd">    * sld_solvent     = 6.3e-06 [1/A^(2)]</span>
106<span class="sd">    * background      = 0.001 [1/cm]</span>
107<span class="sd">    * axis_theta      = 0.0 [deg]</span>
108<span class="sd">    * axis_phi        = 0.0 [deg]</span>
109
110<span class="sd">    &quot;&quot;&quot;</span>
111       
112    <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">multfactor</span><span class="o">=</span><span class="mi">1</span><span class="p">):</span>
113        <span class="sd">&quot;&quot;&quot; Initialization &quot;&quot;&quot;</span>
114        <span class="bp">self</span><span class="o">.</span><span class="n">__dict__</span> <span class="o">=</span> <span class="p">{}</span>
115       
116        <span class="c"># Initialize BaseComponent first, then sphere</span>
117        <span class="n">BaseComponent</span><span class="o">.</span><span class="n">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
118        <span class="c">#apply(CCoreShellEllipsoidXTModel.__init__, (self,)) </span>
119
120        <span class="n">CCoreShellEllipsoidXTModel</span><span class="o">.</span><span class="n">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
121        <span class="bp">self</span><span class="o">.</span><span class="n">is_multifunc</span> <span class="o">=</span> <span class="bp">False</span>
122                       
123        <span class="c">## Name of the model</span>
124        <span class="bp">self</span><span class="o">.</span><span class="n">name</span> <span class="o">=</span> <span class="s">&quot;CoreShellEllipsoidXTModel&quot;</span>
125        <span class="c">## Model description</span>
126        <span class="bp">self</span><span class="o">.</span><span class="n">description</span> <span class="o">=</span> <span class="s">&quot;&quot;&quot;</span>
127<span class="s">        [SpheroidCoreShellModel] Calculates the form factor for an spheroid</span>
128<span class="s">                ellipsoid particle with a core_shell structure.</span>
129<span class="s">                The form factor is averaged over all possible</span>
130<span class="s">                orientations of the ellipsoid such that P(q)</span>
131<span class="s">                = scale*&lt;f^2&gt;/Vol + bkg, where f is the</span>
132<span class="s">                single particle scattering amplitude.</span>
133<span class="s">                [Parameters]:</span>
134<span class="s">                equat_core = equatorial radius of core,</span>
135<span class="s">                polar_core = polar radius of core = equat_core*X_core,</span>
136<span class="s">                equat_shell = equatorial radius of outer surface = equat_core + T_shell,</span>
137<span class="s">                polar_shell = polar radius (revolution axis) of outer surface =  equat_core*X_core + XpolarShell*T_shell</span>
138<span class="s">                sld_core = SLD_core</span>
139<span class="s">                sld_shell = SLD_shell</span>
140<span class="s">                sld_solvent = SLD_solvent</span>
141<span class="s">                background = Incoherent bkg</span>
142<span class="s">                scale =scale</span>
143<span class="s">                Note:It is the users&#39; responsibility to ensure</span>
144<span class="s">                that shell radii are larger than core radii.</span>
145<span class="s">                oblate: polar radius &lt; equatorial radius</span>
146<span class="s">                prolate :  polar radius &gt; equatorial radius - this new model will make this easier</span>
147<span class="s">                and polydispersity integrals more logical (as previously the shell could disappear).</span>
148<span class="s">        &quot;&quot;&quot;</span>
149       
150        <span class="c">## Parameter details [units, min, max]</span>
151        <span class="bp">self</span><span class="o">.</span><span class="n">details</span> <span class="o">=</span> <span class="p">{}</span>
152        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;scale&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;&#39;</span><span class="p">,</span> <span class="bp">None</span><span class="p">,</span> <span class="bp">None</span><span class="p">]</span>
153        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;equat_core&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;[A]&#39;</span><span class="p">,</span> <span class="bp">None</span><span class="p">,</span> <span class="bp">None</span><span class="p">]</span>
154        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;X_core&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;&#39;</span><span class="p">,</span> <span class="bp">None</span><span class="p">,</span> <span class="bp">None</span><span class="p">]</span>
155        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;T_shell&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;[A]&#39;</span><span class="p">,</span> <span class="bp">None</span><span class="p">,</span> <span class="bp">None</span><span class="p">]</span>
156        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;XpolarShell&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;&#39;</span><span class="p">,</span> <span class="bp">None</span><span class="p">,</span> <span class="bp">None</span><span class="p">]</span>
157        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;sld_core&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;[1/A^(2)]&#39;</span><span class="p">,</span> <span class="bp">None</span><span class="p">,</span> <span class="bp">None</span><span class="p">]</span>
158        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;sld_shell&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;[1/A^(2)]&#39;</span><span class="p">,</span> <span class="bp">None</span><span class="p">,</span> <span class="bp">None</span><span class="p">]</span>
