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50 | <h1>Source code for sas.calculator.slit_length_calculator</h1><div class="highlight"><pre> |
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51 | <span class="sd">"""</span> |
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52 | <span class="sd">This module is a small tool to allow user to quickly</span> |
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53 | <span class="sd">determine the slit length value of data.</span> |
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54 | <span class="sd">"""</span> |
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55 | |
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56 | |
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57 | <div class="viewcode-block" id="SlitlengthCalculator"><a class="viewcode-back" href="../../../dev/api/sas.calculator.html#sas.calculator.slit_length_calculator.SlitlengthCalculator">[docs]</a><span class="k">class</span> <span class="nc">SlitlengthCalculator</span><span class="p">(</span><span class="nb">object</span><span class="p">):</span> |
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58 | <span class="sd">"""</span> |
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59 | <span class="sd"> compute slit length from SAXSess beam profile (1st col. Q , 2nd col. I ,</span> |
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60 | <span class="sd"> and 3rd col. dI.: don't need the 3rd)</span> |
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61 | <span class="sd"> """</span> |
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62 | <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
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63 | |
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64 | <span class="c"># x data</span> |
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65 | <span class="bp">self</span><span class="o">.</span><span class="n">x</span> <span class="o">=</span> <span class="bp">None</span> |
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66 | <span class="c"># y data</span> |
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67 | <span class="bp">self</span><span class="o">.</span><span class="n">y</span> <span class="o">=</span> <span class="bp">None</span> |
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68 | <span class="c">#default slit length</span> |
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69 | <span class="bp">self</span><span class="o">.</span><span class="n">slit_length</span> <span class="o">=</span> <span class="mf">0.0</span> |
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70 | |
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71 | <span class="c"># The unit is unknown from SAXSess profile:</span> |
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72 | <span class="c"># It seems 1/nm but it could be not fixed,</span> |
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73 | <span class="c"># so users should be notified to determine the unit by themselves.</span> |
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74 | <span class="bp">self</span><span class="o">.</span><span class="n">slit_length_unit</span> <span class="o">=</span> <span class="s">"unknown"</span> |
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75 | |
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76 | <div class="viewcode-block" id="SlitlengthCalculator.set_data"><a class="viewcode-back" href="../../../dev/api/sas.calculator.html#sas.calculator.slit_length_calculator.SlitlengthCalculator.set_data">[docs]</a> <span class="k">def</span> <span class="nf">set_data</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="bp">None</span><span class="p">,</span> <span class="n">y</span><span class="o">=</span><span class="bp">None</span><span class="p">):</span> |
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77 | <span class="sd">"""</span> |
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78 | <span class="sd"> Receive two vector x, y and prepare the slit calculator for</span> |
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79 | <span class="sd"> computation.</span> |
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80 | <span class="sd"> </span> |
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81 | <span class="sd"> :param x: array</span> |
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82 | <span class="sd"> :param y: array</span> |
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83 | <span class="sd"> """</span> |
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84 | <span class="bp">self</span><span class="o">.</span><span class="n">x</span> <span class="o">=</span> <span class="n">x</span> |
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85 | <span class="bp">self</span><span class="o">.</span><span class="n">y</span> <span class="o">=</span> <span class="n">y</span> |
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86 | </div> |
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87 | <div class="viewcode-block" id="SlitlengthCalculator.calculate_slit_length"><a class="viewcode-back" href="../../../dev/api/sas.calculator.html#sas.calculator.slit_length_calculator.SlitlengthCalculator.calculate_slit_length">[docs]</a> <span class="k">def</span> <span class="nf">calculate_slit_length</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
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88 | <span class="sd">"""</span> |
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89 | <span class="sd"> Calculate slit length.</span> |
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90 | <span class="sd"> </span> |
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91 | <span class="sd"> :return: the slit length calculated value.</span> |
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92 | <span class="sd"> """</span> |
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93 | <span class="c"># None data do nothing</span> |
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94 | <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">y</span> <span class="o">==</span> <span class="bp">None</span> <span class="ow">or</span> <span class="bp">self</span><span class="o">.</span><span class="n">x</span> <span class="o">==</span> <span class="bp">None</span><span class="p">:</span> |
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95 | <span class="k">return</span> |
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96 | <span class="c"># set local variable</span> |
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97 | <span class="n">y</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">y</span> |
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98 | <span class="n">x</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">x</span> |
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99 | |
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100 | <span class="c"># find max y</span> |
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101 | <span class="n">max_y</span> <span class="o">=</span> <span class="n">y</span><span class="o">.</span><span class="n">max</span><span class="p">()</span> |
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102 | |
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103 | <span class="c"># initial values</span> |
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104 | <span class="n">y_sum</span> <span class="o">=</span> <span class="mf">0.0</span> |
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105 | <span class="n">y_max</span> <span class="o">=</span> <span class="mf">0.0</span> |
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106 | <span class="n">ind</span> <span class="o">=</span> <span class="mf">0.0</span> |
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107 | |
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108 | <span class="c"># sum 10 or more y values until getting max_y,</span> |
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109 | <span class="k">while</span> <span class="p">(</span><span class="bp">True</span><span class="p">):</span> |
