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| 54 | <div class="body"> |
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| 55 | |
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| 56 | <div class="section" id="bepolyelectrolyte"> |
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| 57 | <h1>BEPolyelectrolyte<a class="headerlink" href="#bepolyelectrolyte" title="Permalink to this headline">¶</a></h1> |
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| 58 | <div class="section" id="module-sans.models.BEPolyelectrolyte"> |
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| 59 | <span id="sans-models-bepolyelectrolyte"></span><h2><a class="reference internal" href="#module-sans.models.BEPolyelectrolyte" title="sans.models.BEPolyelectrolyte"><tt class="xref py py-mod docutils literal"><span class="pre">sans.models.BEPolyelectrolyte</span></tt></a><a class="headerlink" href="#module-sans.models.BEPolyelectrolyte" title="Permalink to this headline">¶</a></h2> |
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| 60 | <p>Provide F(x) = K*1/(4*pi*Lb*(alpha)^(2))*(q^(2)+k2)/(1+(r02)^(2))*(q^(2)+k2) <a href="#id1"><span class="problematic" id="id2">*</span></a>(q^(2)-(12*h*C/b^(2))) |
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| 61 | BEPolyelectrolyte as a BaseComponent model</p> |
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| 62 | <dl class="class"> |
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| 63 | <dt id="sans.models.BEPolyelectrolyte.BEPolyelectrolyte"> |
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| 64 | <em class="property">class </em><tt class="descclassname">sans.models.BEPolyelectrolyte.</tt><tt class="descname">BEPolyelectrolyte</tt><a class="headerlink" href="#sans.models.BEPolyelectrolyte.BEPolyelectrolyte" title="Permalink to this definition">¶</a></dt> |
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| 65 | <dd><p>Bases: <a class="reference internal" href="BaseComponent.html#sans.models.BaseComponent.BaseComponent" title="sans.models.BaseComponent.BaseComponent"><tt class="xref py py-class docutils literal"><span class="pre">sans.models.BaseComponent.BaseComponent</span></tt></a></p> |
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| 66 | <p>Class that evaluates a BEPolyelectrolyte.</p> |
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| 67 | <p>F(x) = K*1/(4*pi*Lb*(alpha)^(2))*(q^(2)+k2)/(1+(r02)^(2))*(q^(2)+k2) <a href="#id3"><span class="problematic" id="id4">*</span></a>(q^(2)-(12*h*C/b^(2)))</p> |
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| 68 | <dl class="docutils"> |
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| 69 | <dt>The model has Eight parameters: </dt> |
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| 70 | <dd>K = Constrast factor of the polymer |
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| 71 | Lb = Bjerrum length |
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| 72 | H = virial parameter |
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| 73 | B = monomer length |
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| 74 | Cs = Concentration of monovalent salt |
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| 75 | alpha = ionazation degree |
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| 76 | C = polymer molar concentration |
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| 77 | bkd = background</dd> |
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| 78 | </dl> |
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| 79 | <dl class="method"> |
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| 80 | <dt id="sans.models.BEPolyelectrolyte.BEPolyelectrolyte.calculate_ER"> |
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| 81 | <tt class="descname">calculate_ER</tt><big>(</big><big>)</big><a class="headerlink" href="#sans.models.BEPolyelectrolyte.BEPolyelectrolyte.calculate_ER" title="Permalink to this definition">¶</a></dt> |
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| 82 | <dd></dd></dl> |
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| 83 | |
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| 84 | <dl class="method"> |
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| 85 | <dt id="sans.models.BEPolyelectrolyte.BEPolyelectrolyte.clone"> |
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| 86 | <tt class="descname">clone</tt><big>(</big><big>)</big><a class="headerlink" href="#sans.models.BEPolyelectrolyte.BEPolyelectrolyte.clone" title="Permalink to this definition">¶</a></dt> |
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| 87 | <dd><p>Returns a new object identical to the current object</p> |
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| 88 | </dd></dl> |
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| 89 | |
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| 90 | <dl class="method"> |
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| 91 | <dt id="sans.models.BEPolyelectrolyte.BEPolyelectrolyte.evalDistribution"> |
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| 92 | <tt class="descname">evalDistribution</tt><big>(</big><em>qdist</em><big>)</big><a class="headerlink" href="#sans.models.BEPolyelectrolyte.BEPolyelectrolyte.evalDistribution" title="Permalink to this definition">¶</a></dt> |
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| 93 | <dd><p>Evaluate a distribution of q-values.</p> |
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| 94 | <ul> |
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| 95 | <li><p class="first">For 1D, a numpy array is expected as input:</p> |
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| 96 | <blockquote> |
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| 97 | <div><p>evalDistribution(q)</p> |
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| 98 | </div></blockquote> |
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| 99 | </li> |
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| 100 | </ul> |
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| 101 | <p>where q is a numpy array.</p> |
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| 102 | <ul class="simple"> |
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| 103 | <li>For 2D, a list of numpy arrays are expected: [qx_prime,qy_prime], |
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| 104 | where 1D arrays,</li> |
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| 105 | </ul> |
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| 106 | <p>qx_prime = [ qx[0], qx[1], qx[2], ....] |