159        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;sld_solvent&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;[1/A^(2)]&#39;</span><span class="p">,</span> <span class="bp">None</span><span class="p">,</span> <span class="bp">None</span><span class="p">]</span>
160        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;background&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;[1/cm]&#39;</span><span class="p">,</span> <span class="bp">None</span><span class="p">,</span> <span class="bp">None</span><span class="p">]</span>
161        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;axis_theta&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;[deg]&#39;</span><span class="p">,</span> <span class="bp">None</span><span class="p">,</span> <span class="bp">None</span><span class="p">]</span>
162        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;axis_phi&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;[deg]&#39;</span><span class="p">,</span> <span class="bp">None</span><span class="p">,</span> <span class="bp">None</span><span class="p">]</span>
163
164        <span class="c">## fittable parameters</span>
165        <span class="bp">self</span><span class="o">.</span><span class="n">fixed</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;equat_core.width&#39;</span><span class="p">,</span>
166                      <span class="s">&#39;X_core.width&#39;</span><span class="p">,</span>
167                      <span class="s">&#39;T_shell.width&#39;</span><span class="p">,</span>
168                      <span class="s">&#39;Xpolarshell.width&#39;</span><span class="p">,</span>
169                      <span class="s">&#39;axis_phi.width&#39;</span><span class="p">,</span>
170                      <span class="s">&#39;axis_theta.width&#39;</span><span class="p">]</span>
171       
172        <span class="c">## non-fittable parameters</span>
173        <span class="bp">self</span><span class="o">.</span><span class="n">non_fittable</span> <span class="o">=</span> <span class="p">[]</span>
174       
175        <span class="c">## parameters with orientation</span>
176        <span class="bp">self</span><span class="o">.</span><span class="n">orientation_params</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;axis_phi&#39;</span><span class="p">,</span>
177                                   <span class="s">&#39;axis_theta&#39;</span><span class="p">,</span>
178                                   <span class="s">&#39;axis_phi.width&#39;</span><span class="p">,</span>
179                                   <span class="s">&#39;axis_theta.width&#39;</span><span class="p">]</span>
180
181        <span class="c">## parameters with magnetism</span>
182        <span class="bp">self</span><span class="o">.</span><span class="n">magnetic_params</span> <span class="o">=</span> <span class="p">[]</span>
183
184        <span class="bp">self</span><span class="o">.</span><span class="n">category</span> <span class="o">=</span> <span class="bp">None</span>
185        <span class="bp">self</span><span class="o">.</span><span class="n">multiplicity_info</span> <span class="o">=</span> <span class="bp">None</span>
186       
187    <span class="k">def</span> <span class="nf">__setstate__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">state</span><span class="p">):</span>
188        <span class="sd">&quot;&quot;&quot;</span>
189<span class="sd">        restore the state of a model from pickle</span>
190<span class="sd">        &quot;&quot;&quot;</span>
191        <span class="bp">self</span><span class="o">.</span><span class="n">__dict__</span><span class="p">,</span> <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">,</span> <span class="bp">self</span><span class="o">.</span><span class="n">dispersion</span> <span class="o">=</span> <span class="n">state</span>
192       
193    <span class="k">def</span> <span class="nf">__reduce_ex__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">proto</span><span class="p">):</span>
194        <span class="sd">&quot;&quot;&quot;</span>
195<span class="sd">        Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of </span>
196<span class="sd">        c model.</span>
197<span class="sd">        &quot;&quot;&quot;</span>
198        <span class="n">state</span> <span class="o">=</span> <span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">__dict__</span><span class="p">,</span> <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">,</span> <span class="bp">self</span><span class="o">.</span><span class="n">dispersion</span><span class="p">)</span>
199        <span class="k">return</span> <span class="p">(</span><span class="n">create_CoreShellEllipsoidXTModel</span><span class="p">,</span> <span class="nb">tuple</span><span class="p">(),</span> <span class="n">state</span><span class="p">,</span> <span class="bp">None</span><span class="p">,</span> <span class="bp">None</span><span class="p">)</span>
200       
201<div class="viewcode-block" id="CoreShellEllipsoidXTModel.clone"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.CoreShellEllipsoidXTModel.CoreShellEllipsoidXTModel.clone">[docs]</a>    <span class="k">def</span> <span class="nf">clone</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
202        <span class="sd">&quot;&quot;&quot; Return a identical copy of self &quot;&quot;&quot;</span>
203        <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_clone</span><span class="p">(</span><span class="n">CoreShellEllipsoidXTModel</span><span class="p">())</span>   
204        </div>
205<div class="viewcode-block" id="CoreShellEllipsoidXTModel.run"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.CoreShellEllipsoidXTModel.CoreShellEllipsoidXTModel.run">[docs]</a>    <span class="k">def</span> <span class="nf">run</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x</span><span class="o">=</span><span class="mf">0.0</span><span class="p">):</span>
