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51  <h1>Source code for sas.models.HayterMSAStructure</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/HayterMSA.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">CHayterMSAStructure</span>
79
80<div class="viewcode-block" id="create_HayterMSAStructure"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.HayterMSAStructure.create_HayterMSAStructure">[docs]</a><span class="k">def</span> <span class="nf">create_HayterMSAStructure</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">HayterMSAStructure</span><span class="p">()</span>
85    <span class="c"># CHayterMSAStructure.__init__(obj) is called by</span>
86    <span class="c"># the HayterMSAStructure constructor</span>
87    <span class="k">return</span> <span class="n">obj</span>
88</div>
89<div class="viewcode-block" id="HayterMSAStructure"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.HayterMSAStructure.HayterMSAStructure">[docs]</a><span class="k">class</span> <span class="nc">HayterMSAStructure</span><span class="p">(</span><span class="n">CHayterMSAStructure</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 HayterMSAStructure model. </span>
92<span class="sd">    This file was auto-generated from src/sas/models/include/HayterMSA.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">    * effect_radius   = 20.75 [A]</span>
99<span class="sd">    * charge          = 19.0 </span>
100<span class="sd">    * volfraction     = 0.0192 </span>
101<span class="sd">    * temperature     = 318.16 [K]</span>
102<span class="sd">    * saltconc        = 0.0 [M]</span>
103<span class="sd">    * dielectconst    = 71.08 </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(CHayterMSAStructure.__init__, (self,)) </span>
114
115        <span class="n">CHayterMSAStructure</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;HayterMSAStructure&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">        To calculate the structure factor (the Fourier transform of the</span>
123<span class="s">                pair correlation function g(r)) for a system of</span>
124<span class="s">                charged, spheroidal objects in a dielectric</span>
125<span class="s">                medium.</span>
126<span class="s">                When combined with an appropriate form</span>
127<span class="s">                factor, this allows for inclusion of</span>
128<span class="s">                the interparticle interference effects</span>
129<span class="s">                due to screened coulomb repulsion between</span>
130<span class="s">                charged particles.</span>
131<span class="s">                (Note: charge &gt; 0 required.)</span>
132<span class="s">                </span>
133<span class="s">                Ref: JP Hansen and JB Hayter, Molecular</span>
134<span class="s">                Physics 46, 651-656 (1982).</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;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>
141        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;charge&#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        <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>
143        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;temperature&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;[K]&#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;saltconc&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;[M]&#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;dielectconst&#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>
146
147        <span class="c">## fittable parameters</span>
148        <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;effect_radius.width&#39;</span><span class="p">]</span>
149       
150        <span class="c">## non-fittable parameters</span>
151        <span class="bp">self</span><span class="o">.</span><span class="n">non_fittable</span> <span class="o">=</span> <span class="p">[]</span>
152       
153        <span class="c">## parameters with orientation</span>
154        <span class="bp">self</span><span class="o">.</span><span class="n">orientation_params</span> <span class="o">=</span> <span class="p">[]</span>
155
156        <span class="c">## parameters with magnetism</span>
157        <span class="bp">self</span><span class="o">.</span><span class="n">magnetic_params</span> <span class="o">=</span> <span class="p">[]</span>
158
159        <span class="bp">self</span><span class="o">.</span><span class="n">category</span> <span class="o">=</span> <span class="bp">None</span>
160        <span class="bp">self</span><span class="o">.</span><span class="n">multiplicity_info</span> <span class="o">=</span> <span class="bp">None</span>
161       
162    <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>
163        <span class="sd">&quot;&quot;&quot;</span>
164<span class="sd">        restore the state of a model from pickle</span>
165<span class="sd">        &quot;&quot;&quot;</span>
166        <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>
167       
168    <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>
169        <span class="sd">&quot;&quot;&quot;</span>
170<span class="sd">        Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of </span>
171<span class="sd">        c model.</span>
172<span class="sd">        &quot;&quot;&quot;</span>
173        <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>
