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50 | <div class="body"> |
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51 | |
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52 | <div class="section" id="invariant"> |
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53 | <h1>invariant<a class="headerlink" href="#invariant" title="Permalink to this headline">¶</a></h1> |
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54 | <div class="section" id="module-sans.invariant.invariant"> |
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55 | <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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56 | <p>This module implements invariant and its related computations.</p> |
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57 | <table class="docutils field-list" frame="void" rules="none"> |
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58 | <col class="field-name" /> |
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59 | <col class="field-body" /> |
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60 | <tbody valign="top"> |
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61 | <tr class="field"><th class="field-name">author:</th><td class="field-body">Gervaise B. Alina/UTK</td> |
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62 | </tr> |
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63 | <tr class="field"><th class="field-name">author:</th><td class="field-body">Mathieu Doucet/UTK</td> |
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64 | </tr> |
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65 | <tr class="field"><th class="field-name">author:</th><td class="field-body">Jae Cho/UTK</td> |
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66 | </tr> |
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67 | </tbody> |
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68 | </table> |
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69 | <dl class="class"> |
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70 | <dt id="sans.invariant.invariant.Extrapolator"> |
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71 | <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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72 | <dd><p>Extrapolate I(q) distribution using a given model</p> |
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73 | <dl class="method"> |
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74 | <dt id="sans.invariant.invariant.Extrapolator.fit"> |
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75 | <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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76 | <dd><p>Fit data for y = ax + b return a and b</p> |
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77 | <table class="docutils field-list" frame="void" rules="none"> |
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78 | <col class="field-name" /> |
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79 | <col class="field-body" /> |
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80 | <tbody valign="top"> |
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81 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple"> |
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82 | <li><strong>power</strong> – a fixed, otherwise None</li> |
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83 | <li><strong>qmin</strong> – Minimum Q-value</li> |
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84 | <li><strong>qmax</strong> – Maximum Q-value</li> |
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85 | </ul> |
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86 | </td> |
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87 | </tr> |
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88 | </tbody> |
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89 | </table> |
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90 | </dd></dl> |
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91 | |
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92 | </dd></dl> |
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93 | |
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94 | <dl class="class"> |
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95 | <dt id="sans.invariant.invariant.Guinier"> |
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96 | <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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97 | <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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98 | <p>class of type Transform that performs operations related to guinier |
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99 | function</p> |
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100 | <dl class="method"> |
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101 | <dt id="sans.invariant.invariant.Guinier.evaluate_model"> |
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102 | <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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103 | <dd><p>return F(x)= scale* e-((radius*x)**2/3)</p> |
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104 | </dd></dl> |
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105 | |
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106 | <dl class="method"> |
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107 | <dt id="sans.invariant.invariant.Guinier.evaluate_model_errors"> |
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108 | <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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109 | <dd><p>Returns the error on I(q) for the given array of q-values</p> |
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110 | <table class="docutils field-list" frame="void" rules="none"> |
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111 | <col class="field-name" /> |
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112 | <col class="field-body" /> |
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113 | <tbody valign="top"> |
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114 | <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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115 | </tr> |
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116 | </tbody> |
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117 | </table> |
