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51  <h1>Source code for sas.models.TwoYukawaModel</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/TwoYukawa.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">CTwoYukawaModel</span>
79
80<div class="viewcode-block" id="create_TwoYukawaModel"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.TwoYukawaModel.create_TwoYukawaModel">[docs]</a><span class="k">def</span> <span class="nf">create_TwoYukawaModel</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">TwoYukawaModel</span><span class="p">()</span>
85    <span class="c"># CTwoYukawaModel.__init__(obj) is called by</span>
86    <span class="c"># the TwoYukawaModel constructor</span>
87    <span class="k">return</span> <span class="n">obj</span>
88</div>
89<div class="viewcode-block" id="TwoYukawaModel"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.TwoYukawaModel.TwoYukawaModel">[docs]</a><span class="k">class</span> <span class="nc">TwoYukawaModel</span><span class="p">(</span><span class="n">CTwoYukawaModel</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 TwoYukawaModel model. </span>
92<span class="sd">    This file was auto-generated from src/sas/models/include/TwoYukawa.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">    * volfraction     = 0.2 </span>
99<span class="sd">    * effect_radius   = 50.0 [A]</span>
100<span class="sd">    * scale_K1        = 6.0 </span>
101<span class="sd">    * decayConst_Z1   = 10.0 </span>
102<span class="sd">    * scale_K2        = -1.0 </span>
103<span class="sd">    * decayConst_Z2   = 2.0 </span>
104
105<span class="sd">    &quot;&quot;&quot;</span>
106       
107    <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>
108        <span class="sd">&quot;&quot;&quot; Initialization &quot;&quot;&quot;</span>
109        <span class="bp">self</span><span class="o">.</span><span class="n">__dict__</span> <span class="o">=</span> <span class="p">{}</span>
110       
111        <span class="c"># Initialize BaseComponent first, then sphere</span>
112        <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>
113        <span class="c">#apply(CTwoYukawaModel.__init__, (self,)) </span>
114
115        <span class="n">CTwoYukawaModel</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="bp">self</span><span class="o">.</span><span class="n">is_multifunc</span> <span class="o">=</span> <span class="bp">False</span>
117                       
118        <span class="c">## Name of the model</span>
119        <span class="bp">self</span><span class="o">.</span><span class="n">name</span> <span class="o">=</span> <span class="s">&quot;TwoYukawaModel&quot;</span>
120        <span class="c">## Model description</span>
121        <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>
122<span class="s">        Structure factor for interacting particles:                   .</span>
123<span class="s">                </span>
124<span class="s">                Calculates the structure factor, S(q), for a monodisperse spherical particle interacting</span>
125<span class="s">                through a two-Yukawa potential. The Mean Spherical Approximation is used as the</span>
126<span class="s">                closure to solve the Ornstein-Zernicke equations.</span>
127<span class="s">                </span>
128<span class="s">                The function calculated is S(q), based on the solution of the Ornstein-Zernicke equations</span>
129<span class="s">                using the Two-Yukawa potential (in its scaled form, r=r/diam):</span>
130<span class="s">                </span>
131<span class="s">                Radius is that of the hard core. The returned value is dimensionless.</span>
132<span class="s">        &quot;&quot;&quot;</span>
133       
134        <span class="c">## Parameter details [units, min, max]</span>
135        <span class="bp">self</span><span class="o">.</span><span class="n">details</span> <span class="o">=</span> <span class="p">{}</span>
136        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;volfraction&#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>
137        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;effect_radius&#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>
138        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;scale_K1&#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>
139        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;decayConst_Z1&#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>
140        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;scale_K2&#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;decayConst_Z2&#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>
142
143        <span class="c">## fittable parameters</span>
144        <span class="bp">self</span><span class="o">.</span><span class="n">fixed</span> <span class="o">=</span> <span class="p">[]</span>
145       
146        <span class="c">## non-fittable parameters</span>
147        <span class="bp">self</span><span class="o">.</span><span class="n">non_fittable</span> <span class="o">=</span> <span class="p">[]</span>
148       
149        <span class="c">## parameters with orientation</span>
150        <span class="bp">self</span><span class="o">.</span><span class="n">orientation_params</span> <span class="o">=</span> <span class="p">[]</span>
151
152        <span class="c">## parameters with magnetism</span>
153        <span class="bp">self</span><span class="o">.</span><span class="n">magnetic_params</span> <span class="o">=</span> <span class="p">[]</span>
154
155        <span class="bp">self</span><span class="o">.</span><span class="n">category</span> <span class="o">=</span> <span class="bp">None</span>
156        <span class="bp">self</span><span class="o">.</span><span class="n">multiplicity_info</span> <span class="o">=</span> <span class="bp">None</span>
157       
158    <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>
159        <span class="sd">&quot;&quot;&quot;</span>
