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| 54 | <div class="body"> |
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| 55 | |
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| 56 | <div class="section" id="invariant"> |
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| 57 | <h1>invariant<a class="headerlink" href="#invariant" title="Permalink to this headline">¶</a></h1> |
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| 58 | <div class="section" id="module-sans.invariant.invariant"> |
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| 59 | <span id="sans-invariant-invariant"></span><h2><a class="reference internal" href="#module-sans.invariant.invariant" title="sans.invariant.invariant"><tt class="xref py py-mod docutils literal"><span class="pre">sans.invariant.invariant</span></tt></a><a class="headerlink" href="#module-sans.invariant.invariant" title="Permalink to this headline">¶</a></h2> |
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| 60 | <p>This module implements invariant and its related computations.</p> |
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| 61 | <table class="docutils field-list" frame="void" rules="none"> |
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| 62 | <col class="field-name" /> |
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| 63 | <col class="field-body" /> |
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| 64 | <tbody valign="top"> |
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| 65 | <tr class="field"><th class="field-name">author:</th><td class="field-body">Gervaise B. Alina/UTK</td> |
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| 66 | </tr> |
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| 67 | <tr class="field"><th class="field-name">author:</th><td class="field-body">Mathieu Doucet/UTK</td> |
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| 68 | </tr> |
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| 69 | <tr class="field"><th class="field-name">author:</th><td class="field-body">Jae Cho/UTK</td> |
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| 70 | </tr> |
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| 71 | </tbody> |
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| 72 | </table> |
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| 73 | <dl class="class"> |
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| 74 | <dt id="sans.invariant.invariant.Extrapolator"> |
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| 75 | <em class="property">class </em><tt class="descclassname">sans.invariant.invariant.</tt><tt class="descname">Extrapolator</tt><big>(</big><em>data</em>, <em>model=None</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.Extrapolator" title="Permalink to this definition">¶</a></dt> |
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| 76 | <dd><p>Extrapolate I(q) distribution using a given model</p> |
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| 77 | <dl class="method"> |
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| 78 | <dt id="sans.invariant.invariant.Extrapolator.fit"> |
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| 79 | <tt class="descname">fit</tt><big>(</big><em>power=None</em>, <em>qmin=None</em>, <em>qmax=None</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.Extrapolator.fit" title="Permalink to this definition">¶</a></dt> |
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| 80 | <dd><p>Fit data for y = ax + b return a and b</p> |
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| 81 | <table class="docutils field-list" frame="void" rules="none"> |
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| 82 | <col class="field-name" /> |
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| 83 | <col class="field-body" /> |
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| 84 | <tbody valign="top"> |
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| 85 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple"> |
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| 86 | <li><strong>power</strong> – a fixed, otherwise None</li> |
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| 87 | <li><strong>qmin</strong> – Minimum Q-value</li> |
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| 88 | <li><strong>qmax</strong> – Maximum Q-value</li> |
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| 89 | </ul> |
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| 90 | </td> |
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| 91 | </tr> |
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| 92 | </tbody> |
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| 93 | </table> |
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| 94 | </dd></dl> |
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| 95 | |
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| 96 | </dd></dl> |
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| 97 | |
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| 98 | <dl class="class"> |
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| 99 | <dt id="sans.invariant.invariant.Guinier"> |
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| 100 | <em class="property">class </em><tt class="descclassname">sans.invariant.invariant.</tt><tt class="descname">Guinier</tt><big>(</big><em>scale=1</em>, <em>radius=60</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.Guinier" title="Permalink to this definition">¶</a></dt> |
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| 101 | <dd><p>Bases: <a class="reference internal" href="#sans.invariant.invariant.Transform" title="sans.invariant.invariant.Transform"><tt class="xref py py-class docutils literal"><span class="pre">sans.invariant.invariant.Transform</span></tt></a></p> |
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| 102 | <p>class of type Transform that performs operations related to guinier |
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| 103 | function</p> |
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| 104 | <dl class="method"> |
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| 105 | <dt id="sans.invariant.invariant.Guinier.evaluate_model"> |
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| 106 | <tt class="descname">evaluate_model</tt><big>(</big><em>x</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.Guinier.evaluate_model" title="Permalink to this definition">¶</a></dt> |
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| 107 | <dd><p>return F(x)= scale* e-((radius*x)**2/3)</p> |
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| 108 | </dd></dl> |
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| 109 | |
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| 110 | <dl class="method"> |
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| 111 | <dt id="sans.invariant.invariant.Guinier.evaluate_model_errors"> |
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| 112 | <tt class="descname">evaluate_model_errors</tt><big>(</big><em>x</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.Guinier.evaluate_model_errors" title="Permalink to this definition">¶</a></dt> |
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| 113 | <dd><p>Returns the error on I(q) for the given array of q-values</p> |
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| 114 | <table class="docutils field-list" frame="void" rules="none"> |
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| 115 | <col class="field-name" /> |
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| 116 | <col class="field-body" /> |
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| 117 | <tbody valign="top"> |