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| 107 | and |
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| 108 | qy_prime = [ qy[0], qy[1], qy[2], ....]</p> |
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| 109 | <p>Then get |
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| 110 | q = numpy.sqrt(qx_prime^2+qy_prime^2)</p> |
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| 111 | <p>that is a qr in 1D array; |
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| 112 | q = [q[0], q[1], q[2], ....]</p> |
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| 113 | <table class="docutils field-list" frame="void" rules="none"> |
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| 114 | <col class="field-name" /> |
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| 115 | <col class="field-body" /> |
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| 116 | <tbody valign="top"> |
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| 117 | <tr class="field"><th class="field-name">Note :</th><td class="field-body"><p class="first">Due to 2D speed issue, no anisotropic scattering |
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| 118 | is supported for python models, thus C-models should have</p> |
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| 119 | <blockquote class="last"> |
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| 120 | <div><p>their own evalDistribution methods.</p> |
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| 121 | </div></blockquote> |
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| 122 | </td> |
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| 123 | </tr> |
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| 124 | </tbody> |
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| 125 | </table> |
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| 126 | <p>The method is then called the following way:</p> |
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| 127 | <p>evalDistribution(q) |
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| 128 | where q is a numpy array.</p> |
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| 129 | <table class="docutils field-list" frame="void" rules="none"> |
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| 130 | <col class="field-name" /> |
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| 131 | <col class="field-body" /> |
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| 132 | <tbody valign="top"> |
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| 133 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>qdist</strong> – ndarray of scalar q-values or list [qx,qy] |
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| 134 | where qx,qy are 1D ndarrays</td> |
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| 135 | </tr> |
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| 136 | </tbody> |
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| 137 | </table> |
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| 138 | </dd></dl> |
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| 139 | |
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| 140 | <dl class="method"> |
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| 141 | <dt id="sans.models.BEPolyelectrolyte.BEPolyelectrolyte.getDispParamList"> |
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| 142 | <tt class="descname">getDispParamList</tt><big>(</big><big>)</big><a class="headerlink" href="#sans.models.BEPolyelectrolyte.BEPolyelectrolyte.getDispParamList" title="Permalink to this definition">¶</a></dt> |
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| 143 | <dd><p>Return a list of all available parameters for the model</p> |
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| 144 | </dd></dl> |
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| 145 | |
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| 146 | <dl class="method"> |
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| 147 | <dt id="sans.models.BEPolyelectrolyte.BEPolyelectrolyte.getParam"> |
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| 148 | <tt class="descname">getParam</tt><big>(</big><em>name</em><big>)</big><a class="headerlink" href="#sans.models.BEPolyelectrolyte.BEPolyelectrolyte.getParam" title="Permalink to this definition">¶</a></dt> |
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| 149 | <dd><p>Set the value of a model parameter</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>name</strong> – name of the parameter</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.models.BEPolyelectrolyte.BEPolyelectrolyte.getParamList"> |
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| 162 | <tt class="descname">getParamList</tt><big>(</big><big>)</big><a class="headerlink" href="#sans.models.BEPolyelectrolyte.BEPolyelectrolyte.getParamList" title="Permalink to this definition">¶</a></dt> |
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| 163 | <dd><p>Return a list of all available parameters for the model</p> |
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| 164 | </dd></dl> |
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| 165 | |
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| 166 | <dl class="method"> |
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| 167 | <dt id="sans.models.BEPolyelectrolyte.BEPolyelectrolyte.getParamListWithToken"> |
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| 168 | <tt class="descname">getParamListWithToken</tt><big>(</big><em>token</em>, <em>member</em><big>)</big><a class="headerlink" href="#sans.models.BEPolyelectrolyte.BEPolyelectrolyte.getParamListWithToken" title="Permalink to this definition">¶</a></dt> |
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| 169 | <dd></dd></dl> |
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| 170 | |
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| 171 | <dl class="method"> |
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| 172 | <dt id="sans.models.BEPolyelectrolyte.BEPolyelectrolyte.getParamWithToken"> |
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| 173 | <tt class="descname">getParamWithToken</tt><big>(</big><em>name</em>, <em>token</em>, <em>member</em><big>)</big><a class="headerlink" href="#sans.models.BEPolyelectrolyte.BEPolyelectrolyte.getParamWithToken" title="Permalink to this definition">¶</a></dt> |
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| 174 | <dd></dd></dl> |