206        <span class="sd">&quot;&quot;&quot; </span>
207<span class="sd">        Evaluate the model</span>
208<span class="sd">        </span>
209<span class="sd">        :param x: input q, or [q,phi]</span>
210<span class="sd">        </span>
211<span class="sd">        :return: scattering function P(q)</span>
212<span class="sd">        </span>
213<span class="sd">        &quot;&quot;&quot;</span>
214        <span class="k">return</span> <span class="n">CCoreShellEllipsoidXTModel</span><span class="o">.</span><span class="n">run</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x</span><span class="p">)</span>
215   </div>
216<div class="viewcode-block" id="CoreShellEllipsoidXTModel.runXY"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.CoreShellEllipsoidXTModel.CoreShellEllipsoidXTModel.runXY">[docs]</a>    <span class="k">def</span> <span class="nf">runXY</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x</span><span class="o">=</span><span class="mf">0.0</span><span class="p">):</span>
217        <span class="sd">&quot;&quot;&quot; </span>
218<span class="sd">        Evaluate the model in cartesian coordinates</span>
219<span class="sd">        </span>
220<span class="sd">        :param x: input q, or [qx, qy]</span>
221<span class="sd">        </span>
222<span class="sd">        :return: scattering function P(q)</span>
223<span class="sd">        </span>
224<span class="sd">        &quot;&quot;&quot;</span>
225        <span class="k">return</span> <span class="n">CCoreShellEllipsoidXTModel</span><span class="o">.</span><span class="n">runXY</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x</span><span class="p">)</span>
226        </div>
227<div class="viewcode-block" id="CoreShellEllipsoidXTModel.evalDistribution"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.CoreShellEllipsoidXTModel.CoreShellEllipsoidXTModel.evalDistribution">[docs]</a>    <span class="k">def</span> <span class="nf">evalDistribution</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x</span><span class="p">):</span>
228        <span class="sd">&quot;&quot;&quot; </span>
229<span class="sd">        Evaluate the model in cartesian coordinates</span>
230<span class="sd">        </span>
231<span class="sd">        :param x: input q[], or [qx[], qy[]]</span>
232<span class="sd">        </span>
233<span class="sd">        :return: scattering function P(q[])</span>
234<span class="sd">        </span>
235<span class="sd">        &quot;&quot;&quot;</span>
236        <span class="k">return</span> <span class="n">CCoreShellEllipsoidXTModel</span><span class="o">.</span><span class="n">evalDistribution</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x</span><span class="p">)</span>
237        </div>
238<div class="viewcode-block" id="CoreShellEllipsoidXTModel.calculate_ER"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.CoreShellEllipsoidXTModel.CoreShellEllipsoidXTModel.calculate_ER">[docs]</a>    <span class="k">def</span> <span class="nf">calculate_ER</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
239        <span class="sd">&quot;&quot;&quot; </span>
240<span class="sd">        Calculate the effective radius for P(q)*S(q)</span>
241<span class="sd">        </span>
242<span class="sd">        :return: the value of the effective radius</span>
243<span class="sd">        </span>
244<span class="sd">        &quot;&quot;&quot;</span>       
245        <span class="k">return</span> <span class="n">CCoreShellEllipsoidXTModel</span><span class="o">.</span><span class="n">calculate_ER</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
246        </div>
247<div class="viewcode-block" id="CoreShellEllipsoidXTModel.calculate_VR"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.CoreShellEllipsoidXTModel.CoreShellEllipsoidXTModel.calculate_VR">[docs]</a>    <span class="k">def</span> <span class="nf">calculate_VR</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
248        <span class="sd">&quot;&quot;&quot; </span>
249<span class="sd">        Calculate the volf ratio for P(q)*S(q)</span>
250<span class="sd">        </span>
251<span class="sd">        :return: the value of the volf ratio</span>
252<span class="sd">        </span>
253<span class="sd">        &quot;&quot;&quot;</span>       
254        <span class="k">return</span> <span class="n">CCoreShellEllipsoidXTModel</span><span class="o">.</span><span class="n">calculate_VR</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
255              </div>
256<div class="viewcode-block" id="CoreShellEllipsoidXTModel.set_dispersion"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.CoreShellEllipsoidXTModel.CoreShellEllipsoidXTModel.set_dispersion">[docs]</a>    <span class="k">def</span> <span class="nf">set_dispersion</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">parameter</span><span class="p">,</span> <span class="n">dispersion</span><span class="p">):</span>
257        <span class="sd">&quot;&quot;&quot;</span>
258<span class="sd">        Set the dispersion object for a model parameter</span>
259<span class="sd">        </span>
260<span class="sd">        :param parameter: name of the parameter [string]</span>
261<span class="sd">        :param dispersion: dispersion object of type DispersionModel</span>
262<span class="sd">        </span>
263<span class="sd">        &quot;&quot;&quot;</span>
264        <span class="k">return</span> <span class="n">CCoreShellEllipsoidXTModel</span><span class="o">.</span><span class="n">set_dispersion</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span>
265               <span class="n">parameter</span><span class="p">,</span> <span class="n">dispersion</span><span class="o">.</span><span class="n">cdisp</span><span class="p">)</span>
266       
267   
268<span class="c"># End of file</span>
269</pre></div></div></div>
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