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| 118 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>x</strong> – array of q-values</td> |
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| 119 | </tr> |
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| 120 | </tbody> |
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| 121 | </table> |
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| 122 | </dd></dl> |
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| 123 | |
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| 124 | <dl class="method"> |
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| 125 | <dt id="sans.invariant.invariant.Guinier.extract_model_parameters"> |
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| 126 | <tt class="descname">extract_model_parameters</tt><big>(</big><em>constant</em>, <em>slope</em>, <em>dconstant=0</em>, <em>dslope=0</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.Guinier.extract_model_parameters" title="Permalink to this definition">¶</a></dt> |
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| 127 | <dd><p>assign new value to the scale and the radius</p> |
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| 128 | </dd></dl> |
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| 129 | |
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| 130 | <dl class="method"> |
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| 131 | <dt id="sans.invariant.invariant.Guinier.get_allowed_bins"> |
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| 132 | <tt class="descname">get_allowed_bins</tt><big>(</big><em>data</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.Guinier.get_allowed_bins" title="Permalink to this definition">¶</a></dt> |
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| 133 | <dd><p>Goes through the data points and returns a list of boolean values |
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| 134 | to indicate whether each points is allowed by the model or not.</p> |
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| 135 | <table class="docutils field-list" frame="void" rules="none"> |
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| 136 | <col class="field-name" /> |
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| 137 | <col class="field-body" /> |
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| 138 | <tbody valign="top"> |
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| 139 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>data</strong> – Data1D object</td> |
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| 140 | </tr> |
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| 141 | </tbody> |
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| 142 | </table> |
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| 143 | </dd></dl> |
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| 144 | |
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| 145 | <dl class="method"> |
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| 146 | <dt id="sans.invariant.invariant.Guinier.linearize_data"> |
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| 147 | <tt class="descname">linearize_data</tt><big>(</big><em>data</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.Guinier.linearize_data" title="Permalink to this definition">¶</a></dt> |
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| 148 | <dd><p>Linearize data so that a linear fit can be performed. |
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| 149 | Filter out the data that can’t be transformed.</p> |
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| 150 | <table class="docutils field-list" frame="void" rules="none"> |
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| 151 | <col class="field-name" /> |
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| 152 | <col class="field-body" /> |
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| 153 | <tbody valign="top"> |
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| 154 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>data</strong> – LoadData1D instance</td> |
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| 155 | </tr> |
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| 156 | </tbody> |
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| 157 | </table> |
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| 158 | </dd></dl> |
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| 159 | |
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| 160 | <dl class="method"> |
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| 161 | <dt id="sans.invariant.invariant.Guinier.linearize_q_value"> |
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| 162 | <tt class="descname">linearize_q_value</tt><big>(</big><em>value</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.Guinier.linearize_q_value" title="Permalink to this definition">¶</a></dt> |
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| 163 | <dd><p>Transform the input q-value for linearization</p> |
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| 164 | <table class="docutils field-list" frame="void" rules="none"> |
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| 165 | <col class="field-name" /> |
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| 166 | <col class="field-body" /> |
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| 167 | <tbody valign="top"> |
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| 168 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>value</strong> – q-value</td> |
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| 169 | </tr> |
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| 170 | <tr class="field"><th class="field-name">Returns:</th><td class="field-body">q*q</td> |
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| 171 | </tr> |
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| 172 | </tbody> |
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| 173 | </table> |
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| 174 | </dd></dl> |
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| 175 | |
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| 176 | </dd></dl> |
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| 177 | |
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| 178 | <dl class="class"> |
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| 179 | <dt id="sans.invariant.invariant.InvariantCalculator"> |
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| 180 | <em class="property">class </em><tt class="descclassname">sans.invariant.invariant.</tt><tt class="descname">InvariantCalculator</tt><big>(</big><em>data</em>, <em>background=0</em>, <em>scale=1</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.InvariantCalculator" title="Permalink to this definition">¶</a></dt> |
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| 181 | <dd><p>Bases: <tt class="xref py py-class docutils literal"><span class="pre">object</span></tt></p> |
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| 182 | <p>Compute invariant if data is given. |
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| 183 | Can provide volume fraction and surface area if the user provides |
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| 184 | Porod constant and contrast values.</p> |
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| 185 | <table class="docutils field-list" frame="void" rules="none"> |
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| 186 | <col class="field-name" /> |
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| 187 | <col class="field-body" /> |
