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51 | <h1>Source code for sas.models.MultiplicationModel</h1><div class="highlight"><pre> |
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52 | <span class="kn">from</span> <span class="nn">sas.models.BaseComponent</span> <span class="kn">import</span> <span class="n">BaseComponent</span> |
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53 | <span class="c">#import numpy, math</span> |
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54 | <span class="kn">import</span> <span class="nn">copy</span> |
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55 | <span class="c">#from sas.models.pluginmodel import Model1DPlugin</span> |
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56 | <span class="k">class</span> <span class="nc">MultiplicationModel</span><span class="p">(</span><span class="n">BaseComponent</span><span class="p">):</span> |
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57 | <div class="viewcode-block" id="MultiplicationModel"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.MultiplicationModel.MultiplicationModel">[docs]</a> <span class="sd">"""</span> |
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58 | <span class="sd"> Use for P(Q)*S(Q); function call must be in the order of P(Q) and then S(Q):</span> |
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59 | <span class="sd"> The model parameters are combined from both models, P(Q) and S(Q), except 1) 'effect_radius' of S(Q)</span> |
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60 | <span class="sd"> which will be calculated from P(Q) via calculate_ER(), </span> |
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61 | <span class="sd"> and 2) 'scale' in P model which is synchronized w/ volfraction in S </span> |
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62 | <span class="sd"> then P*S is multiplied by a new param, 'scale_factor'.</span> |
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63 | <span class="sd"> The polydispersion is applicable only to P(Q), not to S(Q).</span> |
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64 | <span class="sd"> Note: P(Q) refers to 'form factor' model while S(Q) does to 'structure factor'.</span> |
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65 | <span class="sd"> """</span> |
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66 | <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">p_model</span><span class="p">,</span> <span class="n">s_model</span> <span class="p">):</span> |
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67 | <span class="n">BaseComponent</span><span class="o">.</span><span class="n">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> |
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68 | <span class="sd">"""</span> |
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69 | <span class="sd"> :param p_model: form factor, P(Q)</span> |
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70 | <span class="sd"> :param s_model: structure factor, S(Q)</span> |
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71 | <span class="sd"> """</span> |
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72 | |
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73 | <span class="c">## Setting model name model description</span> |
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74 | <span class="bp">self</span><span class="o">.</span><span class="n">description</span> <span class="o">=</span> <span class="s">""</span> |
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75 | <span class="bp">self</span><span class="o">.</span><span class="n">name</span> <span class="o">=</span> <span class="n">p_model</span><span class="o">.</span><span class="n">name</span> <span class="o">+</span><span class="s">" * "</span><span class="o">+</span> <span class="n">s_model</span><span class="o">.</span><span class="n">name</span> |
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76 | <span class="bp">self</span><span class="o">.</span><span class="n">description</span><span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">name</span> <span class="o">+</span> <span class="s">"</span><span class="se">\n</span><span class="s">"</span> |
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77 | <span class="bp">self</span><span class="o">.</span><span class="n">fill_description</span><span class="p">(</span><span class="n">p_model</span><span class="p">,</span> <span class="n">s_model</span><span class="p">)</span> |
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78 | |
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79 | <span class="c">## Define parameters</span> |
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80 | <span class="bp">self</span><span class="o">.</span><span class="n">params</span> <span class="o">=</span> <span class="p">{}</span> |
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81 | |
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82 | <span class="c">## Parameter details [units, min, max]</span> |
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83 | <span class="bp">self</span><span class="o">.</span><span class="n">details</span> <span class="o">=</span> <span class="p">{}</span> |
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84 | |
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85 | <span class="c">##models </span> |
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86 | <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span> <span class="o">=</span> <span class="n">p_model</span> |
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87 | <span class="bp">self</span><span class="o">.</span><span class="n">s_model</span> <span class="o">=</span> <span class="n">s_model</span> |
