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51  <h1>Source code for sas.models.TwoLorentzianModel</h1><div class="highlight"><pre>
52<span class="c">#!/usr/bin/env python</span>
53<span class="sd">&quot;&quot;&quot; </span>
54<span class="sd">TwoLorentzianModel function as a BaseComponent model</span>
55<span class="sd">&quot;&quot;&quot;</span>
56
57<span class="kn">from</span> <span class="nn">sas.models.BaseComponent</span> <span class="kn">import</span> <span class="n">BaseComponent</span>
58<span class="kn">from</span> <span class="nn">numpy</span> <span class="kn">import</span> <span class="n">power</span>
59<span class="kn">import</span> <span class="nn">math</span>
60
61<div class="viewcode-block" id="TwoLorentzianModel"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.TwoLorentzianModel.TwoLorentzianModel">[docs]</a><span class="k">class</span> <span class="nc">TwoLorentzianModel</span><span class="p">(</span><span class="n">BaseComponent</span><span class="p">):</span>
62    <span class="sd">&quot;&quot;&quot; </span>
63<span class="sd">    Class that evaluates a TwoLorentzianModel.</span>
64<span class="sd">    I(q) = II(q) = scale_1/(1.0 + pow((q*length_1),exponent_1))</span>
65<span class="sd">    + scale_2/(1.0 + pow((q*length_2),exponent_2) )+ background</span>
66<span class="sd">    &quot;&quot;&quot;</span>
67       
68    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
69        <span class="sd">&quot;&quot;&quot; Initialization &quot;&quot;&quot;</span>
70       
71        <span class="c"># Initialize BaseComponent first, then sphere</span>
72        <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>
73       
74        <span class="c">## Name of the model</span>
75        <span class="bp">self</span><span class="o">.</span><span class="n">name</span> <span class="o">=</span> <span class="s">&quot;TwoLorentzian&quot;</span>
76        <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) = scale_1/(1.0 + pow((q*length_1),exponent_1))</span>
77<span class="s">             + scale_2/(1.0 + pow((q*length_2),exponent_2) )+ background</span>
78<span class="s">             List of default parameters:</span>
79<span class="s">             scale_1 = Lorentzian term scaling #1</span>
80<span class="s">             length_1 = Lorentzian screening length #1 [A]</span>
81<span class="s">             exponent_1 = Lorentzian exponent #1</span>
82<span class="s">             scale_2 = Lorentzian term scaling #2</span>
83<span class="s">             length_2 = Lorentzian screening length #2 [A]</span>
84<span class="s">             exponent_2 = Lorentzian exponent #2</span>
85<span class="s">             background = Incoherent background</span>
86<span class="s">        &quot;&quot;&quot;</span>
87        <span class="c">## Define parameters</span>
88        <span class="bp">self</span><span class="o">.</span><span class="n">params</span> <span class="o">=</span> <span class="p">{}</span>
89        <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;scale_1&#39;</span><span class="p">]</span>  <span class="o">=</span> <span class="mf">10.0</span>
90        <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;length_1&#39;</span><span class="p">]</span>     <span class="o">=</span> <span class="mf">100.0</span>
91        <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;exponent_1&#39;</span><span class="p">]</span>     <span class="o">=</span> <span class="mf">3.0</span>
92        <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;scale_2&#39;</span><span class="p">]</span>  <span class="o">=</span> <span class="mf">1.0</span>
93        <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;length_2&#39;</span><span class="p">]</span>     <span class="o">=</span> <span class="mf">10.0</span>
94        <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;exponent_2&#39;</span><span class="p">]</span>     <span class="o">=</span> <span class="mf">2.0</span>
95        <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;background&#39;</span><span class="p">]</span>     <span class="o">=</span> <span class="mf">0.1</span>
96        <span class="c">## Parameter details [units, min, max]</span>
97        <span class="bp">self</span><span class="o">.</span><span class="n">details</span> <span class="o">=</span> <span class="p">{}</span>
98        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;scale_1&#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>
99        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;length_1&#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>
100        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;exponent_1&#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>
101        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;scale_2&#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>
102        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;length_2&#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>
103        <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">&#39;exponent_2&#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>
104        <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>
105
106        <span class="c">#list of parameter that cannot be fitted</span>
107        <span class="bp">self</span><span class="o">.</span><span class="n">fixed</span> <span class="o">=</span> <span class="p">[]</span> 
108    <span class="k">def</span> <span class="nf">_twolorentzian</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x</span><span class="p">):</span>
109        <span class="sd">&quot;&quot;&quot;</span>
110<span class="sd">        Model definition</span>
111<span class="sd">        &quot;&quot;&quot;</span>
112        <span class="n">inten</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;scale_1&#39;</span><span class="p">]</span><span class="o">/</span><span class="p">(</span><span class="mf">1.0</span> <span class="o">+</span> \
113                <span class="n">power</span><span class="p">((</span><span class="n">x</span><span class="o">*</span><span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;length_1&#39;</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;exponent_1&#39;</span><span class="p">]))</span>
114        <span class="n">inten</span> <span class="o">+=</span> <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;scale_2&#39;</span><span class="p">]</span><span class="o">/</span><span class="p">(</span><span class="mf">1.0</span> <span class="o">+</span> \
115                <span class="n">power</span><span class="p">((</span><span class="n">x</span><span class="o">*</span><span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;length_2&#39;</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;exponent_2&#39;</span><span class="p">]))</span>
116        <span class="n">inten</span> <span class="o">+=</span> <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;background&#39;</span><span class="p">]</span>
117
118        <span class="k">return</span> <span class="n">inten</span> 
119   
120<div class="viewcode-block" id="TwoLorentzianModel.run"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.TwoLorentzianModel.TwoLorentzianModel.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>
121        <span class="sd">&quot;&quot;&quot; </span>
122<span class="sd">        Evaluate the model</span>
123<span class="sd">        </span>
124<span class="sd">        param x: input q-value (float or [float, float] as [r, theta])</span>
125<span class="sd">        return: (scattering value)</span>
126<span class="sd">        &quot;&quot;&quot;</span>
127        <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>
128            <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_twolorentzian</span><span class="p">(</span><span class="n">x</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span>
129        <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>
130            <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 BaseComponent models&quot;</span>
131        <span class="k">else</span><span class="p">:</span>
132            <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_twolorentzian</span><span class="p">(</span><span class="n">x</span><span class="p">)</span>
133   </div>
134<div class="viewcode-block" id="TwoLorentzianModel.runXY"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.TwoLorentzianModel.TwoLorentzianModel.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>
135        <span class="sd">&quot;&quot;&quot; </span>
136<span class="sd">        Evaluate the model</span>
137<span class="sd">        </span>
138<span class="sd">        param x: input q-value (float or [float, float] as [qx, qy])</span>
139<span class="sd">        return: scattering value</span>
140<span class="sd">        &quot;&quot;&quot;</span>
141        <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>
142            <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>
143            <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_twolorentzian</span><span class="p">(</span><span class="n">q</span><span class="p">)</span>
144        <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>
145            <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 BaseComponent models&quot;</span>
146        <span class="k">else</span><span class="p">:</span>
147            <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_twolorentzian</span><span class="p">(</span><span class="n">x</span><span class="p">)</span></div></div>
148</pre></div>
149
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