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| 188 | <tbody valign="top"> |
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| 189 | <tr class="field"><th class="field-name">Precondition :</th><td class="field-body">the user must send a data of type DataLoader.Data1D |
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| 190 | the user provide background and scale values.</td> |
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| 191 | </tr> |
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| 192 | <tr class="field"><th class="field-name">Note :</th><td class="field-body">Some computations depends on each others.</td> |
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| 193 | </tr> |
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| 194 | </tbody> |
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| 195 | </table> |
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| 196 | <dl class="method"> |
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| 197 | <dt id="sans.invariant.invariant.InvariantCalculator.get_data"> |
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| 198 | <tt class="descname">get_data</tt><big>(</big><big>)</big><a class="headerlink" href="#sans.invariant.invariant.InvariantCalculator.get_data" title="Permalink to this definition">¶</a></dt> |
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| 199 | <dd><table class="docutils field-list" frame="void" rules="none"> |
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| 200 | <col class="field-name" /> |
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| 201 | <col class="field-body" /> |
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| 202 | <tbody valign="top"> |
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| 203 | <tr class="field"><th class="field-name">Returns:</th><td class="field-body">self._data</td> |
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| 204 | </tr> |
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| 205 | </tbody> |
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| 206 | </table> |
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| 207 | </dd></dl> |
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| 208 | |
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| 209 | <dl class="method"> |
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| 210 | <dt id="sans.invariant.invariant.InvariantCalculator.get_extra_data_high"> |
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| 211 | <tt class="descname">get_extra_data_high</tt><big>(</big><em>npts_in=None</em>, <em>q_end=10</em>, <em>npts=20</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.InvariantCalculator.get_extra_data_high" title="Permalink to this definition">¶</a></dt> |
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| 212 | <dd><p>Returns the extrapolated data used for the high-Q invariant calculation. |
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| 213 | By default, the distribution will cover the data points used for the |
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| 214 | extrapolation. The number of overlap points is a parameter (npts_in). |
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| 215 | By default, the maximum q-value of the distribution will be Q_MAXIMUM, |
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| 216 | the maximum q-value used when extrapolating for the purpose of the |
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| 217 | invariant calculation.</p> |
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| 218 | <table class="docutils field-list" frame="void" rules="none"> |
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| 219 | <col class="field-name" /> |
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| 220 | <col class="field-body" /> |
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| 221 | <tbody valign="top"> |
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| 222 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple"> |
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| 223 | <li><strong>npts_in</strong> – number of data points for which the |
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| 224 | extrapolated data overlap</li> |
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| 225 | <li><strong>q_end</strong> – is the maximum value to uses for extrapolated data</li> |
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| 226 | <li><strong>npts</strong> – the number of points in the extrapolated distribution</li> |
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| 227 | </ul> |
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| 228 | </td> |
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| 229 | </tr> |
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| 230 | </tbody> |
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| 231 | </table> |
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| 232 | </dd></dl> |
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| 233 | |
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| 234 | <dl class="method"> |
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| 235 | <dt id="sans.invariant.invariant.InvariantCalculator.get_extra_data_low"> |
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| 236 | <tt class="descname">get_extra_data_low</tt><big>(</big><em>npts_in=None</em>, <em>q_start=None</em>, <em>npts=20</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.InvariantCalculator.get_extra_data_low" title="Permalink to this definition">¶</a></dt> |
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| 237 | <dd><p>Returns the extrapolated data used for the loew-Q invariant calculation. |
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| 238 | By default, the distribution will cover the data points used for the |
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| 239 | extrapolation. The number of overlap points is a parameter (npts_in). |
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| 240 | By default, the maximum q-value of the distribution will be |
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| 241 | the minimum q-value used when extrapolating for the purpose of the |
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| 242 | invariant calculation.</p> |
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| 243 | <table class="docutils field-list" frame="void" rules="none"> |
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| 244 | <col class="field-name" /> |
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| 245 | <col class="field-body" /> |
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| 246 | <tbody valign="top"> |
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| 247 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple"> |
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| 248 | <li><strong>npts_in</strong> – number of data points for which |
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| 249 | the extrapolated data overlap</li> |
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| 250 | <li><strong>q_start</strong> – is the minimum value to uses for extrapolated data</li> |
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| 251 | <li><strong>npts</strong> – the number of points in the extrapolated distribution</li> |
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| 252 | </ul> |
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| 253 | </td> |
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| 254 | </tr> |
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| 255 | </tbody> |
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| 256 | </table> |