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88 | <span class="bp">self</span><span class="o">.</span><span class="n">magnetic_params</span> <span class="o">=</span> <span class="p">[]</span> |
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89 | <span class="c">## dispersion</span> |
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90 | <span class="bp">self</span><span class="o">.</span><span class="n">_set_dispersion</span><span class="p">()</span> |
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91 | <span class="c">## Define parameters</span> |
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92 | <span class="bp">self</span><span class="o">.</span><span class="n">_set_params</span><span class="p">()</span> |
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93 | <span class="c">## New parameter:Scaling factor</span> |
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94 | <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">'scale_factor'</span><span class="p">]</span> <span class="o">=</span> <span class="mi">1</span> |
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95 | |
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96 | <span class="c">## Parameter details [units, min, max]</span> |
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97 | <span class="bp">self</span><span class="o">.</span><span class="n">_set_details</span><span class="p">()</span> |
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98 | <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="s">'scale_factor'</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="s">''</span><span class="p">,</span> <span class="bp">None</span><span class="p">,</span> <span class="bp">None</span><span class="p">]</span> |
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99 | |
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100 | <span class="c">#list of parameter that can be fitted</span> |
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101 | <span class="bp">self</span><span class="o">.</span><span class="n">_set_fixed_params</span><span class="p">()</span> |
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102 | <span class="c">## parameters with orientation</span> |
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103 | <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">orientation_params</span><span class="p">:</span> |
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104 | <span class="bp">self</span><span class="o">.</span><span class="n">orientation_params</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">item</span><span class="p">)</span> |
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105 | <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">magnetic_params</span><span class="p">:</span> |
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106 | <span class="bp">self</span><span class="o">.</span><span class="n">magnetic_params</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">item</span><span class="p">)</span> |
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107 | <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">s_model</span><span class="o">.</span><span class="n">orientation_params</span><span class="p">:</span> |
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108 | <span class="k">if</span> <span class="ow">not</span> <span class="n">item</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">orientation_params</span><span class="p">:</span> |
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109 | <span class="bp">self</span><span class="o">.</span><span class="n">orientation_params</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">item</span><span class="p">)</span> |
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110 | <span class="c"># get multiplicity if model provide it, else 1.</span> |
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111 | <span class="k">try</span><span class="p">:</span> |
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112 | <span class="n">multiplicity</span> <span class="o">=</span> <span class="n">p_model</span><span class="o">.</span><span class="n">multiplicity</span> |
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113 | <span class="k">except</span><span class="p">:</span> |
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114 | <span class="n">multiplicity</span> <span class="o">=</span> <span class="mi">1</span> |
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115 | <span class="c">## functional multiplicity of the model</span> |
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116 | <span class="bp">self</span><span class="o">.</span><span class="n">multiplicity</span> <span class="o">=</span> <span class="n">multiplicity</span> |
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117 | |
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118 | <span class="c"># non-fittable parameters</span> |
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119 | <span class="bp">self</span><span class="o">.</span><span class="n">non_fittable</span> <span class="o">=</span> <span class="n">p_model</span><span class="o">.</span><span class="n">non_fittable</span> |
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120 | <span class="bp">self</span><span class="o">.</span><span class="n">multiplicity_info</span> <span class="o">=</span> <span class="p">[]</span> |
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121 | <span class="bp">self</span><span class="o">.</span><span class="n">fun_list</span> <span class="o">=</span> <span class="p">{}</span> |