160<span class="sd">        restore the state of a model from pickle</span>
161<span class="sd">        &quot;&quot;&quot;</span>
162        <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>
163       
164    <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>
165        <span class="sd">&quot;&quot;&quot;</span>
166<span class="sd">        Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of </span>
167<span class="sd">        c model.</span>
168<span class="sd">        &quot;&quot;&quot;</span>
169        <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>
170        <span class="k">return</span> <span class="p">(</span><span class="n">create_TwoYukawaModel</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>
171       
172<div class="viewcode-block" id="TwoYukawaModel.clone"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.TwoYukawaModel.TwoYukawaModel.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>
173        <span class="sd">&quot;&quot;&quot; Return a identical copy of self &quot;&quot;&quot;</span>
174        <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">TwoYukawaModel</span><span class="p">())</span>   
175        </div>
176<div class="viewcode-block" id="TwoYukawaModel.run"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.TwoYukawaModel.TwoYukawaModel.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>
177        <span class="sd">&quot;&quot;&quot; </span>
178<span class="sd">        Evaluate the model</span>
179<span class="sd">        </span>
180<span class="sd">        :param x: input q, or [q,phi]</span>
181<span class="sd">        </span>
182<span class="sd">        :return: scattering function P(q)</span>
183<span class="sd">        </span>
184<span class="sd">        &quot;&quot;&quot;</span>
185        <span class="k">return</span> <span class="n">CTwoYukawaModel</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>
186   </div>
187<div class="viewcode-block" id="TwoYukawaModel.runXY"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.TwoYukawaModel.TwoYukawaModel.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>
188        <span class="sd">&quot;&quot;&quot; </span>
189<span class="sd">        Evaluate the model in cartesian coordinates</span>
190<span class="sd">        </span>
191<span class="sd">        :param x: input q, or [qx, qy]</span>
192<span class="sd">        </span>
193<span class="sd">        :return: scattering function P(q)</span>
194<span class="sd">        </span>
195<span class="sd">        &quot;&quot;&quot;</span>
196        <span class="k">return</span> <span class="n">CTwoYukawaModel</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>
197        </div>
198<div class="viewcode-block" id="TwoYukawaModel.evalDistribution"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.TwoYukawaModel.TwoYukawaModel.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>
199        <span class="sd">&quot;&quot;&quot; </span>
200<span class="sd">        Evaluate the model in cartesian coordinates</span>
201<span class="sd">        </span>
202<span class="sd">        :param x: input q[], or [qx[], qy[]]</span>
203<span class="sd">        </span>
204<span class="sd">        :return: scattering function P(q[])</span>
205<span class="sd">        </span>
206<span class="sd">        &quot;&quot;&quot;</span>
207        <span class="k">return</span> <span class="n">CTwoYukawaModel</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>
208        </div>
209<div class="viewcode-block" id="TwoYukawaModel.calculate_ER"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.TwoYukawaModel.TwoYukawaModel.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>
210        <span class="sd">&quot;&quot;&quot; </span>
211<span class="sd">        Calculate the effective radius for P(q)*S(q)</span>
212<span class="sd">        </span>
213<span class="sd">        :return: the value of the effective radius</span>
214<span class="sd">        </span>
215<span class="sd">        &quot;&quot;&quot;</span>       
216        <span class="k">return</span> <span class="n">CTwoYukawaModel</span><span class="o">.</span><span class="n">calculate_ER</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
217        </div>
218<div class="viewcode-block" id="TwoYukawaModel.calculate_VR"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.TwoYukawaModel.TwoYukawaModel.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>
219        <span class="sd">&quot;&quot;&quot; </span>
220<span class="sd">        Calculate the volf ratio for P(q)*S(q)</span>
221<span class="sd">        </span>
222<span class="sd">        :return: the value of the volf ratio</span>
223<span class="sd">        </span>
224<span class="sd">        &quot;&quot;&quot;</span>       
225        <span class="k">return</span> <span class="n">CTwoYukawaModel</span><span class="o">.</span><span class="n">calculate_VR</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
226              </div>
227<div class="viewcode-block" id="TwoYukawaModel.set_dispersion"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.TwoYukawaModel.TwoYukawaModel.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>
228        <span class="sd">&quot;&quot;&quot;</span>
229<span class="sd">        Set the dispersion object for a model parameter</span>
230<span class="sd">        </span>
231<span class="sd">        :param parameter: name of the parameter [string]</span>
232<span class="sd">        :param dispersion: dispersion object of type DispersionModel</span>
233<span class="sd">        </span>
234<span class="sd">        &quot;&quot;&quot;</span>
235        <span class="k">return</span> <span class="n">CTwoYukawaModel</span><span class="o">.</span><span class="n">set_dispersion</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span>
236               <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>
237       
238   
239<span class="c"># End of file</span>
240</pre></div></div></div>
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