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| 257 | </dd></dl> |
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| 258 | |
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| 259 | <dl class="method"> |
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| 260 | <dt id="sans.invariant.invariant.InvariantCalculator.get_extrapolation_power"> |
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| 261 | <tt class="descname">get_extrapolation_power</tt><big>(</big><em>range='high'</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.InvariantCalculator.get_extrapolation_power" title="Permalink to this definition">¶</a></dt> |
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| 262 | <dd><table class="docutils field-list" frame="void" rules="none"> |
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| 263 | <col class="field-name" /> |
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| 264 | <col class="field-body" /> |
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| 265 | <tbody valign="top"> |
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| 266 | <tr class="field"><th class="field-name">Returns:</th><td class="field-body">the fitted power for power law function for a given |
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| 267 | extrapolation range</td> |
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| 268 | </tr> |
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| 269 | </tbody> |
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| 270 | </table> |
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| 271 | </dd></dl> |
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| 272 | |
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| 273 | <dl class="method"> |
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| 274 | <dt id="sans.invariant.invariant.InvariantCalculator.get_qstar"> |
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| 275 | <tt class="descname">get_qstar</tt><big>(</big><em>extrapolation=None</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.InvariantCalculator.get_qstar" title="Permalink to this definition">¶</a></dt> |
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| 276 | <dd><p>Compute the invariant of the local copy of data.</p> |
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| 277 | <table class="docutils field-list" frame="void" rules="none"> |
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| 278 | <col class="field-name" /> |
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| 279 | <col class="field-body" /> |
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| 280 | <tbody valign="top"> |
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| 281 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>extrapolation</strong> – string to apply optional extrapolation</td> |
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| 282 | </tr> |
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| 283 | <tr class="field"><th class="field-name">Return q_star:</th><td class="field-body">invariant of the data within data’s q range</td> |
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| 284 | </tr> |
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| 285 | <tr class="field"><th class="field-name">Warning :</th><td class="field-body">When using setting data to Data1D , |
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| 286 | the user is responsible of |
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| 287 | checking that the scale and the background are |
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| 288 | properly apply to the data</td> |
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| 289 | </tr> |
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| 290 | </tbody> |
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| 291 | </table> |
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| 292 | </dd></dl> |
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| 293 | |
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| 294 | <dl class="method"> |
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| 295 | <dt id="sans.invariant.invariant.InvariantCalculator.get_qstar_high"> |
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| 296 | <tt class="descname">get_qstar_high</tt><big>(</big><big>)</big><a class="headerlink" href="#sans.invariant.invariant.InvariantCalculator.get_qstar_high" title="Permalink to this definition">¶</a></dt> |
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| 297 | <dd><p>Compute the invariant for extrapolated data at high q range.</p> |
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| 298 | <dl class="docutils"> |
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| 299 | <dt>Implementation:</dt> |
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| 300 | <dd>data = self._get_extra_data_high() |
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| 301 | return self._get_qstar()</dd> |
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| 302 | </dl> |
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| 303 | <table class="docutils field-list" frame="void" rules="none"> |
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| 304 | <col class="field-name" /> |
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| 305 | <col class="field-body" /> |
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| 306 | <tbody valign="top"> |
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| 307 | <tr class="field"><th class="field-name">Return q_star:</th><td class="field-body">the invariant for data extrapolated at high q.</td> |
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| 308 | </tr> |
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| 309 | </tbody> |
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| 310 | </table> |
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| 311 | </dd></dl> |
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| 312 | |
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| 313 | <dl class="method"> |
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| 314 | <dt id="sans.invariant.invariant.InvariantCalculator.get_qstar_low"> |
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| 315 | <tt class="descname">get_qstar_low</tt><big>(</big><big>)</big><a class="headerlink" href="#sans.invariant.invariant.InvariantCalculator.get_qstar_low" title="Permalink to this definition">¶</a></dt> |
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| 316 | <dd><p>Compute the invariant for extrapolated data at low q range.</p> |
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| 317 | <dl class="docutils"> |
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| 318 | <dt>Implementation:</dt> |
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| 319 | <dd>data = self._get_extra_data_low() |
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| 320 | return self._get_qstar()</dd> |
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| 321 | </dl> |
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| 322 | <table class="docutils field-list" frame="void" rules="none"> |
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| 323 | <col class="field-name" /> |
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| 324 | <col class="field-body" /> |
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| 325 | <tbody valign="top"> |
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| 326 | <tr class="field"><th class="field-name">Return q_star:</th><td class="field-body">the invariant for data extrapolated at low q.</td> |
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| 327 | </tr> |
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| 328 | </tbody> |