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118 | </dd></dl> |
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119 | |
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120 | <dl class="method"> |
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121 | <dt id="sans.invariant.invariant.Guinier.extract_model_parameters"> |
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122 | <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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123 | <dd><p>assign new value to the scale and the radius</p> |
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124 | </dd></dl> |
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125 | |
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126 | <dl class="method"> |
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127 | <dt id="sans.invariant.invariant.Guinier.get_allowed_bins"> |
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128 | <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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129 | <dd><p>Goes through the data points and returns a list of boolean values |
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130 | to indicate whether each points is allowed by the model or not.</p> |
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131 | <table class="docutils field-list" frame="void" rules="none"> |
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132 | <col class="field-name" /> |
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133 | <col class="field-body" /> |
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134 | <tbody valign="top"> |
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135 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>data</strong> – Data1D object</td> |
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136 | </tr> |
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137 | </tbody> |
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138 | </table> |
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139 | </dd></dl> |
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140 | |
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141 | <dl class="method"> |
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142 | <dt id="sans.invariant.invariant.Guinier.linearize_data"> |
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143 | <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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144 | <dd><p>Linearize data so that a linear fit can be performed. |
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145 | Filter out the data that can’t be transformed.</p> |
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146 | <table class="docutils field-list" frame="void" rules="none"> |
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147 | <col class="field-name" /> |
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148 | <col class="field-body" /> |
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149 | <tbody valign="top"> |
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150 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>data</strong> – LoadData1D instance</td> |
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151 | </tr> |
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152 | </tbody> |
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153 | </table> |
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154 | </dd></dl> |
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155 | |
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156 | <dl class="method"> |
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157 | <dt id="sans.invariant.invariant.Guinier.linearize_q_value"> |
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158 | <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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159 | <dd><p>Transform the input q-value for linearization</p> |
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160 | <table class="docutils field-list" frame="void" rules="none"> |
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161 | <col class="field-name" /> |
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162 | <col class="field-body" /> |
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163 | <tbody valign="top"> |
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164 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>value</strong> – q-value</td> |
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165 | </tr> |
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166 | <tr class="field"><th class="field-name">Returns:</th><td class="field-body">q*q</td> |
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167 | </tr> |
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168 | </tbody> |
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169 | </table> |
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170 | </dd></dl> |
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171 | |
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172 | </dd></dl> |
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173 | |
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174 | <dl class="class"> |
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175 | <dt id="sans.invariant.invariant.InvariantCalculator"> |
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176 | <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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177 | <dd><p>Bases: <tt class="xref py py-class docutils literal"><span class="pre">object</span></tt></p> |
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178 | <p>Compute invariant if data is given. |
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179 | Can provide volume fraction and surface area if the user provides |
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180 | Porod constant and contrast values.</p> |
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181 | <table class="docutils field-list" frame="void" rules="none"> |
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182 | <col class="field-name" /> |
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183 | <col class="field-body" /> |
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184 | <tbody valign="top"> |
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185 | <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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186 | the user provide background and scale values.</td> |
