1 | from PyQt4 import QtGui |
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2 | from PyQt4 import QtCore |
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3 | |
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4 | import numpy |
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5 | from copy import deepcopy |
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6 | |
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7 | from sas.sasgui.guiframe.dataFitting import Data1D |
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8 | from sas.sasgui.guiframe.dataFitting import Data2D |
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9 | |
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10 | def replaceShellName(param_name, value): |
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11 | """ |
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12 | Updates parameter name from <param_name>[n_shell] to <param_name>value |
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13 | """ |
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14 | assert '[' in param_name |
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15 | return param_name[:param_name.index('[')]+str(value) |
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16 | |
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17 | def getIterParams(model): |
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18 | """ |
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19 | Returns a list of all multi-shell parameters in 'model' |
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20 | """ |
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21 | return list(filter(lambda par: "[" in par.name, model.iq_parameters)) |
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22 | |
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23 | def getMultiplicity(model): |
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24 | """ |
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25 | Finds out if 'model' has multishell parameters. |
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26 | If so, returns the name of the counter parameter and the number of shells |
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27 | """ |
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28 | iter_params = getIterParams(model) |
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29 | param_name = "" |
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30 | param_length = 0 |
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31 | if iter_params: |
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32 | param_length = iter_params[0].length |
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33 | param_name = iter_params[0].length_control |
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34 | if param_name is None and '[' in iter_params[0].name: |
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35 | param_name = iter_params[0].name[:iter_params[0].name.index('[')] |
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36 | return (param_name, param_length) |
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37 | |
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38 | def addParametersToModel(parameters, model): |
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39 | """ |
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40 | Update local ModelModel with sasmodel parameters |
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41 | """ |
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42 | multishell_parameters = getIterParams(parameters) |
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43 | multishell_param_name, _ = getMultiplicity(parameters) |
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44 | |
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45 | for param in parameters.iq_parameters: |
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46 | # don't include shell parameters |
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47 | if param.name == multishell_param_name: |
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48 | continue |
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49 | # Modify parameter name from <param>[n] to <param>1 |
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50 | item_name = param.name |
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51 | if param in multishell_parameters: |
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52 | continue |
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53 | # item_name = replaceShellName(param.name, 1) |
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54 | |
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55 | item1 = QtGui.QStandardItem(item_name) |
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56 | item1.setCheckable(True) |
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57 | # check for polydisp params |
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58 | if param.polydisperse: |
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59 | poly_item = QtGui.QStandardItem("Polydispersity") |
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60 | item1_1 = QtGui.QStandardItem("Distribution") |
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61 | # Find param in volume_params |
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62 | for p in parameters.form_volume_parameters: |
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63 | if p.name != param.name: |
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64 | continue |
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65 | item1_2 = QtGui.QStandardItem(str(p.default)) |
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66 | item1_3 = QtGui.QStandardItem(str(p.limits[0])) |
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67 | item1_4 = QtGui.QStandardItem(str(p.limits[1])) |
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68 | item1_5 = QtGui.QStandardItem(p.units) |
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69 | poly_item.appendRow([item1_1, item1_2, item1_3, item1_4, item1_5]) |
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70 | break |
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71 | # Add the polydisp item as a child |
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72 | item1.appendRow([poly_item]) |
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73 | # Param values |
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74 | item2 = QtGui.QStandardItem(str(param.default)) |
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75 | # TODO: the error column. |
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76 | # Either add a proxy model or a custom view delegate |
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77 | #item_err = QtGui.QStandardItem() |
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78 | item3 = QtGui.QStandardItem(str(param.limits[0])) |
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79 | item4 = QtGui.QStandardItem(str(param.limits[1])) |
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80 | item5 = QtGui.QStandardItem(param.units) |
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81 | model.appendRow([item1, item2, item3, item4, item5]) |