174        <span class="k">return</span> <span class="p">(</span><span class="n">create_HayterMSAStructure</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>
175       
176<div class="viewcode-block" id="HayterMSAStructure.clone"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.HayterMSAStructure.HayterMSAStructure.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>
177        <span class="sd">&quot;&quot;&quot; Return a identical copy of self &quot;&quot;&quot;</span>
178        <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">HayterMSAStructure</span><span class="p">())</span>   
179        </div>
180<div class="viewcode-block" id="HayterMSAStructure.run"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.HayterMSAStructure.HayterMSAStructure.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>
181        <span class="sd">&quot;&quot;&quot; </span>
182<span class="sd">        Evaluate the model</span>
183<span class="sd">        </span>
184<span class="sd">        :param x: input q, or [q,phi]</span>
185<span class="sd">        </span>
186<span class="sd">        :return: scattering function P(q)</span>
187<span class="sd">        </span>
188<span class="sd">        &quot;&quot;&quot;</span>
189        <span class="k">return</span> <span class="n">CHayterMSAStructure</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>
190   </div>
191<div class="viewcode-block" id="HayterMSAStructure.runXY"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.HayterMSAStructure.HayterMSAStructure.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>
192        <span class="sd">&quot;&quot;&quot; </span>
193<span class="sd">        Evaluate the model in cartesian coordinates</span>
194<span class="sd">        </span>
195<span class="sd">        :param x: input q, or [qx, qy]</span>
196<span class="sd">        </span>
197<span class="sd">        :return: scattering function P(q)</span>
198<span class="sd">        </span>
199<span class="sd">        &quot;&quot;&quot;</span>
200        <span class="k">return</span> <span class="n">CHayterMSAStructure</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>
201        </div>
202<div class="viewcode-block" id="HayterMSAStructure.evalDistribution"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.HayterMSAStructure.HayterMSAStructure.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>
203        <span class="sd">&quot;&quot;&quot; </span>
204<span class="sd">        Evaluate the model in cartesian coordinates</span>
205<span class="sd">        </span>
206<span class="sd">        :param x: input q[], or [qx[], qy[]]</span>
207<span class="sd">        </span>
208<span class="sd">        :return: scattering function P(q[])</span>
209<span class="sd">        </span>
210<span class="sd">        &quot;&quot;&quot;</span>
211        <span class="k">return</span> <span class="n">CHayterMSAStructure</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>
212        </div>
213<div class="viewcode-block" id="HayterMSAStructure.calculate_ER"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.HayterMSAStructure.HayterMSAStructure.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>
214        <span class="sd">&quot;&quot;&quot; </span>
215<span class="sd">        Calculate the effective radius for P(q)*S(q)</span>
216<span class="sd">        </span>
217<span class="sd">        :return: the value of the effective radius</span>
218<span class="sd">        </span>
219<span class="sd">        &quot;&quot;&quot;</span>       
220        <span class="k">return</span> <span class="n">CHayterMSAStructure</span><span class="o">.</span><span class="n">calculate_ER</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
221        </div>
222<div class="viewcode-block" id="HayterMSAStructure.calculate_VR"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.HayterMSAStructure.HayterMSAStructure.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>
223        <span class="sd">&quot;&quot;&quot; </span>
224<span class="sd">        Calculate the volf ratio for P(q)*S(q)</span>
225<span class="sd">        </span>
226<span class="sd">        :return: the value of the volf ratio</span>
227<span class="sd">        </span>
228<span class="sd">        &quot;&quot;&quot;</span>       
229        <span class="k">return</span> <span class="n">CHayterMSAStructure</span><span class="o">.</span><span class="n">calculate_VR</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
230              </div>
231<div class="viewcode-block" id="HayterMSAStructure.set_dispersion"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.HayterMSAStructure.HayterMSAStructure.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>
232        <span class="sd">&quot;&quot;&quot;</span>
233<span class="sd">        Set the dispersion object for a model parameter</span>
234<span class="sd">        </span>
235<span class="sd">        :param parameter: name of the parameter [string]</span>
236<span class="sd">        :param dispersion: dispersion object of type DispersionModel</span>
237<span class="sd">        </span>
238<span class="sd">        &quot;&quot;&quot;</span>
239        <span class="k">return</span> <span class="n">CHayterMSAStructure</span><span class="o">.</span><span class="n">set_dispersion</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span>
240               <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>
241       
242   
243<span class="c"># End of file</span>
244</pre></div></div></div>
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