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| 329 | </table> |
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| 330 | </dd></dl> |
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| 331 | |
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| 332 | <dl class="method"> |
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| 333 | <dt id="sans.invariant.invariant.InvariantCalculator.get_qstar_with_error"> |
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| 334 | <tt class="descname">get_qstar_with_error</tt><big>(</big><em>extrapolation=None</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.InvariantCalculator.get_qstar_with_error" title="Permalink to this definition">¶</a></dt> |
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| 335 | <dd><p>Compute the invariant uncertainty. |
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| 336 | This uncertainty computation depends on whether or not the data is |
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| 337 | smeared.</p> |
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| 338 | <table class="docutils field-list" frame="void" rules="none"> |
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| 339 | <col class="field-name" /> |
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| 340 | <col class="field-body" /> |
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| 341 | <tbody valign="top"> |
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| 342 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>extrapolation</strong> – string to apply optional extrapolation</td> |
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| 343 | </tr> |
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| 344 | <tr class="field"><th class="field-name">Returns:</th><td class="field-body">invariant, the invariant uncertainty</td> |
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| 345 | </tr> |
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| 346 | </tbody> |
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| 347 | </table> |
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| 348 | </dd></dl> |
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| 349 | |
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| 350 | <dl class="method"> |
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| 351 | <dt id="sans.invariant.invariant.InvariantCalculator.get_surface"> |
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| 352 | <tt class="descname">get_surface</tt><big>(</big><em>contrast</em>, <em>porod_const</em>, <em>extrapolation=None</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.InvariantCalculator.get_surface" title="Permalink to this definition">¶</a></dt> |
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| 353 | <dd><p>Compute the specific surface from the data.</p> |
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| 354 | <p>Implementation:</p> |
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| 355 | <div class="highlight-python"><pre>V = self.get_volume_fraction(contrast, extrapolation) |
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| 356 | |
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| 357 | Compute the surface given by: |
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| 358 | surface = (2*pi *V(1- V)*porod_const)/ q_star</pre> |
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| 359 | </div> |
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| 360 | <table class="docutils field-list" frame="void" rules="none"> |
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| 361 | <col class="field-name" /> |
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| 362 | <col class="field-body" /> |
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| 363 | <tbody valign="top"> |
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| 364 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple"> |
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| 365 | <li><strong>contrast</strong> – contrast value to compute the volume</li> |
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| 366 | <li><strong>porod_const</strong> – Porod constant to compute the surface</li> |
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| 367 | <li><strong>extrapolation</strong> – string to apply optional extrapolation</li> |
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| 368 | </ul> |
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| 369 | </td> |
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| 370 | </tr> |
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| 371 | <tr class="field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last">specific surface</p> |
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| 372 | </td> |
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| 373 | </tr> |
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| 374 | </tbody> |
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| 375 | </table> |
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| 376 | </dd></dl> |
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| 377 | |
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| 378 | <dl class="method"> |
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| 379 | <dt id="sans.invariant.invariant.InvariantCalculator.get_surface_with_error"> |
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| 380 | <tt class="descname">get_surface_with_error</tt><big>(</big><em>contrast</em>, <em>porod_const</em>, <em>extrapolation=None</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.InvariantCalculator.get_surface_with_error" title="Permalink to this definition">¶</a></dt> |
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| 381 | <dd><p>Compute uncertainty of the surface value as well as the surface value. |
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| 382 | The uncertainty is given as follow:</p> |
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| 383 | <div class="highlight-python"><pre>dS = porod_const *2*pi[( dV -2*V*dV)/q_star |
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| 384 | + dq_star(v-v**2) |
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| 385 | |
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| 386 | q_star: the invariant value |
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| 387 | dq_star: the invariant uncertainty |
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| 388 | V: the volume fraction value |
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| 389 | dV: the volume uncertainty</pre> |
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| 390 | </div> |
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| 391 | <table class="docutils field-list" frame="void" rules="none"> |
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| 392 | <col class="field-name" /> |
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| 393 | <col class="field-body" /> |
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| 394 | <tbody valign="top"> |
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| 395 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple"> |
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| 396 | <li><strong>contrast</strong> – contrast value</li> |
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| 397 | <li><strong>porod_const</strong> – porod constant value</li> |
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| 398 | <li><strong>extrapolation</strong> – string to apply optional extrapolation</li> |
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| 399 | </ul> |
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| 400 | </td> |
