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51  <h1>Source code for sas.models.PeakGaussModel</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">    Model describes a Gaussian shaped peak including a flat background</span>
55<span class="sd">    Provide F(q) = scale*exp( -1/2 *[(q-q0)/B]^2 )+ background</span>
56<span class="sd">    PeakGaussModel function as a BaseComponent model</span>
57<span class="sd">&quot;&quot;&quot;</span>
58
59<span class="kn">from</span> <span class="nn">sas.models.BaseComponent</span> <span class="kn">import</span> <span class="n">BaseComponent</span>
60<span class="kn">import</span> <span class="nn">math</span>
61
62<div class="viewcode-block" id="PeakGaussModel"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.PeakGaussModel.PeakGaussModel">[docs]</a><span class="k">class</span> <span class="nc">PeakGaussModel</span><span class="p">(</span><span class="n">BaseComponent</span><span class="p">):</span>
63   
64    <span class="sd">&quot;&quot;&quot;</span>
65<span class="sd">        Class that evaluates a gaussian  shaped peak.</span>
66<span class="sd">        </span>
67<span class="sd">        F(q) = scale*exp( -1/2 *[(q-qo)/B]^2 )+ background</span>
68<span class="sd">        </span>
69<span class="sd">        The model has three parameters: </span>
70<span class="sd">            scale     =  scale</span>
71<span class="sd">            q0        =  peak position</span>
72<span class="sd">            B         =  standard deviation</span>
73<span class="sd">            background=  incoherent background</span>
74<span class="sd">    &quot;&quot;&quot;</span>
75       
76    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
77        <span class="sd">&quot;&quot;&quot; Initialization &quot;&quot;&quot;</span>
78       
79        <span class="c"># Initialize BaseComponent first, then sphere</span>
80        <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>
81       
82        <span class="c">## Name of the model</span>
83        <span class="bp">self</span><span class="o">.</span><span class="n">name</span> <span class="o">=</span> <span class="s">&quot;Peak Gauss Model&quot;</span>
84        <span class="bp">self</span><span class="o">.</span><span class="n">description</span><span class="o">=</span><span class="s">&quot;&quot;&quot; F(q) = scale*exp( -1/2 *[(q-q0)/B]^2 )+ background</span>
85<span class="s">        </span>
86<span class="s">        The model has three parameters: </span>
87<span class="s">        scale     =  scale</span>
88<span class="s">        q0        =  peak position</span>
89<span class="s">        B         =  standard deviation</span>
90<span class="s">        background=  incoherent background&quot;&quot;&quot;</span>
91        <span class="c">## Define parameters</span>
92        <span class="bp">self</span><span class="o">.</span><span class="n">params</span> <span class="o">=</span> <span class="p">{}</span>
93        <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">100.0</span>
94        <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;q0&#39;</span><span class="p">]</span>                 <span class="o">=</span> <span class="mf">0.05</span>
95        <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">&#39;B&#39;</span><span class="p">]</span>              <span class="o">=</span> <span class="mf">0.005</span>
96        <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">1.0</span>
97
98        <span class="c">## Parameter details [units, min, max]</span>
99        <span class="bp">self</span><span class="o">.</span><span class="n">details</span> <span class="o">=</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;q0&#39;</span><span class="p">]</span>            <span class="o">=</span> <span class="p">[</span><span class="s">&#39;[1/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>
101        <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="mi">0</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;B&#39;</span><span class="p">]</span>            <span class="o">=</span> <span class="p">[</span><span class="s">&#39;[1/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;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>
104        <span class="c">#list of parameter that cannot be fitted</span>
105        <span class="bp">self</span><span class="o">.</span><span class="n">fixed</span><span class="o">=</span> <span class="p">[]</span> 
106           
107    <span class="k">def</span> <span class="nf">_PeakGauss</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x</span><span class="p">):</span>
108        <span class="sd">&quot;&quot;&quot;</span>
109<span class="sd">            Evaluate  F(x) = scale*exp( -1/2 *[(x-q0)/B]^2 )+ background</span>
110<span class="sd">           </span>
111<span class="sd">        &quot;&quot;&quot;</span>
112        <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="mi">1</span><span class="o">/</span><span class="mi">2</span> <span class="o">*</span>\
113                         <span class="n">math</span><span class="o">.</span><span class="n">pow</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;q0&#39;</span><span class="p">])</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;B&#39;</span><span class="p">],</span><span class="mi">2</span><span class="p">))</span> \
114                            <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>
115       
116   
117<div class="viewcode-block" id="PeakGaussModel.run"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.PeakGaussModel.PeakGaussModel.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>
118        <span class="sd">&quot;&quot;&quot; Evaluate the model</span>
119<span class="sd">            @param x: input q-value (float or [float, float] as [r, theta])</span>
120<span class="sd">            @return: (Peak Gaussian value)</span>
121<span class="sd">        &quot;&quot;&quot;</span>
122        <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>
123            <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_PeakGauss</span><span class="p">(</span><span class="n">x</span><span class="p">[</span><span class="mi">0</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 BaseComponent 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">_PeakGauss</span><span class="p">(</span><span class="n">x</span><span class="p">)</span>
128   </div>
129<div class="viewcode-block" id="PeakGaussModel.runXY"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.PeakGaussModel.PeakGaussModel.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>
130        <span class="sd">&quot;&quot;&quot; Evaluate the model</span>
131<span class="sd">            @param x: input q-value (float or [float, float] as [qx, qy])</span>
132<span class="sd">            @return: Peak Gaussian value</span>
133<span class="sd">        &quot;&quot;&quot;</span>
134        <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>
135            <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>
136            <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_PeakGauss</span><span class="p">(</span><span class="n">q</span><span class="p">)</span>
137        <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>
138            <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>
139        <span class="k">else</span><span class="p">:</span>
140            <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_PeakGauss</span><span class="p">(</span><span class="n">x</span><span class="p">)</span></div></div>
141</pre></div>
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