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122 | <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">non_fittable</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span> |
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123 | <span class="k">try</span><span class="p">:</span> |
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124 | <span class="bp">self</span><span class="o">.</span><span class="n">multiplicity_info</span> <span class="o">=</span> <span class="n">p_model</span><span class="o">.</span><span class="n">multiplicity_info</span> |
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125 | <span class="bp">self</span><span class="o">.</span><span class="n">fun_list</span> <span class="o">=</span> <span class="n">p_model</span><span class="o">.</span><span class="n">fun_list</span> |
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126 | <span class="k">except</span><span class="p">:</span> |
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127 | <span class="k">pass</span> |
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128 | <span class="k">else</span><span class="p">:</span> |
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129 | <span class="bp">self</span><span class="o">.</span><span class="n">multiplicity_info</span> <span class="o">=</span> <span class="p">[]</span> |
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130 | |
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131 | <span class="k">def</span> <span class="nf">_clone</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">obj</span><span class="p">):</span> |
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132 | <span class="sd">"""</span> |
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133 | <span class="sd"> Internal utility function to copy the internal</span> |
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134 | <span class="sd"> data members to a fresh copy.</span> |
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135 | <span class="sd"> """</span> |
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136 | <span class="n">obj</span><span class="o">.</span><span class="n">params</span> <span class="o">=</span> <span class="n">copy</span><span class="o">.</span><span class="n">deepcopy</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">)</span> |
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137 | <span class="n">obj</span><span class="o">.</span><span class="n">description</span> <span class="o">=</span> <span class="n">copy</span><span class="o">.</span><span class="n">deepcopy</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">description</span><span class="p">)</span> |
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138 | <span class="n">obj</span><span class="o">.</span><span class="n">details</span> <span class="o">=</span> <span class="n">copy</span><span class="o">.</span><span class="n">deepcopy</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">)</span> |
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139 | <span class="n">obj</span><span class="o">.</span><span class="n">dispersion</span> <span class="o">=</span> <span class="n">copy</span><span class="o">.</span><span class="n">deepcopy</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">dispersion</span><span class="p">)</span> |
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140 | <span class="n">obj</span><span class="o">.</span><span class="n">p_model</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">clone</span><span class="p">()</span> |
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141 | <span class="n">obj</span><span class="o">.</span><span class="n">s_model</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">s_model</span><span class="o">.</span><span class="n">clone</span><span class="p">()</span> |
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142 | <span class="c">#obj = copy.deepcopy(self)</span> |
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143 | <span class="k">return</span> <span class="n">obj</span> |
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144 | |
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145 | |
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146 | <span class="k">def</span> <span class="nf">_set_dispersion</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
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147 | <span class="sd">"""</span> |
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148 | <span class="sd"> combined the two models dispersions</span> |
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149 | <span class="sd"> Polydispersion should not be applied to s_model</span> |
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150 | <span class="sd"> """</span> |
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151 | <span class="c">##set dispersion only from p_model </span> |
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152 | <span class="k">for</span> <span class="n">name</span> <span class="p">,</span> <span class="n">value</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">dispersion</span><span class="o">.</span><span class="n">iteritems</span><span class="p">():</span> |
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153 | <span class="bp">self</span><span class="o">.</span><span class="n">dispersion</span><span class="p">[</span><span class="n">name</span><span class="p">]</span> <span class="o">=</span> <span class="n">value</span> |
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154 | |
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155 | <span class="k">def</span> <span class="nf">getProfile</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