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| 401 | </tr> |
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| 402 | <tr class="field"><th class="field-name">Return S, dS:</th><td class="field-body"><p class="first last">the surface, with its uncertainty</p> |
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| 403 | </td> |
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| 404 | </tr> |
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| 405 | </tbody> |
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| 406 | </table> |
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| 407 | </dd></dl> |
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| 408 | |
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| 409 | <dl class="method"> |
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| 410 | <dt id="sans.invariant.invariant.InvariantCalculator.get_volume_fraction"> |
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| 411 | <tt class="descname">get_volume_fraction</tt><big>(</big><em>contrast</em>, <em>extrapolation=None</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.InvariantCalculator.get_volume_fraction" title="Permalink to this definition">¶</a></dt> |
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| 412 | <dd><p>Compute volume fraction is deduced as follow:</p> |
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| 413 | <div class="highlight-python"><pre>q_star = 2*(pi*contrast)**2* volume( 1- volume) |
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| 414 | for k = 10^(-8)*q_star/(2*(pi*|contrast|)**2) |
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| 415 | we get 2 values of volume: |
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| 416 | with 1 - 4 * k >= 0 |
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| 417 | volume1 = (1- sqrt(1- 4*k))/2 |
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| 418 | volume2 = (1+ sqrt(1- 4*k))/2 |
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| 419 | |
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| 420 | q_star: the invariant value included extrapolation is applied |
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| 421 | unit 1/A^(3)*1/cm |
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| 422 | q_star = self.get_qstar() |
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| 423 | |
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| 424 | the result returned will be 0 <= volume <= 1</pre> |
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| 425 | </div> |
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| 426 | <table class="docutils field-list" frame="void" rules="none"> |
---|
| 427 | <col class="field-name" /> |
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| 428 | <col class="field-body" /> |
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| 429 | <tbody valign="top"> |
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| 430 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple"> |
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| 431 | <li><strong>contrast</strong> – contrast value provides by the user of type float. |
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| 432 | contrast unit is 1/A^(2)= 10^(16)cm^(2)</li> |
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| 433 | <li><strong>extrapolation</strong> – string to apply optional extrapolation</li> |
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| 434 | </ul> |
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| 435 | </td> |
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| 436 | </tr> |
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| 437 | <tr class="field"><th class="field-name">Returns:</th><td class="field-body"><p class="first">volume fraction</p> |
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| 438 | </td> |
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| 439 | </tr> |
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| 440 | <tr class="field"><th class="field-name">Note :</th><td class="field-body"><p class="first last">volume fraction must have no unit</p> |
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| 441 | </td> |
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| 442 | </tr> |
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| 443 | </tbody> |
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| 444 | </table> |
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| 445 | </dd></dl> |
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| 446 | |
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| 447 | <dl class="method"> |
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| 448 | <dt id="sans.invariant.invariant.InvariantCalculator.get_volume_fraction_with_error"> |
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| 449 | <tt class="descname">get_volume_fraction_with_error</tt><big>(</big><em>contrast</em>, <em>extrapolation=None</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.InvariantCalculator.get_volume_fraction_with_error" title="Permalink to this definition">¶</a></dt> |
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| 450 | <dd><p>Compute uncertainty on volume value as well as the volume fraction |
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| 451 | This uncertainty is given by the following equation:</p> |
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| 452 | <div class="highlight-python"><pre>dV = 0.5 * (4*k* dq_star) /(2* math.sqrt(1-k* q_star)) |
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| 453 | |
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| 454 | for k = 10^(-8)*q_star/(2*(pi*|contrast|)**2) |
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| 455 | |
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| 456 | q_star: the invariant value including extrapolated value if existing |
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| 457 | dq_star: the invariant uncertainty |
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| 458 | dV: the volume uncertainty</pre> |
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| 459 | </div> |
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| 460 | <p>The uncertainty will be set to -1 if it can’t be computed.</p> |
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| 461 | <table class="docutils field-list" frame="void" rules="none"> |
---|
| 462 | <col class="field-name" /> |
---|
| 463 | <col class="field-body" /> |
---|
| 464 | <tbody valign="top"> |
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| 465 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple"> |
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| 466 | <li><strong>contrast</strong> – contrast value</li> |
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| 467 | <li><strong>extrapolation</strong> – string to apply optional extrapolation</li> |
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| 468 | </ul> |
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| 469 | </td> |
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| 470 | </tr> |
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| 471 | <tr class="field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last">V, dV = volume fraction, error on volume fraction</p> |
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| 472 | </td> |
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| 473 | </tr> |
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| 474 | </tbody> |
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| 475 | </table> |
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| 476 | </dd></dl> |
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| 477 | |
