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50  <h1>Source code for sas.pr.distance_explorer</h1><div class="highlight"><pre>
51<span class="c">################################################################################</span>
52<span class="c">#This software was developed by the University of Tennessee as part of the</span>
53<span class="c">#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)</span>
54<span class="c">#project funded by the US National Science Foundation. </span>
55<span class="c">#</span>
56<span class="c">#See the license text in license.txt</span>
57<span class="c">#</span>
58<span class="c">#copyright 2009, University of Tennessee</span>
59<span class="c">################################################################################</span>
60
61<span class="sd">&quot;&quot;&quot;</span>
62<span class="sd">Module to explore the P(r) inversion results for a range</span>
63<span class="sd">of D_max value. User picks a number of points and a range of</span>
64<span class="sd">distances, then get a series of outputs as a function of D_max</span>
65<span class="sd">over that range.</span>
66<span class="sd">&quot;&quot;&quot;</span>
67<span class="kn">import</span> <span class="nn">sys</span>
68
69
70<span class="k">class</span> <span class="nc">Results</span><span class="p">:</span>
71<div class="viewcode-block" id="Results"><a class="viewcode-back" href="../../../dev/api/sas.pr.html#sas.pr.distance_explorer.Results">[docs]</a>    <span class="sd">&quot;&quot;&quot;</span>
72<span class="sd">    Class to hold the inversion output parameters</span>
73<span class="sd">    as a function of D_max</span>
74<span class="sd">    &quot;&quot;&quot;</span>
75    <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
76        <span class="sd">&quot;&quot;&quot;</span>
77<span class="sd">        Initialization. Create empty arrays</span>
78<span class="sd">        and dictionary of labels.</span>
79<span class="sd">        &quot;&quot;&quot;</span>
80        <span class="c"># Array of output for each inversion</span>
81        <span class="bp">self</span><span class="o">.</span><span class="n">chi2</span> <span class="o">=</span> <span class="p">[]</span>
82        <span class="bp">self</span><span class="o">.</span><span class="n">osc</span> <span class="o">=</span> <span class="p">[]</span>
83        <span class="bp">self</span><span class="o">.</span><span class="n">pos</span> <span class="o">=</span> <span class="p">[]</span>
84        <span class="bp">self</span><span class="o">.</span><span class="n">pos_err</span> <span class="o">=</span> <span class="p">[]</span>
85        <span class="bp">self</span><span class="o">.</span><span class="n">rg</span> <span class="o">=</span> <span class="p">[]</span>
86        <span class="bp">self</span><span class="o">.</span><span class="n">iq0</span> <span class="o">=</span> <span class="p">[]</span>
87        <span class="bp">self</span><span class="o">.</span><span class="n">bck</span> <span class="o">=</span> <span class="p">[]</span>
88        <span class="bp">self</span><span class="o">.</span><span class="n">d_max</span> <span class="o">=</span> <span class="p">[]</span>
89        <span class="c">## List of errors found during the last exploration</span>
90        <span class="bp">self</span><span class="o">.</span><span class="n">errors</span> <span class="o">=</span> <span class="p">[]</span>
91       
92       
93<span class="k">class</span> <span class="nc">DistExplorer</span><span class="p">(</span><span class="nb">object</span><span class="p">):</span></div>
94<div class="viewcode-block" id="DistExplorer"><a class="viewcode-back" href="../../../dev/api/sas.pr.html#sas.pr.distance_explorer.DistExplorer">[docs]</a>    <span class="sd">&quot;&quot;&quot;</span>
95<span class="sd">    The explorer class</span>
96<span class="sd">    &quot;&quot;&quot;</span>
97   
98    <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">pr_state</span><span class="p">):</span>
99        <span class="sd">&quot;&quot;&quot;</span>
100<span class="sd">        Initialization.</span>
101<span class="sd">        </span>
102<span class="sd">        :param pr_state: sas.pr.invertor.Invertor object</span>
103<span class="sd">        </span>
104<span class="sd">        &quot;&quot;&quot;</span>
105        <span class="bp">self</span><span class="o">.</span><span class="n">pr_state</span> <span class="o">=</span> <span class="n">pr_state</span>
106        <span class="bp">self</span><span class="o">.</span><span class="n">_default_min</span> <span class="o">=</span> <span class="mf">0.8</span> <span class="o">*</span> <span class="bp">self</span><span class="o">.</span><span class="n">pr_state</span><span class="o">.</span><span class="n">d_max</span>
107        <span class="bp">self</span><span class="o">.</span><span class="n">_default_max</span> <span class="o">=</span> <span class="mf">1.2</span> <span class="o">*</span> <span class="bp">self</span><span class="o">.</span><span class="n">pr_state</span><span class="o">.</span><span class="n">d_max</span>
108       
109    <span class="k">def</span> <span class="nf">__call__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">dmin</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span> <span class="n">dmax</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span> <span class="n">npts</span><span class="o">=</span><span class="mi">10</span><span class="p">):</span>
110        <span class="sd">&quot;&quot;&quot;</span>
111<span class="sd">        Compute the outputs as a function of D_max.</span>
112<span class="sd">        </span>
113<span class="sd">        :param dmin: minimum value for D_max</span>
114<span class="sd">        :param dmax: maximum value for D_max</span>
115<span class="sd">        :param npts: number of points for D_max</span>
116<span class="sd">        </span>
117<span class="sd">        &quot;&quot;&quot;</span>
118        <span class="c"># Take care of the defaults if needed</span>