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156 | <div class="viewcode-block" id="MultiplicationModel.getProfile"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.MultiplicationModel.MultiplicationModel.getProfile">[docs]</a> <span class="sd">"""</span> |
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157 | <span class="sd"> Get SLD profile of p_model if exists</span> |
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158 | <span class="sd"> </span> |
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159 | <span class="sd"> : return: (r, beta) where r is a list of radius of the transition points</span> |
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160 | <span class="sd"> beta is a list of the corresponding SLD values </span> |
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161 | <span class="sd"> : Note: This works only for func_shell# = 2 (exp function).</span> |
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162 | <span class="sd"> """</span> |
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163 | <span class="k">try</span><span class="p">:</span> |
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164 | <span class="n">x</span><span class="p">,</span> <span class="n">y</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">getProfile</span><span class="p">()</span> |
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165 | <span class="k">except</span><span class="p">:</span> |
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166 | <span class="n">x</span> <span class="o">=</span> <span class="bp">None</span> |
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167 | <span class="n">y</span> <span class="o">=</span> <span class="bp">None</span> |
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168 | |
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169 | <span class="k">return</span> <span class="n">x</span><span class="p">,</span> <span class="n">y</span> |
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170 | |
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171 | <span class="k">def</span> <span class="nf">_set_params</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span></div> |
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172 | <span class="sd">"""</span> |
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173 | <span class="sd"> Concatenate the parameters of the two models to create</span> |
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174 | <span class="sd"> this model parameters </span> |
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175 | <span class="sd"> """</span> |
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176 | |
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177 | <span class="k">for</span> <span class="n">name</span> <span class="p">,</span> <span class="n">value</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">params</span><span class="o">.</span><span class="n">iteritems</span><span class="p">():</span> |
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178 | <span class="k">if</span> <span class="ow">not</span> <span class="n">name</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="o">.</span><span class="n">keys</span><span class="p">()</span> <span class="ow">and</span> <span class="n">name</span> <span class="o">!=</span> <span class="s">'scale'</span><span class="p">:</span> |
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179 | <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="n">name</span><span class="p">]</span> <span class="o">=</span> <span class="n">value</span> |
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180 | |
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181 | <span class="k">for</span> <span class="n">name</span> <span class="p">,</span> <span class="n">value</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">s_model</span><span class="o">.</span><span class="n">params</span><span class="o">.</span><span class="n">iteritems</span><span class="p">():</span> |
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182 | <span class="c">#Remove the effect_radius from the (P*S) model parameters.</span> |
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183 | <span class="k">if</span> <span class="ow">not</span> <span class="n">name</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="o">.</span><span class="n">keys</span><span class="p">()</span> <span class="ow">and</span> <span class="n">name</span> <span class="o">!=</span> <span class="s">'effect_radius'</span><span class="p">:</span> |
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184 | <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="n">name</span><span class="p">]</span> <span class="o">=</span> <span class="n">value</span> |
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185 | |
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186 | <span class="c"># Set "scale and effec_radius to P and S model as initializing</span> |
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187 | <span class="c"># since run P*S comes from P and S separately.</span> |
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188 | <span class="bp">self</span><span class="o">.</span><span class="n">_set_scale_factor</span><span class="p">()</span> |
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189 | <span class="bp">self</span><span class="o">.</span><span class="n">_set_effect_radius</span><span class="p">()</span> |
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190 | |
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191 | <span class="k">def</span> <span class="nf">_set_details</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
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192 | <span class="sd">"""</span> |