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187 | </tr> |
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188 | <tr class="field"><th class="field-name">Note :</th><td class="field-body">Some computations depends on each others.</td> |
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189 | </tr> |
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190 | </tbody> |
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191 | </table> |
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192 | <dl class="method"> |
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193 | <dt id="sans.invariant.invariant.InvariantCalculator.get_data"> |
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194 | <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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195 | <dd><table class="docutils field-list" frame="void" rules="none"> |
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196 | <col class="field-name" /> |
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197 | <col class="field-body" /> |
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198 | <tbody valign="top"> |
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199 | <tr class="field"><th class="field-name">Returns:</th><td class="field-body">self._data</td> |
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200 | </tr> |
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201 | </tbody> |
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202 | </table> |
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203 | </dd></dl> |
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204 | |
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205 | <dl class="method"> |
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206 | <dt id="sans.invariant.invariant.InvariantCalculator.get_extra_data_high"> |
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207 | <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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208 | <dd><p>Returns the extrapolated data used for the high-Q invariant calculation. |
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209 | By default, the distribution will cover the data points used for the |
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210 | extrapolation. The number of overlap points is a parameter (npts_in). |
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211 | By default, the maximum q-value of the distribution will be Q_MAXIMUM, |
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212 | the maximum q-value used when extrapolating for the purpose of the |
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213 | invariant calculation.</p> |
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214 | <table class="docutils field-list" frame="void" rules="none"> |
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215 | <col class="field-name" /> |
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216 | <col class="field-body" /> |
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217 | <tbody valign="top"> |
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218 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple"> |
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219 | <li><strong>npts_in</strong> – number of data points for which the |
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220 | extrapolated data overlap</li> |
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221 | <li><strong>q_end</strong> – is the maximum value to uses for extrapolated data</li> |
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222 | <li><strong>npts</strong> – the number of points in the extrapolated distribution</li> |
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223 | </ul> |
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224 | </td> |
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225 | </tr> |
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226 | </tbody> |
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227 | </table> |
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228 | </dd></dl> |
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229 | |
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230 | <dl class="method"> |
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231 | <dt id="sans.invariant.invariant.InvariantCalculator.get_extra_data_low"> |
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232 | <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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233 | <dd><p>Returns the extrapolated data used for the loew-Q invariant calculation. |
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234 | By default, the distribution will cover the data points used for the |
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235 | extrapolation. The number of overlap points is a parameter (npts_in). |
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236 | By default, the maximum q-value of the distribution will be |
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237 | the minimum q-value used when extrapolating for the purpose of the |
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238 | invariant calculation.</p> |
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239 | <table class="docutils field-list" frame="void" rules="none"> |
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240 | <col class="field-name" /> |
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241 | <col class="field-body" /> |
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242 | <tbody valign="top"> |
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243 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple"> |
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244 | <li><strong>npts_in</strong> – number of data points for which |
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245 | the extrapolated data overlap</li> |
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246 | <li><strong>q_start</strong> – is the minimum value to uses for extrapolated data</li> |
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247 | <li><strong>npts</strong> – the number of points in the extrapolated distribution</li> |
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248 | </ul> |
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249 | </td> |
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250 | </tr> |