119        <span class="k">if</span> <span class="n">dmin</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span>
120            <span class="n">dmin</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_default_min</span>
121           
122        <span class="k">if</span> <span class="n">dmax</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span>
123            <span class="n">dmax</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_default_max</span>
124           
125        <span class="c"># Results object to store the computation outputs.</span>
126        <span class="n">results</span> <span class="o">=</span> <span class="n">Results</span><span class="p">()</span>
127       
128        <span class="c"># Loop over d_max values</span>
129        <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">npts</span><span class="p">):</span>
130            <span class="n">d</span> <span class="o">=</span> <span class="n">dmin</span> <span class="o">+</span> <span class="n">i</span> <span class="o">*</span> <span class="p">(</span><span class="n">dmax</span> <span class="o">-</span> <span class="n">dmin</span><span class="p">)</span> <span class="o">/</span> <span class="p">(</span><span class="n">npts</span> <span class="o">-</span> <span class="mf">1.0</span><span class="p">)</span>
131            <span class="bp">self</span><span class="o">.</span><span class="n">pr_state</span><span class="o">.</span><span class="n">d_max</span> <span class="o">=</span> <span class="n">d</span>
132            <span class="k">try</span><span class="p">:</span>
133                <span class="n">out</span><span class="p">,</span> <span class="n">cov</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">pr_state</span><span class="o">.</span><span class="n">invert</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">pr_state</span><span class="o">.</span><span class="n">nfunc</span><span class="p">)</span>
134           
135                <span class="c"># Store results</span>
136                <span class="n">iq0</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">pr_state</span><span class="o">.</span><span class="n">iq0</span><span class="p">(</span><span class="n">out</span><span class="p">)</span>
137                <span class="n">rg</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">pr_state</span><span class="o">.</span><span class="n">rg</span><span class="p">(</span><span class="n">out</span><span class="p">)</span>
138                <span class="n">pos</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">pr_state</span><span class="o">.</span><span class="n">get_positive</span><span class="p">(</span><span class="n">out</span><span class="p">)</span>
139                <span class="n">pos_err</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">pr_state</span><span class="o">.</span><span class="n">get_pos_err</span><span class="p">(</span><span class="n">out</span><span class="p">,</span> <span class="n">cov</span><span class="p">)</span>
140                <span class="n">osc</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">pr_state</span><span class="o">.</span><span class="n">oscillations</span><span class="p">(</span><span class="n">out</span><span class="p">)</span>
141           
142                <span class="n">results</span><span class="o">.</span><span class="n">d_max</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">pr_state</span><span class="o">.</span><span class="n">d_max</span><span class="p">)</span>
143                <span class="n">results</span><span class="o">.</span><span class="n">bck</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">pr_state</span><span class="o">.</span><span class="n">background</span><span class="p">)</span>
144                <span class="n">results</span><span class="o">.</span><span class="n">chi2</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">pr_state</span><span class="o">.</span><span class="n">chi2</span><span class="p">)</span>
145                <span class="n">results</span><span class="o">.</span><span class="n">iq0</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">iq0</span><span class="p">)</span>
146                <span class="n">results</span><span class="o">.</span><span class="n">rg</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">rg</span><span class="p">)</span>
147                <span class="n">results</span><span class="o">.</span><span class="n">pos</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">pos</span><span class="p">)</span>
148                <span class="n">results</span><span class="o">.</span><span class="n">pos_err</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">pos_err</span><span class="p">)</span>
149                <span class="n">results</span><span class="o">.</span><span class="n">osc</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">osc</span><span class="p">)</span>
150            <span class="k">except</span><span class="p">:</span>
151                <span class="c"># This inversion failed, skip this D_max value</span>
152                <span class="n">msg</span> <span class="o">=</span> <span class="s">&quot;ExploreDialog: inversion failed for &quot;</span>
153                <span class="n">msg</span> <span class="o">+=</span> <span class="s">&quot;D_max=</span><span class="si">%s</span><span class="se">\n</span><span class="s"> </span><span class="si">%s</span><span class="s">&quot;</span> <span class="o">%</span> <span class="p">(</span><span class="nb">str</span><span class="p">(</span><span class="n">d</span><span class="p">),</span> <span class="n">sys</span><span class="o">.</span><span class="n">exc_value</span><span class="p">)</span>
154                <span class="n">results</span><span class="o">.</span><span class="n">errors</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">msg</span><span class="p">)</span>
155           
156        <span class="k">return</span> <span class="n">results</span>
157</pre></div></div>
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