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193 | <span class="sd"> Concatenate details of the two models to create</span> |
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194 | <span class="sd"> this model details </span> |
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195 | <span class="sd"> """</span> |
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196 | <span class="k">for</span> <span class="n">name</span><span class="p">,</span> <span class="n">detail</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">details</span><span class="o">.</span><span class="n">iteritems</span><span class="p">():</span> |
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197 | <span class="k">if</span> <span class="n">name</span> <span class="o">!=</span> <span class="s">'scale'</span><span class="p">:</span> |
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198 | <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="n">name</span><span class="p">]</span> <span class="o">=</span> <span class="n">detail</span> |
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199 | |
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200 | <span class="k">for</span> <span class="n">name</span> <span class="p">,</span> <span class="n">detail</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">s_model</span><span class="o">.</span><span class="n">details</span><span class="o">.</span><span class="n">iteritems</span><span class="p">():</span> |
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201 | <span class="k">if</span> <span class="ow">not</span> <span class="n">name</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="o">.</span><span class="n">keys</span><span class="p">()</span> <span class="ow">or</span> <span class="n">name</span> <span class="o">!=</span> <span class="s">'effect_radius'</span><span class="p">:</span> |
---|
202 | <span class="bp">self</span><span class="o">.</span><span class="n">details</span><span class="p">[</span><span class="n">name</span><span class="p">]</span> <span class="o">=</span> <span class="n">detail</span> |
---|
203 | |
---|
204 | <span class="k">def</span> <span class="nf">_set_scale_factor</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
---|
205 | <span class="sd">"""</span> |
---|
206 | <span class="sd"> Set scale=volfraction to P model</span> |
---|
207 | <span class="sd"> """</span> |
---|
208 | <span class="n">value</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">'volfraction'</span><span class="p">]</span> |
---|
209 | <span class="k">if</span> <span class="n">value</span> <span class="o">!=</span> <span class="bp">None</span><span class="p">:</span> |
---|
210 | <span class="n">factor</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">calculate_VR</span><span class="p">()</span> |
---|
211 | <span class="k">if</span> <span class="n">factor</span> <span class="o">==</span> <span class="bp">None</span> <span class="ow">or</span> <span class="n">factor</span> <span class="o">==</span> <span class="bp">NotImplemented</span> <span class="ow">or</span> <span class="n">factor</span> <span class="o">==</span> <span class="mf">0.0</span><span class="p">:</span> |
---|
212 | <span class="n">val</span> <span class="o">=</span> <span class="n">value</span> |
---|
213 | <span class="k">else</span><span class="p">:</span> |
---|
214 | <span class="n">val</span> <span class="o">=</span> <span class="n">value</span> <span class="o">/</span> <span class="n">factor</span> |
---|
215 | <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">setParam</span><span class="p">(</span><span class="s">'scale'</span><span class="p">,</span> <span class="n">value</span><span class="p">)</span> |
---|
216 | <span class="bp">self</span><span class="o">.</span><span class="n">s_model</span><span class="o">.</span><span class="n">setParam</span><span class="p">(</span><span class="s">'volfraction'</span><span class="p">,</span> <span class="n">val</span><span class="p">)</span> |
---|
217 | |
---|
218 | <span class="k">def</span> <span class="nf">_set_effect_radius</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
---|
219 | <span class="sd">"""</span> |
---|
220 | <span class="sd"> Set effective radius to S(Q) model</span> |
---|
221 | <span class="sd"> """</span> |
---|
222 | <span class="k">if</span> <span class="ow">not</span> <span class="s">'effect_radius'</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">s_model</span><span class="o">.</span><span class="n">params</span><span class="o">.</span><span class="n">keys</span><span class="p">():</span> |
---|
223 | <span class="k">return</span> |
---|
224 | <span class="n">effective_radius</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">calculate_ER</span><span class="p">()</span> |
---|
225 | <span class="c">#Reset the effective_radius of s_model just before the run</span> |
---|
226 | <span class="k">if</span> <span class="n">effective_radius</span> <span class="o">!=</span> <span class="bp">None</span> <span class="ow">and</span> <span class="n">effective_radius</span> <span class="o">!=</span> <span class="bp">NotImplemented</span><span class="p">:</span> |
---|
227 | <span class="bp">self</span><span class="o">.</span><span class="n">s_model</span><span class="o">.</span><span class="n">setParam</span><span class="p">(</span><span class="s">'effect_radius'</span><span class="p">,</span> <span class="n">effective_radius</span><span class="p">)</span> |
---|
228 | |
---|
229 | <span class="k">def</span> <span class="nf">setParam</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">name</span><span class="p">,</span> <span class="n">value</span><span class="p">):</span> |
---|
