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51  <h1>Source code for sas.models.Core2ndMomentModel</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/coresecondmoment.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">CCore2ndMomentModel</span>
79
80<div class="viewcode-block" id="create_Core2ndMomentModel"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.Core2ndMomentModel.create_Core2ndMomentModel">[docs]</a><span class="k">def</span> <span class="nf">create_Core2ndMomentModel</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">Core2ndMomentModel</span><span class="p">()</span>
85    <span class="c"># CCore2ndMomentModel.__init__(obj) is called by</span>
86    <span class="c"># the Core2ndMomentModel constructor</span>
87    <span class="k">return</span> <span class="n">obj</span>
88</div>
89<div class="viewcode-block" id="Core2ndMomentModel"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.Core2ndMomentModel.Core2ndMomentModel">[docs]</a><span class="k">class</span> <span class="nc">Core2ndMomentModel</span><span class="p">(</span><span class="n">CCore2ndMomentModel</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 Core2ndMomentModel model. </span>
92<span class="sd">    This file was auto-generated from src/sas/models/include/coresecondmoment.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           = 1.0 </span>
99<span class="sd">    * density_poly    = 0.7 [g/cm^(3)]</span>
100<span class="sd">    * sld_poly        = 1.5e-06 [1/A^(2)]</span>
101<span class="sd">    * radius_core     = 500.0 [A]</span>
102<span class="sd">    * volf_cores      = 0.14 </span>
103<span class="sd">    * ads_amount      = 1.9 [mg/m^(2)]</span>
104<span class="sd">    * sld_solv        = 6.3e-06 [1/A^(2)]</span>
105<span class="sd">    * second_moment   = 23.0 [A]</span>
106<span class="sd">    * background      = 0.0 [1/cm]</span>
107
108<span class="sd">    &quot;&quot;&quot;</span>
109       
110    <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>
111        <span class="sd">&quot;&quot;&quot; Initialization &quot;&quot;&quot;</span>
112        <span class="bp">self</span><span class="o">.</span><span class="n">__dict__</span> <span class="o">=</span> <span class="p">{}</span>
113       
114        <span class="c"># Initialize BaseComponent first, then sphere</span>
115        <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>
116        <span class="c">#apply(CCore2ndMomentModel.__init__, (self,)) </span>
117
118        <span class="n">CCore2ndMomentModel</span><span class="o">.</span><span class="n">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
119        <span class="bp">self</span><span class="o">.</span><span class="n">is_multifunc</span> <span class="o">=</span> <span class="bp">False</span>
120                       
121        <span class="c">## Name of the model</span>
122        <span class="bp">self</span><span class="o">.</span><span class="n">name</span> <span class="o">=</span> <span class="s">&quot;Core2ndMomentModel&quot;</span>
123        <span class="c">## Model description</span>
124        <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>
125<span class="s">        Calculate CoreSecondMoment Model</span>
126<span class="s">                </span>
127<span class="s">                scale:calibration factor,</span>
128<span class="s">                density_poly: density of the layer</span>
129<span class="s">                sld_poly: the SLD of the layer</span>
130<span class="s">                volf_cores: volume fraction of cores</span>
131<span class="s">                ads_amount: adsorbed amount</span>
132<span class="s">                second_moment: second moment of the layer</span>
133<span class="s">                sld_solv: the SLD of the solvent</span>
134<span class="s">                background</span>
135<span class="s">                </span>
136<span class="s">        &quot;&quot;&quot;</span>
137       
138        <span class="c">## Parameter details [units, min, max]</span>
139        <span class="bp">self</span><span class="o">.</span><span class="n">details</span> <span class="o">=</span> <span class="p">{}</span>
140        <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>
141        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;density_poly&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;[g/cm^(3)]&#39;</span><span class="p">,</span> <span class="bp">None</span><span class="p">,</span> <span class="bp">None</span><span class="p">]</span>
142        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;sld_poly&#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>
143        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;radius_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>
144        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;volf_cores&#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>
145        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;ads_amount&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;[mg/m^(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>
146        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;sld_solv&#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>
147        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;second_moment&#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>
148        <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>
149
150        <span class="c">## fittable parameters</span>
151        <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;radius_core.width&#39;</span><span class="p">]</span>
152       
153        <span class="c">## non-fittable parameters</span>
154        <span class="bp">self</span><span class="o">.</span><span class="n">non_fittable</span> <span class="o">=</span> <span class="p">[]</span>
155       
156        <span class="c">## parameters with orientation</span>
157        <span class="bp">self</span><span class="o">.</span><span class="n">orientation_params</span> <span class="o">=</span> <span class="p">[]</span>
158
159        <span class="c">## parameters with magnetism</span>
160        <span class="bp">self</span><span class="o">.</span><span class="n">magnetic_params</span> <span class="o">=</span> <span class="p">[]</span>
161