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251 | </tbody> |
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252 | </table> |
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253 | </dd></dl> |
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254 | |
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255 | <dl class="method"> |
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256 | <dt id="sans.invariant.invariant.InvariantCalculator.get_extrapolation_power"> |
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257 | <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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258 | <dd><table class="docutils field-list" frame="void" rules="none"> |
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259 | <col class="field-name" /> |
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260 | <col class="field-body" /> |
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261 | <tbody valign="top"> |
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262 | <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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263 | extrapolation range</td> |
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264 | </tr> |
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265 | </tbody> |
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266 | </table> |
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267 | </dd></dl> |
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268 | |
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269 | <dl class="method"> |
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270 | <dt id="sans.invariant.invariant.InvariantCalculator.get_qstar"> |
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271 | <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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272 | <dd><p>Compute the invariant of the local copy of data.</p> |
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273 | <table class="docutils field-list" frame="void" rules="none"> |
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274 | <col class="field-name" /> |
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275 | <col class="field-body" /> |
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276 | <tbody valign="top"> |
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277 | <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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278 | </tr> |
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279 | <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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280 | </tr> |
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281 | <tr class="field"><th class="field-name">Warning :</th><td class="field-body">When using setting data to Data1D , |
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282 | the user is responsible of |
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283 | checking that the scale and the background are |
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284 | properly apply to the data</td> |
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285 | </tr> |
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286 | </tbody> |
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287 | </table> |
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288 | </dd></dl> |
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289 | |
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290 | <dl class="method"> |
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291 | <dt id="sans.invariant.invariant.InvariantCalculator.get_qstar_high"> |
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292 | <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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293 | <dd><p>Compute the invariant for extrapolated data at high q range.</p> |
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294 | <dl class="docutils"> |
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295 | <dt>Implementation:</dt> |
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296 | <dd>data = self._get_extra_data_high() |
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297 | return self._get_qstar()</dd> |
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298 | </dl> |
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299 | <table class="docutils field-list" frame="void" rules="none"> |
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300 | <col class="field-name" /> |
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301 | <col class="field-body" /> |
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302 | <tbody valign="top"> |
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303 | <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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304 | </tr> |
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305 | </tbody> |
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306 | </table> |
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307 | </dd></dl> |
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308 | |
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309 | <dl class="method"> |
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310 | <dt id="sans.invariant.invariant.InvariantCalculator.get_qstar_low"> |
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311 | <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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312 | <dd><p>Compute the invariant for extrapolated data at low q range.</p> |
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313 | <dl class="docutils"> |
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314 | <dt>Implementation:</dt> |
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315 | <dd>data = self._get_extra_data_low() |
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316 | return self._get_qstar()</dd> |
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317 | </dl> |
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318 | <table class="docutils field-list" frame="void" rules="none"> |
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319 | <col class="field-name" /> |
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320 | <col class="field-body" /> |
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321 | <tbody valign="top"> |