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110 | <span class="k">if</span> <span class="n">ind</span> <span class="o">>=</span> <span class="mi">10</span> <span class="ow">and</span> <span class="n">y_max</span> <span class="o">==</span> <span class="n">max_y</span><span class="p">:</span> |
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111 | <span class="k">break</span> |
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112 | <span class="n">y_sum</span> <span class="o">=</span> <span class="n">y_sum</span> <span class="o">+</span> <span class="n">y</span><span class="p">[</span><span class="n">ind</span><span class="p">]</span> |
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113 | <span class="k">if</span> <span class="n">y</span><span class="p">[</span><span class="n">ind</span><span class="p">]</span> <span class="o">></span> <span class="n">y_max</span><span class="p">:</span> |
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114 | <span class="n">y_max</span> <span class="o">=</span> <span class="n">y</span><span class="p">[</span><span class="n">ind</span><span class="p">]</span> |
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115 | <span class="n">ind</span> <span class="o">+=</span> <span class="mi">1</span> |
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116 | |
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117 | <span class="c"># find the average value/2 of the top values</span> |
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118 | <span class="n">y_half</span> <span class="o">=</span> <span class="n">y_sum</span><span class="o">/</span><span class="p">(</span><span class="mf">2.0</span><span class="o">*</span><span class="n">ind</span><span class="p">)</span> |
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119 | |
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120 | <span class="c"># defaults</span> |
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121 | <span class="n">y_half_d</span> <span class="o">=</span> <span class="mf">0.0</span> |
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122 | <span class="n">ind</span> <span class="o">=</span> <span class="mf">0.0</span> |
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123 | <span class="c"># find indices where it crosses y = y_half.</span> |
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124 | <span class="k">while</span> <span class="p">(</span><span class="bp">True</span><span class="p">):</span> |
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125 | <span class="c"># no need to check when ind == 0</span> |
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126 | <span class="n">ind</span> <span class="o">+=</span> <span class="mi">1</span> |
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127 | <span class="c"># y value and ind just after passed the spot of the half height</span> |
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128 | <span class="n">y_half_d</span> <span class="o">=</span> <span class="n">y</span><span class="p">[</span><span class="n">ind</span><span class="p">]</span> |
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129 | <span class="k">if</span> <span class="n">y</span><span class="p">[</span><span class="n">ind</span><span class="p">]</span> <span class="o"><</span> <span class="n">y_half</span><span class="p">:</span> |
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130 | <span class="k">break</span> |
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131 | |
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132 | <span class="c"># y value and ind just before passed the spot of the half height</span> |
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133 | <span class="n">y_half_u</span> <span class="o">=</span> <span class="n">y</span><span class="p">[</span><span class="n">ind</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> |
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134 | |
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135 | <span class="c"># get corresponding x values</span> |
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136 | <span class="n">x_half_d</span> <span class="o">=</span> <span class="n">x</span><span class="p">[</span><span class="n">ind</span><span class="p">]</span> |
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137 | <span class="n">x_half_u</span> <span class="o">=</span> <span class="n">x</span><span class="p">[</span><span class="n">ind</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> |
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138 | |
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139 | <span class="c"># calculate x at y = y_half using linear interpolation</span> |
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140 | <span class="k">if</span> <span class="n">y_half_u</span> <span class="o">==</span> <span class="n">y_half_d</span><span class="p">:</span> |
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141 | <span class="n">x_half</span> <span class="o">=</span> <span class="p">(</span><span class="n">x_half_d</span> <span class="o">+</span> <span class="n">x_half_u</span><span class="p">)</span><span class="o">/</span><span class="mf">2.0</span> |
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142 | <span class="k">else</span><span class="p">:</span> |
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143 | <span class="n">x_half</span> <span class="o">=</span> <span class="p">(</span><span class="n">x_half_u</span> <span class="o">*</span> <span class="p">(</span><span class="n">y_half</span> <span class="o">-</span> <span class="n">y_half_d</span><span class="p">)</span> \ |
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144 | <span class="o">+</span> <span class="n">x_half_d</span> <span class="o">*</span> <span class="p">(</span><span class="n">y_half_u</span> <span class="o">-</span> <span class="n">y_half</span><span class="p">))</span> \ |
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145 | <span class="o">/</span> <span class="p">(</span><span class="n">y_half_u</span> <span class="o">-</span> <span class="n">y_half_d</span><span class="p">)</span> |
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146 | |
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147 | <span class="c"># Our slit length is half width, so just give half beam value</span> |
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148 | <span class="n">slit_length</span> <span class="o">=</span> <span class="n">x_half</span> |
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149 | |
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150 | <span class="c"># set slit_length</span> |
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151 | <span class="bp">self</span><span class="o">.</span><span class="n">slit_length</span> <span class="o">=</span> <span class="n">slit_length</span> |
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152 | <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">slit_length</span> |
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153 | </div> |
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154 | <div class="viewcode-block" id="SlitlengthCalculator.get_slit_length_unit"><a class="viewcode-back" href="../../../dev/api/sas.calculator.html#sas.calculator.slit_length_calculator.SlitlengthCalculator.get_slit_length_unit">[docs]</a> <span class="k">def</span> <span class="nf">get_slit_length_unit</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
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155 | <span class="sd">"""</span> |
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156 | <span class="sd"> :return: the slit length unit.</span> |
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157 | <span class="sd"> """</span> |
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158 | <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">slit_length_unit</span></div></div> |
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