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| 175 | |
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| 176 | <dl class="method"> |
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| 177 | <dt id="sans.models.BEPolyelectrolyte.BEPolyelectrolyte.is_fittable"> |
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| 178 | <tt class="descname">is_fittable</tt><big>(</big><em>par_name</em><big>)</big><a class="headerlink" href="#sans.models.BEPolyelectrolyte.BEPolyelectrolyte.is_fittable" title="Permalink to this definition">¶</a></dt> |
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| 179 | <dd><p>Check if a given parameter is fittable or not</p> |
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| 180 | <table class="docutils field-list" frame="void" rules="none"> |
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| 181 | <col class="field-name" /> |
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| 182 | <col class="field-body" /> |
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| 183 | <tbody valign="top"> |
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| 184 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>par_name</strong> – the parameter name to check</td> |
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| 185 | </tr> |
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| 186 | </tbody> |
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| 187 | </table> |
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| 188 | </dd></dl> |
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| 189 | |
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| 190 | <dl class="method"> |
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| 191 | <dt id="sans.models.BEPolyelectrolyte.BEPolyelectrolyte.run"> |
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| 192 | <tt class="descname">run</tt><big>(</big><em>x=0.0</em><big>)</big><a class="headerlink" href="#sans.models.BEPolyelectrolyte.BEPolyelectrolyte.run" title="Permalink to this definition">¶</a></dt> |
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| 193 | <dd><p>Evaluate the model |
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| 194 | @param x: input q-value (float or [float, float] as [r, theta]) |
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| 195 | @return: (debye value)</p> |
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| 196 | </dd></dl> |
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| 197 | |
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| 198 | <dl class="method"> |
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| 199 | <dt id="sans.models.BEPolyelectrolyte.BEPolyelectrolyte.runXY"> |
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| 200 | <tt class="descname">runXY</tt><big>(</big><em>x=0.0</em><big>)</big><a class="headerlink" href="#sans.models.BEPolyelectrolyte.BEPolyelectrolyte.runXY" title="Permalink to this definition">¶</a></dt> |
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| 201 | <dd><p>Evaluate the model |
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| 202 | @param x: input q-value (float or [float, float] as [qx, qy]) |
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| 203 | @return: debye value</p> |
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| 204 | </dd></dl> |
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| 205 | |
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| 206 | <dl class="method"> |
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| 207 | <dt id="sans.models.BEPolyelectrolyte.BEPolyelectrolyte.setParam"> |
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| 208 | <tt class="descname">setParam</tt><big>(</big><em>name</em>, <em>value</em><big>)</big><a class="headerlink" href="#sans.models.BEPolyelectrolyte.BEPolyelectrolyte.setParam" title="Permalink to this definition">¶</a></dt> |
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| 209 | <dd><p>Set the value of a model parameter</p> |
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| 210 | <table class="docutils field-list" frame="void" rules="none"> |
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| 211 | <col class="field-name" /> |
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| 212 | <col class="field-body" /> |
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| 213 | <tbody valign="top"> |
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| 214 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple"> |
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| 215 | <li><strong>name</strong> – name of the parameter</li> |
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| 216 | <li><strong>value</strong> – value of the parameter</li> |
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| 217 | </ul> |
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| 218 | </td> |
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| 219 | </tr> |
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| 220 | </tbody> |
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| 221 | </table> |
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| 222 | </dd></dl> |
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| 223 | |
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| 224 | <dl class="method"> |
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| 225 | <dt id="sans.models.BEPolyelectrolyte.BEPolyelectrolyte.setParamWithToken"> |
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| 226 | <tt class="descname">setParamWithToken</tt><big>(</big><em>name</em>, <em>value</em>, <em>token</em>, <em>member</em><big>)</big><a class="headerlink" href="#sans.models.BEPolyelectrolyte.BEPolyelectrolyte.setParamWithToken" title="Permalink to this definition">¶</a></dt> |
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| 227 | <dd></dd></dl> |
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| 228 | |
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| 240 | <h3><a href="../index.html">Table Of Contents</a></h3> |
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| 241 | <ul> |
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| 242 | <li><a class="reference internal" href="#">BEPolyelectrolyte</a><ul> |
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| 243 | <li><a class="reference internal" href="#module-sans.models.BEPolyelectrolyte"><tt class="docutils literal"><span class="pre">sans.models.BEPolyelectrolyte</span></tt></a></li> |
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