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322 | <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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323 | </tr> |
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324 | </tbody> |
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325 | </table> |
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326 | </dd></dl> |
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327 | |
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328 | <dl class="method"> |
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329 | <dt id="sans.invariant.invariant.InvariantCalculator.get_qstar_with_error"> |
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330 | <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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331 | <dd><p>Compute the invariant uncertainty. |
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332 | This uncertainty computation depends on whether or not the data is |
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333 | smeared.</p> |
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334 | <table class="docutils field-list" frame="void" rules="none"> |
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335 | <col class="field-name" /> |
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336 | <col class="field-body" /> |
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337 | <tbody valign="top"> |
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338 | <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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339 | </tr> |
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340 | <tr class="field"><th class="field-name">Returns:</th><td class="field-body">invariant, the invariant uncertainty</td> |
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341 | </tr> |
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342 | </tbody> |
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343 | </table> |
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344 | </dd></dl> |
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345 | |
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346 | <dl class="method"> |
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347 | <dt id="sans.invariant.invariant.InvariantCalculator.get_surface"> |
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348 | <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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349 | <dd><p>Compute the specific surface from the data.</p> |
---|
350 | <p>Implementation:</p> |
---|
351 | <div class="highlight-python"><pre>V = self.get_volume_fraction(contrast, extrapolation) |
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352 | |
---|
353 | Compute the surface given by: |
---|
354 | surface = (2*pi *V(1- V)*porod_const)/ q_star</pre> |
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355 | </div> |
---|
356 | <table class="docutils field-list" frame="void" rules="none"> |
---|
357 | <col class="field-name" /> |
---|
358 | <col class="field-body" /> |
---|
359 | <tbody valign="top"> |
---|
360 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple"> |
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361 | <li><strong>contrast</strong> – contrast value to compute the volume</li> |
---|
362 | <li><strong>porod_const</strong> – Porod constant to compute the surface</li> |
---|
363 | <li><strong>extrapolation</strong> – string to apply optional extrapolation</li> |
---|
364 | </ul> |
---|
365 | </td> |
---|
366 | </tr> |
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367 | <tr class="field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last">specific surface</p> |
---|
368 | </td> |
---|
369 | </tr> |
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370 | </tbody> |
---|
371 | </table> |
---|
372 | </dd></dl> |
---|
373 | |
---|
374 | <dl class="method"> |
---|
375 | <dt id="sans.invariant.invariant.InvariantCalculator.get_surface_with_error"> |
---|
376 | <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> |
---|
377 | <dd><p>Compute uncertainty of the surface value as well as the surface value. |
---|
378 | The uncertainty is given as follow:</p> |
---|
379 | <div class="highlight-python"><pre>dS = porod_const *2*pi[( dV -2*V*dV)/q_star |
---|
380 | + dq_star(v-v**2) |
---|
381 | |
---|
382 | q_star: the invariant value |
---|
383 | dq_star: the invariant uncertainty |
---|
384 | V: the volume fraction value |
---|
385 | dV: the volume uncertainty</pre> |
---|
386 | </div> |
---|
387 | <table class="docutils field-list" frame="void" rules="none"> |
---|
388 | <col class="field-name" /> |
---|
389 | <col class="field-body" /> |
---|
390 | <tbody valign="top"> |
---|
391 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple"> |
---|
392 | <li><strong>contrast</strong> – contrast value</li> |
---|
393 | <li><strong>porod_const</strong> – porod constant value</li> |
---|
394 | <li><strong>extrapolation</strong> – string to apply optional extrapolation</li> |
---|
395 | </ul> |
---|
396 | </td> |
---|
397 | </tr> |
---|
398 | <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> |
---|
399 | </td> |
---|
400 | </tr> |
---|
401 | </tbody> |
---|
402 | </table> |
---|
403 | </dd></dl> |
---|
404 | |
---|
405 | <dl class="method"> |
---|
406 | <dt id="sans.invariant.invariant.InvariantCalculator.get_volume_fraction"> |
---|
407 | <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> |
---|
408 | <dd><p>Compute volume fraction is deduced as follow:</p> |
---|
409 | <div class="highlight-python"><pre>q_star = 2*(pi*contrast)**2* volume( 1- volume) |
---|
410 | for k = 10^(-8)*q_star/(2*(pi*|contrast|)**2) |
---|
411 | we get 2 values of volume: |
---|
412 | with 1 - 4 * k >= 0 |
---|
413 | volume1 = (1- sqrt(1- 4*k))/2 |
---|
414 | volume2 = (1+ sqrt(1- 4*k))/2 |
---|
415 | |
---|
416 | q_star: the invariant value included extrapolation is applied |
---|
417 | unit 1/A^(3)*1/cm |
---|
418 | q_star = self.get_qstar() |
---|
419 | |
---|
420 | the result returned will be 0 <= volume <= 1</pre> |
---|
421 | </div> |
---|
422 | <table class="docutils field-list" frame="void" rules="none"> |
---|
423 | <col class="field-name" /> |
---|
424 | <col class="field-body" /> |
---|
425 | <tbody valign="top"> |
---|
426 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple"> |
---|
427 | <li><strong>contrast</strong> – contrast value provides by the user of type float. |
---|
428 | contrast unit is 1/A^(2)= 10^(16)cm^(2)</li> |