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| 478 | <dl class="method"> |
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| 479 | <dt id="sans.invariant.invariant.InvariantCalculator.set_extrapolation"> |
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| 480 | <tt class="descname">set_extrapolation</tt><big>(</big><em>range</em>, <em>npts=4</em>, <em>function=None</em>, <em>power=None</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.InvariantCalculator.set_extrapolation" title="Permalink to this definition">¶</a></dt> |
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| 481 | <dd><p>Set the extrapolation parameters for the high or low Q-range. |
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| 482 | Note that this does not turn extrapolation on or off.</p> |
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| 483 | <table class="docutils field-list" frame="void" rules="none"> |
---|
| 484 | <col class="field-name" /> |
---|
| 485 | <col class="field-body" /> |
---|
| 486 | <tbody valign="top"> |
---|
| 487 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple"> |
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| 488 | <li><strong>range</strong> – a keyword set the type of extrapolation . type string</li> |
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| 489 | <li><strong>npts</strong> – the numbers of q points of data to consider |
---|
| 490 | for extrapolation</li> |
---|
| 491 | <li><strong>function</strong> – a keyword to select the function to use |
---|
| 492 | for extrapolation. |
---|
| 493 | of type string.</li> |
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| 494 | <li><strong>power</strong> – an power to apply power_low function</li> |
---|
| 495 | </ul> |
---|
| 496 | </td> |
---|
| 497 | </tr> |
---|
| 498 | </tbody> |
---|
| 499 | </table> |
---|
| 500 | </dd></dl> |
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| 501 | |
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| 502 | </dd></dl> |
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| 503 | |
---|
| 504 | <dl class="class"> |
---|
| 505 | <dt id="sans.invariant.invariant.PowerLaw"> |
---|
| 506 | <em class="property">class </em><tt class="descclassname">sans.invariant.invariant.</tt><tt class="descname">PowerLaw</tt><big>(</big><em>scale=1</em>, <em>power=4</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.PowerLaw" title="Permalink to this definition">¶</a></dt> |
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| 507 | <dd><p>Bases: <a class="reference internal" href="#sans.invariant.invariant.Transform" title="sans.invariant.invariant.Transform"><tt class="xref py py-class docutils literal"><span class="pre">sans.invariant.invariant.Transform</span></tt></a></p> |
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| 508 | <p>class of type transform that perform operation related to power_law |
---|
| 509 | function</p> |
---|
| 510 | <dl class="method"> |
---|
| 511 | <dt id="sans.invariant.invariant.PowerLaw.evaluate_model"> |
---|
| 512 | <tt class="descname">evaluate_model</tt><big>(</big><em>x</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.PowerLaw.evaluate_model" title="Permalink to this definition">¶</a></dt> |
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| 513 | <dd><p>given a scale and a radius transform x, y using a power_law |
---|
| 514 | function</p> |
---|
| 515 | </dd></dl> |
---|
| 516 | |
---|
| 517 | <dl class="method"> |
---|
| 518 | <dt id="sans.invariant.invariant.PowerLaw.evaluate_model_errors"> |
---|
| 519 | <tt class="descname">evaluate_model_errors</tt><big>(</big><em>x</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.PowerLaw.evaluate_model_errors" title="Permalink to this definition">¶</a></dt> |
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| 520 | <dd><p>Returns the error on I(q) for the given array of q-values |
---|
| 521 | :param x: array of q-values</p> |
---|
| 522 | </dd></dl> |
---|
| 523 | |
---|
| 524 | <dl class="method"> |
---|
| 525 | <dt id="sans.invariant.invariant.PowerLaw.extract_model_parameters"> |
---|
| 526 | <tt class="descname">extract_model_parameters</tt><big>(</big><em>constant</em>, <em>slope</em>, <em>dconstant=0</em>, <em>dslope=0</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.PowerLaw.extract_model_parameters" title="Permalink to this definition">¶</a></dt> |
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| 527 | <dd><p>Assign new value to the scale and the power</p> |
---|
| 528 | </dd></dl> |
---|
| 529 | |
---|
| 530 | <dl class="method"> |
---|
| 531 | <dt id="sans.invariant.invariant.PowerLaw.get_allowed_bins"> |
---|
| 532 | <tt class="descname">get_allowed_bins</tt><big>(</big><em>data</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.PowerLaw.get_allowed_bins" title="Permalink to this definition">¶</a></dt> |
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| 533 | <dd><p>Goes through the data points and returns a list of boolean values |
---|
| 534 | to indicate whether each points is allowed by the model or not.</p> |
---|
| 535 | <table class="docutils field-list" frame="void" rules="none"> |
---|
| 536 | <col class="field-name" /> |
---|
| 537 | <col class="field-body" /> |
---|
| 538 | <tbody valign="top"> |
---|
| 539 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>data</strong> – Data1D object</td> |
---|
| 540 | </tr> |
---|
| 541 | </tbody> |
---|
| 542 | </table> |
---|
| 543 | </dd></dl> |
---|
| 544 | |
---|
| 545 | <dl class="method"> |
---|
| 546 | <dt id="sans.invariant.invariant.PowerLaw.linearize_data"> |
---|
| 547 | <tt class="descname">linearize_data</tt><big>(</big><em>data</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.PowerLaw.linearize_data" title="Permalink to this definition">¶</a></dt> |
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| 548 | <dd><p>Linearize data so that a linear fit can be performed. |
---|
| 549 | Filter out the data that can’t be transformed.</p> |
---|
| 550 | <table class="docutils field-list" frame="void" rules="none"> |
---|
| 551 | <col class="field-name" /> |
---|
| 552 | <col class="field-body" /> |
---|
| 553 | <tbody valign="top"> |
---|
| 554 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>data</strong> – LoadData1D instance</td> |
---|
| 555 | </tr> |
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| 556 | </tbody> |
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| 557 | </table> |
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| 558 | </dd></dl> |
---|
| 559 | |
---|
| 560 | <dl class="method"> |
---|
| 561 | <dt id="sans.invariant.invariant.PowerLaw.linearize_q_value"> |
---|
| 562 | <tt class="descname">linearize_q_value</tt><big>(</big><em>value</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.PowerLaw.linearize_q_value" title="Permalink to this definition">¶</a></dt> |
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| 563 | <dd><p>Transform the input q-value for linearization</p> |
---|
| 564 | <table class="docutils field-list" frame="void" rules="none"> |
---|
| 565 | <col class="field-name" /> |
---|
| 566 | <col class="field-body" /> |
---|
| 567 | <tbody valign="top"> |
---|
| 568 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>value</strong> – q-value</td> |
---|
| 569 | </tr> |
---|
| 570 | <tr class="field"><th class="field-name">Returns:</th><td class="field-body">log(q)</td> |
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| 571 | </tr> |
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| 572 | </tbody> |
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| 573 | </table> |
---|
| 574 | </dd></dl> |
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| 575 | |
