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51  <h1>Source code for sas.models.GuinierModel</h1><div class="highlight"><pre>
52<span class="sd">&quot;&quot;&quot; </span>
53<span class="sd">    Provide I(q) = I_0 exp ( - R_g^2 q^2 / 3.0)</span>
54<span class="sd">    Guinier function as a BaseComponent model</span>
55<span class="sd">&quot;&quot;&quot;</span>
56<span class="kn">from</span> <span class="nn">sas.models.BaseComponent</span> <span class="kn">import</span> <span class="n">BaseComponent</span>
57<span class="kn">import</span> <span class="nn">math</span>
58
59<div class="viewcode-block" id="GuinierModel"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.GuinierModel.GuinierModel">[docs]</a><span class="k">class</span> <span class="nc">GuinierModel</span><span class="p">(</span><span class="n">BaseComponent</span><span class="p">):</span>
60    <span class="sd">&quot;&quot;&quot; </span>
61<span class="sd">        Class that evaluates a Guinier model.</span>
62<span class="sd">    </span>
63<span class="sd">        I(q) = I_0 exp ( - R_g^2 q^2 / 3.0 )</span>
64<span class="sd">        </span>
65<span class="sd">        List of default parameters:</span>
66<span class="sd">         I_0 = Scale</span>
67<span class="sd">         R_g = Radius of gyration</span>
68<span class="sd">          </span>
69<span class="sd">    &quot;&quot;&quot;</span>
70       
71    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
72        <span class="sd">&quot;&quot;&quot; Initialization &quot;&quot;&quot;</span>
73       
74        <span class="c"># Initialize BaseComponent first, then sphere</span>
75        <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>
76       
77        <span class="c">## Name of the model</span>
78        <span class="bp">self</span><span class="o">.</span><span class="n">name</span> <span class="o">=</span> <span class="s">&quot;Guinier&quot;</span>
79        <span class="bp">self</span><span class="o">.</span><span class="n">description</span> <span class="o">=</span> <span class="s">&quot;&quot;&quot; I(q) = I_0 exp ( - R_g^2 q^2 / 3.0 )</span>
80<span class="s">        </span>
81<span class="s">                        List of default parameters:</span>
82<span class="s">                        I_0 = Scale</span>
83<span class="s">                        R_g = Radius of gyration&quot;&quot;&quot;</span>
84        <span class="c">## Define parameters</span>
85        <span class="bp">self</span><span class="o">.</span><span class="n">params</span> <span class="o">=</span> <span class="p">{}</span>
86        <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;scale&#39;</span><span class="p">]</span>  <span class="o">=</span> <span class="mf">1.0</span>
87        <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;rg&#39;</span><span class="p">]</span>     <span class="o">=</span> <span class="mi">60</span>
88
89        <span class="c">## Parameter details [units, min, max]</span>
90        <span class="bp">self</span><span class="o">.</span><span class="n">details</span> <span class="o">=</span> <span class="p">{}</span>
91        <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;[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>
92        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;rg&#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>
93        <span class="c">#list of parameter that cannot be fitted</span>
94        <span class="bp">self</span><span class="o">.</span><span class="n">fixed</span> <span class="o">=</span> <span class="p">[]</span> 
95       
96    <span class="k">def</span> <span class="nf">_guinier</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x</span><span class="p">):</span>
97        <span class="sd">&quot;&quot;&quot;</span>
98<span class="sd">            Evaluate guinier function</span>
99<span class="sd">            :param x: q-value</span>
100<span class="sd">        &quot;&quot;&quot;</span>
101        <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;scale&#39;</span><span class="p">]</span><span class="o">*</span><span class="n">math</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span> <span class="o">-</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="s">&#39;rg&#39;</span><span class="p">]</span><span class="o">*</span><span class="n">x</span><span class="p">)</span><span class="o">**</span><span class="mi">2</span><span class="o">/</span><span class="mf">3.0</span> <span class="p">)</span> 
102   
103<div class="viewcode-block" id="GuinierModel.run"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.GuinierModel.GuinierModel.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>
104        <span class="sd">&quot;&quot;&quot; </span>
105<span class="sd">            Evaluate the model</span>
106<span class="sd">            @param x: input q-value (float or [float, float] as [r, theta])</span>
107<span class="sd">            @return: (guinier value)</span>
108<span class="sd">        &quot;&quot;&quot;</span>
109        <span class="k">if</span> <span class="n">x</span><span class="o">.</span><span class="n">__class__</span><span class="o">.</span><span class="n">__name__</span> <span class="o">==</span> <span class="s">&#39;list&#39;</span><span class="p">:</span>
110            <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_guinier</span><span class="p">(</span><span class="n">x</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span>
111        <span class="k">elif</span> <span class="n">x</span><span class="o">.</span><span class="n">__class__</span><span class="o">.</span><span class="n">__name__</span> <span class="o">==</span> <span class="s">&#39;tuple&#39;</span><span class="p">:</span>
112            <span class="k">raise</span> <span class="ne">ValueError</span><span class="p">,</span> <span class="s">&quot;Tuples are not allowed as input to models&quot;</span>
113        <span class="k">else</span><span class="p">:</span>
114            <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_guinier</span><span class="p">(</span><span class="n">x</span><span class="p">)</span>
115   </div>
116<div class="viewcode-block" id="GuinierModel.runXY"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.GuinierModel.GuinierModel.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>
117        <span class="sd">&quot;&quot;&quot; Evaluate the model</span>
118<span class="sd">            @param x: input q-value (float or [float, float] as [qx, qy])</span>
119<span class="sd">            @return: guinier value</span>
120<span class="sd">        &quot;&quot;&quot;</span>
121        <span class="k">if</span> <span class="n">x</span><span class="o">.</span><span class="n">__class__</span><span class="o">.</span><span class="n">__name__</span> <span class="o">==</span> <span class="s">&#39;list&#39;</span><span class="p">:</span>
122            <span class="n">q</span> <span class="o">=</span> <span class="n">math</span><span class="o">.</span><span class="n">sqrt</span><span class="p">(</span><span class="n">x</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">**</span><span class="mi">2</span> <span class="o">+</span> <span class="n">x</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">**</span><span class="mi">2</span><span class="p">)</span>
123            <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_guinier</span><span class="p">(</span><span class="n">q</span><span class="p">)</span>
124        <span class="k">elif</span> <span class="n">x</span><span class="o">.</span><span class="n">__class__</span><span class="o">.</span><span class="n">__name__</span> <span class="o">==</span> <span class="s">&#39;tuple&#39;</span><span class="p">:</span>
125            <span class="k">raise</span> <span class="ne">ValueError</span><span class="p">,</span> <span class="s">&quot;Tuples are not allowed as input to models&quot;</span>
126        <span class="k">else</span><span class="p">:</span>
127            <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_guinier</span><span class="p">(</span><span class="n">x</span><span class="p">)</span></div></div>
128</pre></div>
129
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