---|
429 | <li><strong>extrapolation</strong> – string to apply optional extrapolation</li> |
---|
430 | </ul> |
---|
431 | </td> |
---|
432 | </tr> |
---|
433 | <tr class="field"><th class="field-name">Returns:</th><td class="field-body"><p class="first">volume fraction</p> |
---|
434 | </td> |
---|
435 | </tr> |
---|
436 | <tr class="field"><th class="field-name">Note :</th><td class="field-body"><p class="first last">volume fraction must have no unit</p> |
---|
437 | </td> |
---|
438 | </tr> |
---|
439 | </tbody> |
---|
440 | </table> |
---|
441 | </dd></dl> |
---|
442 | |
---|
443 | <dl class="method"> |
---|
444 | <dt id="sans.invariant.invariant.InvariantCalculator.get_volume_fraction_with_error"> |
---|
445 | <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> |
---|
446 | <dd><p>Compute uncertainty on volume value as well as the volume fraction |
---|
447 | This uncertainty is given by the following equation:</p> |
---|
448 | <div class="highlight-python"><pre>dV = 0.5 * (4*k* dq_star) /(2* math.sqrt(1-k* q_star)) |
---|
449 | |
---|
450 | for k = 10^(-8)*q_star/(2*(pi*|contrast|)**2) |
---|
451 | |
---|
452 | q_star: the invariant value including extrapolated value if existing |
---|
453 | dq_star: the invariant uncertainty |
---|
454 | dV: the volume uncertainty</pre> |
---|
455 | </div> |
---|
456 | <p>The uncertainty will be set to -1 if it can’t be computed.</p> |
---|
457 | <table class="docutils field-list" frame="void" rules="none"> |
---|
458 | <col class="field-name" /> |
---|
459 | <col class="field-body" /> |
---|
460 | <tbody valign="top"> |
---|
461 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple"> |
---|
462 | <li><strong>contrast</strong> – contrast value</li> |
---|
463 | <li><strong>extrapolation</strong> – string to apply optional extrapolation</li> |
---|
464 | </ul> |
---|
465 | </td> |
---|
466 | </tr> |
---|
467 | <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> |
---|
468 | </td> |
---|
469 | </tr> |
---|
470 | </tbody> |
---|
471 | </table> |
---|
472 | </dd></dl> |
---|
473 | |
---|
474 | <dl class="method"> |
---|
475 | <dt id="sans.invariant.invariant.InvariantCalculator.set_extrapolation"> |
---|
476 | <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> |
---|
477 | <dd><p>Set the extrapolation parameters for the high or low Q-range. |
---|
478 | Note that this does not turn extrapolation on or off.</p> |
---|
479 | <table class="docutils field-list" frame="void" rules="none"> |
---|
480 | <col class="field-name" /> |
---|
481 | <col class="field-body" /> |
---|
482 | <tbody valign="top"> |
---|
483 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple"> |
---|
484 | <li><strong>range</strong> – a keyword set the type of extrapolation . type string</li> |
---|
485 | <li><strong>npts</strong> – the numbers of q points of data to consider |
---|
486 | for extrapolation</li> |
---|
487 | <li><strong>function</strong> – a keyword to select the function to use |
---|
488 | for extrapolation. |
---|
489 | of type string.</li> |
---|
490 | <li><strong>power</strong> – an power to apply power_low function</li> |
---|
491 | </ul> |
---|
492 | </td> |
---|
493 | </tr> |
---|
494 | </tbody> |
---|
495 | </table> |
---|
496 | </dd></dl> |
---|
497 | |
---|
498 | </dd></dl> |
---|
499 | |
---|
500 | <dl class="class"> |
---|
501 | <dt id="sans.invariant.invariant.PowerLaw"> |
---|
502 | <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> |
---|
503 | <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> |
---|
504 | <p>class of type transform that perform operation related to power_law |
---|
505 | function</p> |
---|
506 | <dl class="method"> |
---|
507 | <dt id="sans.invariant.invariant.PowerLaw.evaluate_model"> |
---|
508 | <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> |
---|
509 | <dd><p>given a scale and a radius transform x, y using a power_law |
---|
510 | function</p> |
---|
511 | </dd></dl> |
---|
512 | |
---|
513 | <dl class="method"> |
---|
514 | <dt id="sans.invariant.invariant.PowerLaw.evaluate_model_errors"> |
---|
515 | <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> |
---|
516 | <dd><p>Returns the error on I(q) for the given array of q-values |
---|
517 | :param x: array of q-values</p> |
---|
518 | </dd></dl> |
---|
519 | |
---|
520 | <dl class="method"> |
---|
521 | <dt id="sans.invariant.invariant.PowerLaw.extract_model_parameters"> |
---|
522 | <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> |
---|
523 | <dd><p>Assign new value to the scale and the power</p> |
---|
524 | </dd></dl> |
---|
525 | |
---|
526 | <dl class="method"> |
---|
527 | <dt id="sans.invariant.invariant.PowerLaw.get_allowed_bins"> |
---|
528 | <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> |
---|
529 | <dd><p>Goes through the data points and returns a list of boolean values |
---|
530 | to indicate whether each points is allowed by the model or not.</p> |
---|
531 | <table class="docutils field-list" frame="void" rules="none"> |
---|
532 | <col class="field-name" /> |
---|
533 | <col class="field-body" /> |
---|
534 | <tbody valign="top"> |
---|
535 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>data</strong> – Data1D object</td> |
---|
536 | </tr> |
---|
537 | </tbody> |
---|
538 | </table> |
---|
539 | </dd></dl> |
---|
540 | |
---|
541 | <dl class="method"> |
---|
542 | <dt id="sans.invariant.invariant.PowerLaw.linearize_data"> |
---|
543 | <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> |
---|
544 | <dd><p>Linearize data so that a linear fit can be performed. |
---|
545 | Filter out the data that can’t be transformed.</p> |
---|
546 | <table class="docutils field-list" frame="void" rules="none"> |
---|
547 | <col class="field-name" /> |
---|
548 | <col class="field-body" /> |
---|
549 | <tbody valign="top"> |
---|
550 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>data</strong> – LoadData1D instance</td> |
---|
551 | </tr> |
---|
552 | </tbody> |
---|
553 | </table> |
---|
554 | </dd></dl> |
---|
555 | |
---|
556 | <dl class="method"> |
---|
557 | <dt id="sans.invariant.invariant.PowerLaw.linearize_q_value"> |
---|
558 | <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> |
---|
559 | <dd><p>Transform the input q-value for linearization</p> |
---|
560 | <table class="docutils field-list" frame="void" rules="none"> |
---|
561 | <col class="field-name" /> |
---|
562 | <col class="field-body" /> |
---|
563 | <tbody valign="top"> |
---|
564 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>value</strong> – q-value</td> |