230 | <div class="viewcode-block" id="MultiplicationModel.setParam"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.MultiplicationModel.MultiplicationModel.setParam">[docs]</a> <span class="sd">""" </span> |
---|
231 | <span class="sd"> Set the value of a model parameter</span> |
---|
232 | <span class="sd"> </span> |
---|
233 | <span class="sd"> :param name: name of the parameter</span> |
---|
234 | <span class="sd"> :param value: value of the parameter</span> |
---|
235 | <span class="sd"> """</span> |
---|
236 | <span class="c"># set param to P*S model</span> |
---|
237 | <span class="bp">self</span><span class="o">.</span><span class="n">_setParamHelper</span><span class="p">(</span> <span class="n">name</span><span class="p">,</span> <span class="n">value</span><span class="p">)</span> |
---|
238 | |
---|
239 | <span class="c">## setParam to p model </span> |
---|
240 | <span class="c"># set 'scale' in P(Q) equal to volfraction </span> |
---|
241 | <span class="k">if</span> <span class="n">name</span> <span class="o">==</span> <span class="s">'volfraction'</span><span class="p">:</span> |
---|
242 | <span class="bp">self</span><span class="o">.</span><span class="n">_set_scale_factor</span><span class="p">()</span> |
---|
243 | <span class="k">elif</span> <span class="n">name</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">getParamList</span><span class="p">():</span> |
---|
244 | <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">setParam</span><span class="p">(</span> <span class="n">name</span><span class="p">,</span> <span class="n">value</span><span class="p">)</span> |
---|
245 | |
---|
246 | <span class="c">## setParam to s model </span> |
---|
247 | <span class="c"># This is a little bit abundant: Todo: find better way </span> |
---|
248 | <span class="bp">self</span><span class="o">.</span><span class="n">_set_effect_radius</span><span class="p">()</span> |
---|
249 | <span class="k">if</span> <span class="n">name</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">s_model</span><span class="o">.</span><span class="n">getParamList</span><span class="p">():</span> |
---|
250 | <span class="k">if</span> <span class="n">name</span> <span class="o">!=</span> <span class="s">'volfraction'</span><span class="p">:</span> |
---|
251 | <span class="bp">self</span><span class="o">.</span><span class="n">s_model</span><span class="o">.</span><span class="n">setParam</span><span class="p">(</span> <span class="n">name</span><span class="p">,</span> <span class="n">value</span><span class="p">)</span> |
---|
252 | |
---|
253 | |
---|
254 | <span class="c">#self._setParamHelper( name, value)</span> |
---|
255 | |
---|
256 | <span class="k">def</span> <span class="nf">_setParamHelper</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">name</span><span class="p">,</span> <span class="n">value</span><span class="p">):</span></div> |
---|
257 | <span class="sd">"""</span> |
---|
258 | <span class="sd"> Helper function to setparam</span> |
---|
259 | <span class="sd"> """</span> |
---|
260 | <span class="c"># Look for dispersion parameters</span> |
---|
261 | <span class="n">toks</span> <span class="o">=</span> <span class="n">name</span><span class="o">.</span><span class="n">split</span><span class="p">(</span><span class="s">'.'</span><span class="p">)</span> |
---|
262 | <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">toks</span><span class="p">)</span><span class="o">==</span><span class="mi">2</span><span class="p">:</span> |
---|
263 | <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">dispersion</span><span class="o">.</span><span class="n">keys</span><span class="p">():</span> |
---|
264 | <span class="k">if</span> <span class="n">item</span><span class="o">.</span><span class="n">lower</span><span class="p">()</span><span class="o">==</span><span class="n">toks</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">lower</span><span class="p">():</span> |
---|
265 | <span class="k">for</span> <span class="n">par</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">dispersion</span><span class="p">[</span><span class="n">item</span><span class="p">]:</span> |
---|
266 | <span class="k">if</span> <span class="n">par</span><span class="o">.</span><span class="n">lower</span><span class="p">()</span> <span class="o">==</span> <span class="n">toks</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">lower</span><span class="p">():</span> |
---|
267 | <span class="bp">self</span><span class="o">.</span><span class="n">dispersion</span><span class="p">[</span><span class="n">item</span><span class="p">][</span><span class="n">par</span><span class="p">]</span> <span class="o">=</span> <span class="n">value</span> |
---|
268 | <span class="k">return</span> |
---|
269 | <span class="k">else</span><span class="p">:</span> |
---|
270 | <span class="c"># Look for standard parameter</span> |
---|
271 | <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="o">.</span><span class="n">keys</span><span class="p">():</span> |
---|
272 | <span class="k">if</span> <span class="n">item</span><span class="o">.</span><span class="n">lower</span><span class="p">()</span> <span class="o">==</span> <span class="n">name</span><span class="o">.</span><span class="n">lower</span><span class="p">():</span> |
---|
273 | <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="n">item</span><span class="p">]</span> <span class="o">=</span> <span class="n">value</span> |
---|
274 | <span class="k">return</span> |
---|
275 | |
---|
276 | <span class="k">raise</span> <span class="ne">ValueError</span><span class="p">,</span> <span class="s">"Model does not contain parameter </span><span class="si">%s</span><span class="s">"</span> <span class="o">%</span> <span class="n">name</span> |