162        <span class="bp">self</span><span class="o">.</span><span class="n">category</span> <span class="o">=</span> <span class="bp">None</span>
163        <span class="bp">self</span><span class="o">.</span><span class="n">multiplicity_info</span> <span class="o">=</span> <span class="bp">None</span>
164       
165    <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>
166        <span class="sd">&quot;&quot;&quot;</span>
167<span class="sd">        restore the state of a model from pickle</span>
168<span class="sd">        &quot;&quot;&quot;</span>
169        <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>
170       
171    <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>
172        <span class="sd">&quot;&quot;&quot;</span>
173<span class="sd">        Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of </span>
174<span class="sd">        c model.</span>
175<span class="sd">        &quot;&quot;&quot;</span>
176        <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>
177        <span class="k">return</span> <span class="p">(</span><span class="n">create_Core2ndMomentModel</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>
178       
179<div class="viewcode-block" id="Core2ndMomentModel.clone"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.Core2ndMomentModel.Core2ndMomentModel.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>
180        <span class="sd">&quot;&quot;&quot; Return a identical copy of self &quot;&quot;&quot;</span>
181        <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">Core2ndMomentModel</span><span class="p">())</span>   
182        </div>
183<div class="viewcode-block" id="Core2ndMomentModel.run"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.Core2ndMomentModel.Core2ndMomentModel.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>
184        <span class="sd">&quot;&quot;&quot; </span>
185<span class="sd">        Evaluate the model</span>
186<span class="sd">        </span>
187<span class="sd">        :param x: input q, or [q,phi]</span>
188<span class="sd">        </span>
189<span class="sd">        :return: scattering function P(q)</span>
190<span class="sd">        </span>
191<span class="sd">        &quot;&quot;&quot;</span>
192        <span class="k">return</span> <span class="n">CCore2ndMomentModel</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>
193   </div>
194<div class="viewcode-block" id="Core2ndMomentModel.runXY"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.Core2ndMomentModel.Core2ndMomentModel.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>
195        <span class="sd">&quot;&quot;&quot; </span>
196<span class="sd">        Evaluate the model in cartesian coordinates</span>
197<span class="sd">        </span>
198<span class="sd">        :param x: input q, or [qx, qy]</span>
199<span class="sd">        </span>
200<span class="sd">        :return: scattering function P(q)</span>
201<span class="sd">        </span>
202<span class="sd">        &quot;&quot;&quot;</span>
203        <span class="k">return</span> <span class="n">CCore2ndMomentModel</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>
204        </div>
205<div class="viewcode-block" id="Core2ndMomentModel.evalDistribution"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.Core2ndMomentModel.Core2ndMomentModel.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>
206        <span class="sd">&quot;&quot;&quot; </span>
207<span class="sd">        Evaluate the model in cartesian coordinates</span>
208<span class="sd">        </span>
209<span class="sd">        :param x: input q[], or [qx[], qy[]]</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">CCore2ndMomentModel</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>
215        </div>
216<div class="viewcode-block" id="Core2ndMomentModel.calculate_ER"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.Core2ndMomentModel.Core2ndMomentModel.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>
217        <span class="sd">&quot;&quot;&quot; </span>
218<span class="sd">        Calculate the effective radius for P(q)*S(q)</span>
219<span class="sd">        </span>
220<span class="sd">        :return: the value of the effective radius</span>
221<span class="sd">        </span>
222<span class="sd">        &quot;&quot;&quot;</span>       
223        <span class="k">return</span> <span class="n">CCore2ndMomentModel</span><span class="o">.</span><span class="n">calculate_ER</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
224        </div>
225<div class="viewcode-block" id="Core2ndMomentModel.calculate_VR"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.Core2ndMomentModel.Core2ndMomentModel.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>
226        <span class="sd">&quot;&quot;&quot; </span>
227<span class="sd">        Calculate the volf ratio for P(q)*S(q)</span>
228<span class="sd">        </span>
229<span class="sd">        :return: the value of the volf ratio</span>
230<span class="sd">        </span>
231<span class="sd">        &quot;&quot;&quot;</span>       
232        <span class="k">return</span> <span class="n">CCore2ndMomentModel</span><span class="o">.</span><span class="n">calculate_VR</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
233              </div>
234<div class="viewcode-block" id="Core2ndMomentModel.set_dispersion"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.Core2ndMomentModel.Core2ndMomentModel.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>
235        <span class="sd">&quot;&quot;&quot;</span>
236<span class="sd">        Set the dispersion object for a model parameter</span>
237<span class="sd">        </span>
238<span class="sd">        :param parameter: name of the parameter [string]</span>
239<span class="sd">        :param dispersion: dispersion object of type DispersionModel</span>
240<span class="sd">        </span>
241<span class="sd">        &quot;&quot;&quot;</span>
242        <span class="k">return</span> <span class="n">CCore2ndMomentModel</span><span class="o">.</span><span class="n">set_dispersion</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span>
243               <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>
244       
245   
246<span class="c"># End of file</span>
247</pre></div></div></div>
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