---|
565 | </tr> |
---|
566 | <tr class="field"><th class="field-name">Returns:</th><td class="field-body">log(q)</td> |
---|
567 | </tr> |
---|
568 | </tbody> |
---|
569 | </table> |
---|
570 | </dd></dl> |
---|
571 | |
---|
572 | </dd></dl> |
---|
573 | |
---|
574 | <dl class="class"> |
---|
575 | <dt id="sans.invariant.invariant.Transform"> |
---|
576 | <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> |
---|
577 | <dd><p>Bases: <tt class="xref py py-class docutils literal"><span class="pre">object</span></tt></p> |
---|
578 | <p>Define interface that need to compute a function or an inverse |
---|
579 | function given some x, y</p> |
---|
580 | <dl class="method"> |
---|
581 | <dt id="sans.invariant.invariant.Transform.evaluate_model"> |
---|
582 | <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> |
---|
583 | <dd><p>Returns an array f(x) values where f is the Transform function.</p> |
---|
584 | </dd></dl> |
---|
585 | |
---|
586 | <dl class="method"> |
---|
587 | <dt id="sans.invariant.invariant.Transform.evaluate_model_errors"> |
---|
588 | <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> |
---|
589 | <dd><p>Returns an array of I(q) errors</p> |
---|
590 | </dd></dl> |
---|
591 | |
---|
592 | <dl class="method"> |
---|
593 | <dt id="sans.invariant.invariant.Transform.extract_model_parameters"> |
---|
594 | <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> |
---|
595 | <dd><p>set private member</p> |
---|
596 | </dd></dl> |
---|
597 | |
---|
598 | <dl class="method"> |
---|
599 | <dt id="sans.invariant.invariant.Transform.get_allowed_bins"> |
---|
600 | <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> |
---|
601 | <dd><p>Goes through the data points and returns a list of boolean values |
---|
602 | to indicate whether each points is allowed by the model or not.</p> |
---|
603 | <table class="docutils field-list" frame="void" rules="none"> |
---|
604 | <col class="field-name" /> |
---|
605 | <col class="field-body" /> |
---|
606 | <tbody valign="top"> |
---|
607 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>data</strong> – Data1D object</td> |
---|
608 | </tr> |
---|
609 | </tbody> |
---|
610 | </table> |
---|
611 | </dd></dl> |
---|
612 | |
---|
613 | <dl class="method"> |
---|
614 | <dt id="sans.invariant.invariant.Transform.linearize_data"> |
---|
615 | <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> |
---|
616 | <dd><p>Linearize data so that a linear fit can be performed. |
---|
617 | Filter out the data that can’t be transformed.</p> |
---|
618 | <table class="docutils field-list" frame="void" rules="none"> |
---|
619 | <col class="field-name" /> |
---|
620 | <col class="field-body" /> |
---|
621 | <tbody valign="top"> |
---|
622 | <tr class="field"><th class="field-name">Parameters:</th><td class="field-body"><strong>data</strong> – LoadData1D instance</td> |
---|
623 | </tr> |
---|
624 | </tbody> |
---|
625 | </table> |
---|
626 | </dd></dl> |
---|
627 | |
---|
628 | <dl class="method"> |
---|
629 | <dt id="sans.invariant.invariant.Transform.linearize_q_value"> |
---|
630 | <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> |
---|
631 | <dd><p>Transform the input q-value for linearization</p> |
---|
632 | </dd></dl> |
---|
633 | |
---|
634 | </dd></dl> |
---|
635 | |
---|
636 | </div> |
---|
637 | </div> |
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638 | |
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639 | |
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640 | </div> |
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641 | </div> |
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642 | </div> |
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643 | <div class="sphinxsidebar"> |
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644 | <div class="sphinxsidebarwrapper"> |
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645 | <h3><a href="../index.html">Table Of Contents</a></h3> |
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646 | <ul> |
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647 | <li><a class="reference internal" href="#">invariant</a><ul> |
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648 | <li><a class="reference internal" href="#module-sans.invariant.invariant"><tt class="docutils literal"><span class="pre">sans.invariant.invariant</span></tt></a></li> |
---|
649 | </ul> |
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650 | </li> |
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651 | </ul> |
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652 | |
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653 | <h4>Previous topic</h4> |
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654 | <p class="topless"><a href="index.html" |
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655 | title="previous chapter">Reference</a></p> |
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656 | <h3>This Page</h3> |
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657 | <ul class="this-page-menu"> |
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658 | <li><a href="../_sources/api/invariant.txt" |
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659 | rel="nofollow">Show Source</a></li> |
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660 | </ul> |
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670 | Enter search terms or a module, class or function name. |
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671 | </p> |
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674 | </div> |
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676 | <div class="clearer"></div> |
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678 | <div class="related"> |
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679 | <h3>Navigation</h3> |
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680 | <ul> |
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681 | <li class="right" style="margin-right: 10px"> |
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682 | <a href="../genindex.html" title="General Index" |
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683 | >index</a></li> |
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684 | <li class="right" > |
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685 | <a href="../py-modindex.html" title="Python Module Index" |
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686 | >modules</a> |</li> |
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