---|
277 | |
---|
278 | |
---|
279 | <span class="k">def</span> <span class="nf">_set_fixed_params</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
---|
280 | <span class="sd">"""</span> |
---|
281 | <span class="sd"> fill the self.fixed list with the p_model fixed list</span> |
---|
282 | <span class="sd"> """</span> |
---|
283 | <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">fixed</span><span class="p">:</span> |
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284 | <span class="bp">self</span><span class="o">.</span><span class="n">fixed</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">item</span><span class="p">)</span> |
---|
285 | |
---|
286 | <span class="bp">self</span><span class="o">.</span><span class="n">fixed</span><span class="o">.</span><span class="n">sort</span><span class="p">()</span> |
---|
287 | |
---|
288 | |
---|
289 | <span class="k">def</span> <span class="nf">run</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x</span> <span class="o">=</span> <span class="mf">0.0</span><span class="p">):</span> |
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290 | <div class="viewcode-block" id="MultiplicationModel.run"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.MultiplicationModel.MultiplicationModel.run">[docs]</a> <span class="sd">""" </span> |
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291 | <span class="sd"> Evaluate the model</span> |
---|
292 | <span class="sd"> :param x: input q-value (float or [float, float] as [r, theta])</span> |
---|
293 | <span class="sd"> :return: (scattering function value)</span> |
---|
294 | <span class="sd"> """</span> |
---|
295 | <span class="c"># set effective radius and scaling factor before run</span> |
---|
296 | <span class="bp">self</span><span class="o">.</span><span class="n">_set_effect_radius</span><span class="p">()</span> |
---|
297 | <span class="bp">self</span><span class="o">.</span><span class="n">_set_scale_factor</span><span class="p">()</span> |
---|
298 | <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">'scale_factor'</span><span class="p">]</span> <span class="o">*</span> <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">run</span><span class="p">(</span><span class="n">x</span><span class="p">)</span> <span class="o">*</span> \ |
---|
299 | <span class="bp">self</span><span class="o">.</span><span class="n">s_model</span><span class="o">.</span><span class="n">run</span><span class="p">(</span><span class="n">x</span><span class="p">)</span> |
---|
300 | |
---|
301 | <span class="k">def</span> <span class="nf">runXY</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x</span> <span class="o">=</span> <span class="mf">0.0</span><span class="p">):</span></div> |
---|
302 | <div class="viewcode-block" id="MultiplicationModel.runXY"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.MultiplicationModel.MultiplicationModel.runXY">[docs]</a> <span class="sd">""" Evaluate the model</span> |
---|
303 | <span class="sd"> @param x: input q-value (float or [float, float] as [qx, qy])</span> |
---|
304 | <span class="sd"> @return: scattering function value</span> |
---|
305 | <span class="sd"> """</span> |
---|
306 | <span class="c"># set effective radius and scaling factor before run</span> |
---|
307 | <span class="bp">self</span><span class="o">.</span><span class="n">_set_effect_radius</span><span class="p">()</span> |
---|
308 | <span class="bp">self</span><span class="o">.</span><span class="n">_set_scale_factor</span><span class="p">()</span> |
---|
309 | <span class="n">out</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">'scale_factor'</span><span class="p">]</span> <span class="o">*</span> <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">runXY</span><span class="p">(</span><span class="n">x</span><span class="p">)</span> <span class="o">*</span> \ |
---|
310 | <span class="bp">self</span><span class="o">.</span><span class="n">s_model</span><span class="o">.</span><span class="n">runXY</span><span class="p">(</span><span class="n">x</span><span class="p">)</span> |
---|
311 | <span class="k">return</span> <span class="n">out</span> |
---|
312 | |
---|
313 | <span class="c">## Now (May27,10) directly uses the model eval function </span> |
---|
314 | <span class="c">## instead of the for-loop in Base Component.</span> |
---|
315 | <span class="k">def</span> <span class="nf">evalDistribution</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x</span> <span class="o">=</span> <span class="p">[]):</span></div> |
---|
316 | <div class="viewcode-block" id="MultiplicationModel.evalDistribution"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.MultiplicationModel.MultiplicationModel.evalDistribution">[docs]</a> <span class="sd">""" </span> |
---|
317 | <span class="sd"> Evaluate the model in cartesian coordinates</span> |
---|
318 | <span class="sd"> :param x: input q[], or [qx[], qy[]]</span> |
---|
319 | <span class="sd"> :return: scattering function P(q[])</span> |
---|
320 | <span class="sd"> """</span> |
---|
321 | <span class="c"># set effective radius and scaling factor before run</span> |
---|
322 | <span class="bp">self</span><span class="o">.</span><span class="n">_set_effect_radius</span><span class="p">()</span> |
---|
323 | <span class="bp">self</span><span class="o">.</span><span class="n">_set_scale_factor</span><span class="p">()</span> |
---|
324 | <span class="n">out</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">params</span><span class="p">[</span><span class="s">'scale_factor'</span><span class="p">]</span> <span class="o">*</span> <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">evalDistribution</span><span class="p">(</span><span class="n">x</span><span class="p">)</span> <span class="o">*</span> \ |