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| 576 | </dd></dl> |
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| 577 | |
---|
| 578 | <dl class="class"> |
---|
| 579 | <dt id="sans.invariant.invariant.Transform"> |
---|
| 580 | <em class="property">class </em><tt class="descclassname">sans.invariant.invariant.</tt><tt class="descname">Transform</tt><a class="headerlink" href="#sans.invariant.invariant.Transform" title="Permalink to this definition">¶</a></dt> |
---|
| 581 | <dd><p>Bases: <tt class="xref py py-class docutils literal"><span class="pre">object</span></tt></p> |
---|
| 582 | <p>Define interface that need to compute a function or an inverse |
---|
| 583 | function given some x, y</p> |
---|
| 584 | <dl class="method"> |
---|
| 585 | <dt id="sans.invariant.invariant.Transform.evaluate_model"> |
---|
| 586 | <tt class="descname">evaluate_model</tt><big>(</big><em>x</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.Transform.evaluate_model" title="Permalink to this definition">¶</a></dt> |
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| 587 | <dd><p>Returns an array f(x) values where f is the Transform function.</p> |
---|
| 588 | </dd></dl> |
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| 589 | |
---|
| 590 | <dl class="method"> |
---|
| 591 | <dt id="sans.invariant.invariant.Transform.evaluate_model_errors"> |
---|
| 592 | <tt class="descname">evaluate_model_errors</tt><big>(</big><em>x</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.Transform.evaluate_model_errors" title="Permalink to this definition">¶</a></dt> |
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| 593 | <dd><p>Returns an array of I(q) errors</p> |
---|
| 594 | </dd></dl> |
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| 595 | |
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| 596 | <dl class="method"> |
---|
| 597 | <dt id="sans.invariant.invariant.Transform.extract_model_parameters"> |
---|
| 598 | <tt class="descname">extract_model_parameters</tt><big>(</big><em>constant</em>, <em>slope</em>, <em>dconstant=0</em>, <em>dslope=0</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.Transform.extract_model_parameters" title="Permalink to this definition">¶</a></dt> |
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| 599 | <dd><p>set private member</p> |
---|
| 600 | </dd></dl> |
---|
| 601 | |
---|
| 602 | <dl class="method"> |
---|
| 603 | <dt id="sans.invariant.invariant.Transform.get_allowed_bins"> |
---|
| 604 | <tt class="descname">get_allowed_bins</tt><big>(</big><em>data</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.Transform.get_allowed_bins" title="Permalink to this definition">¶</a></dt> |
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| 605 | <dd><p>Goes through the data points and returns a list of boolean values |
---|
| 606 | to indicate whether each points is allowed by the model or not.</p> |
---|
| 607 | <table class="docutils field-list" frame="void" rules="none"> |
---|
| 608 | <col class="field-name" /> |
---|
| 609 | <col class="field-body" /> |
---|
| 610 | <tbody valign="top"> |
---|
| 611 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>data</strong> – Data1D object</td> |
---|
| 612 | </tr> |
---|
| 613 | </tbody> |
---|
| 614 | </table> |
---|
| 615 | </dd></dl> |
---|
| 616 | |
---|
| 617 | <dl class="method"> |
---|
| 618 | <dt id="sans.invariant.invariant.Transform.linearize_data"> |
---|
| 619 | <tt class="descname">linearize_data</tt><big>(</big><em>data</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.Transform.linearize_data" title="Permalink to this definition">¶</a></dt> |
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| 620 | <dd><p>Linearize data so that a linear fit can be performed. |
---|
| 621 | Filter out the data that can’t be transformed.</p> |
---|
| 622 | <table class="docutils field-list" frame="void" rules="none"> |
---|
| 623 | <col class="field-name" /> |
---|
| 624 | <col class="field-body" /> |
---|
| 625 | <tbody valign="top"> |
---|
| 626 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>data</strong> – LoadData1D instance</td> |
---|
| 627 | </tr> |
---|
| 628 | </tbody> |
---|
| 629 | </table> |
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| 630 | </dd></dl> |
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| 631 | |
---|
| 632 | <dl class="method"> |
---|
| 633 | <dt id="sans.invariant.invariant.Transform.linearize_q_value"> |
---|
| 634 | <tt class="descname">linearize_q_value</tt><big>(</big><em>value</em><big>)</big><a class="headerlink" href="#sans.invariant.invariant.Transform.linearize_q_value" title="Permalink to this definition">¶</a></dt> |
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| 635 | <dd><p>Transform the input q-value for linearization</p> |
---|
| 636 | </dd></dl> |
---|
| 637 | |
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| 638 | </dd></dl> |
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| 639 | |
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| 640 | </div> |
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| 641 | </div> |
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| 642 | |
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| 643 | |
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| 644 | </div> |
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| 645 | </div> |
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| 646 | </div> |
---|
| 647 | <div class="sphinxsidebar"> |
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| 648 | <div class="sphinxsidebarwrapper"> |
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| 649 | <h3><a href="../index.html">Table Of Contents</a></h3> |
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| 650 | <ul> |
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| 651 | <li><a class="reference internal" href="#">invariant</a><ul> |
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| 652 | <li><a class="reference internal" href="#module-sans.invariant.invariant"><tt class="docutils literal"><span class="pre">sans.invariant.invariant</span></tt></a></li> |
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| 653 | </ul> |
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| 654 | </li> |
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| 655 | </ul> |
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| 656 | |
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| 657 | <h4>Previous topic</h4> |
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| 658 | <p class="topless"><a href="index.html" |
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| 659 | title="previous chapter">Reference</a></p> |
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[1679f2f] | 660 | <h4>Next topic</h4> |
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| 661 | <p class="topless"><a href="invariant_mapper.html" |
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| 662 | title="next chapter">invariant_mapper</a></p> |
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[78c1aca] | 663 | <h3>This Page</h3> |
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| 664 | <ul class="this-page-menu"> |
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| 665 | <li><a href="../_sources/api/invariant.txt" |
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| 666 | rel="nofollow">Show Source</a></li> |
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| 667 | </ul> |
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| 668 | <div id="searchbox" style="display: none"> |
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| 669 | <h3>Quick search</h3> |
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