---|
325 | <span class="bp">self</span><span class="o">.</span><span class="n">s_model</span><span class="o">.</span><span class="n">evalDistribution</span><span class="p">(</span><span class="n">x</span><span class="p">)</span> |
---|
326 | <span class="k">return</span> <span class="n">out</span> |
---|
327 | |
---|
328 | <span class="k">def</span> <span class="nf">set_dispersion</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">parameter</span><span class="p">,</span> <span class="n">dispersion</span><span class="p">):</span></div> |
---|
329 | <div class="viewcode-block" id="MultiplicationModel.set_dispersion"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.MultiplicationModel.MultiplicationModel.set_dispersion">[docs]</a> <span class="sd">"""</span> |
---|
330 | <span class="sd"> Set the dispersion object for a model parameter</span> |
---|
331 | <span class="sd"> :param parameter: name of the parameter [string]</span> |
---|
332 | <span class="sd"> :dispersion: dispersion object of type DispersionModel</span> |
---|
333 | <span class="sd"> """</span> |
---|
334 | <span class="n">value</span> <span class="o">=</span> <span class="bp">None</span> |
---|
335 | <span class="k">try</span><span class="p">:</span> |
---|
336 | <span class="k">if</span> <span class="n">parameter</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">dispersion</span><span class="o">.</span><span class="n">keys</span><span class="p">():</span> |
---|
337 | <span class="n">value</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">p_model</span><span class="o">.</span><span class="n">set_dispersion</span><span class="p">(</span><span class="n">parameter</span><span class="p">,</span> <span class="n">dispersion</span><span class="p">)</span> |
---|
338 | <span class="bp">self</span><span class="o">.</span><span class="n">_set_dispersion</span><span class="p">()</span> |
---|
339 | <span class="k">return</span> <span class="n">value</span> |
---|
340 | <span class="k">except</span><span class="p">:</span> |
---|
341 | <span class="k">raise</span> |
---|
342 | |
---|
343 | <span class="k">def</span> <span class="nf">fill_description</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">p_model</span><span class="p">,</span> <span class="n">s_model</span><span class="p">):</span></div> |
---|
344 | <div class="viewcode-block" id="MultiplicationModel.fill_description"><a class="viewcode-back" href="../../../dev/api/sas.models.html#sas.models.MultiplicationModel.MultiplicationModel.fill_description">[docs]</a> <span class="sd">"""</span> |
---|
345 | <span class="sd"> Fill the description for P(Q)*S(Q)</span> |
---|
346 | <span class="sd"> """</span> |
---|
347 | <span class="n">description</span> <span class="o">=</span> <span class="s">""</span> |
---|
348 | <span class="n">description</span> <span class="o">+=</span> <span class="s">"Note:1) The effect_radius (effective radius) of </span><span class="si">%s</span><span class="s"> </span><span class="se">\n</span><span class="s">"</span><span class="o">%</span>\ |
---|
349 | <span class="p">(</span><span class="n">s_model</span><span class="o">.</span><span class="n">name</span><span class="p">)</span> |
---|
350 | <span class="n">description</span> <span class="o">+=</span> <span class="s">" is automatically calculated "</span> |
---|
351 | <span class="n">description</span> <span class="o">+=</span> <span class="s">"from size parameters (radius...).</span><span class="se">\n</span><span class="s">"</span> |
---|
352 | <span class="n">description</span> <span class="o">+=</span> <span class="s">" 2) For non-spherical shape, "</span> |
---|
353 | <span class="n">description</span> <span class="o">+=</span> <span class="s">"this approximation is valid </span><span class="se">\n</span><span class="s">"</span> |
---|
354 | <span class="n">description</span> <span class="o">+=</span> <span class="s">" only for limited systems. "</span> |
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355 | <span class="n">description</span> <span class="o">+=</span> <span class="s">"Thus, use it at your own risk.</span><span class="se">\n</span><span class="s">"</span> |
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356 | <span class="n">description</span> <span class="o">+=</span> <span class="s">"See </span><span class="si">%s</span><span class="s"> description and </span><span class="si">%s</span><span class="s"> description </span><span class="se">\n</span><span class="s">"</span><span class="o">%</span> \ |
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357 | <span class="p">(</span> <span class="n">p_model</span><span class="o">.</span><span class="n">name</span><span class="p">,</span> <span class="n">s_model</span><span class="o">.</span><span class="n">name</span> <span class="p">)</span> |
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358 | <span class="n">description</span> <span class="o">+=</span> <span class="s">" for details of individual models."</span> |
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359 | <span class="bp">self</span><span class="o">.</span><span class="n">description</span> <span class="o">+=</span> <span class="n">description</span> |
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360 | |
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361 | </pre></div></div></div> |
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362 | |
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363 | </div> |
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395 | <li><a href="../../index.html" >Module code</a> »</li> |
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