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82 | |
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83 | def addSimpleParametersToModel(parameters, model): |
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84 | """ |
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85 | Update local ModelModel with sasmodel parameters |
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86 | """ |
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87 | for param in parameters.iq_parameters: |
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88 | # Create the top level, checkable item |
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89 | item_name = param.name |
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90 | item1 = QtGui.QStandardItem(item_name) |
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91 | item1.setCheckable(True) |
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92 | # Param values |
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93 | item2 = QtGui.QStandardItem(str(param.default)) |
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94 | # TODO: the error column. |
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95 | # Either add a proxy model or a custom view delegate |
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96 | #item_err = QtGui.QStandardItem() |
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97 | item3 = QtGui.QStandardItem(str(param.limits[0])) |
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98 | item4 = QtGui.QStandardItem(str(param.limits[1])) |
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99 | item5 = QtGui.QStandardItem(param.units) |
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100 | model.appendRow([item1, item2, item3, item4, item5]) |
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101 | |
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102 | def addCheckedListToModel(model, param_list): |
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103 | """ |
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104 | Add a QItem to model. Makes the QItem checkable |
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105 | """ |
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106 | assert isinstance(model, QtGui.QStandardItemModel) |
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107 | item_list = [QtGui.QStandardItem(item) for item in param_list] |
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108 | item_list[0].setCheckable(True) |
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109 | model.appendRow(item_list) |
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110 | |
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111 | def addHeadersToModel(model): |
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112 | """ |
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113 | Adds predefined headers to the model |
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114 | """ |
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115 | model.setHeaderData(0, QtCore.Qt.Horizontal, QtCore.QVariant("Parameter")) |
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116 | model.setHeaderData(1, QtCore.Qt.Horizontal, QtCore.QVariant("Value")) |
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117 | model.setHeaderData(2, QtCore.Qt.Horizontal, QtCore.QVariant("Min")) |
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118 | model.setHeaderData(3, QtCore.Qt.Horizontal, QtCore.QVariant("Max")) |
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119 | model.setHeaderData(4, QtCore.Qt.Horizontal, QtCore.QVariant("[Units]")) |
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120 | |
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121 | def addPolyHeadersToModel(model): |
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122 | """ |
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123 | Adds predefined headers to the model |
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124 | """ |
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125 | model.setHeaderData(0, QtCore.Qt.Horizontal, QtCore.QVariant("Parameter")) |
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126 | model.setHeaderData(1, QtCore.Qt.Horizontal, QtCore.QVariant("PD[ratio]")) |
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127 | model.setHeaderData(2, QtCore.Qt.Horizontal, QtCore.QVariant("Min")) |
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128 | model.setHeaderData(3, QtCore.Qt.Horizontal, QtCore.QVariant("Max")) |
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129 | model.setHeaderData(4, QtCore.Qt.Horizontal, QtCore.QVariant("Npts")) |
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130 | model.setHeaderData(5, QtCore.Qt.Horizontal, QtCore.QVariant("Nsigs")) |
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131 | model.setHeaderData(6, QtCore.Qt.Horizontal, QtCore.QVariant("Function")) |
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132 | |
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133 | def addShellsToModel(parameters, model, index): |
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134 | """ |
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135 | Find out multishell parameters and update the model with the requested number of them |
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136 | """ |
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137 | multishell_parameters = getIterParams(parameters) |
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138 | |
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139 | for i in xrange(index): |
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140 | for par in multishell_parameters: |
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141 | # Create the name: <param>[<i>], e.g. "sld1" for parameter "sld[n]" |
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142 | param_name = replaceShellName(par.name, i+1) |
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143 | item1 = QtGui.QStandardItem(param_name) |
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144 | item1.setCheckable(True) |
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145 | # check for polydisp params |
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146 | if par.polydisperse: |
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147 | poly_item = QtGui.QStandardItem("Polydispersity") |
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148 | item1_1 = QtGui.QStandardItem("Distribution") |
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149 | # Find param in volume_params |
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150 | for p in parameters.form_volume_parameters: |
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151 | if p.name != par.name: |
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152 | continue |
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153 | item1_2 = QtGui.QStandardItem(str(p.default)) |
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154 | item1_3 = QtGui.QStandardItem(str(p.limits[0])) |
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155 | item1_4 = QtGui.QStandardItem(str(p.limits[1])) |
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156 | item1_5 = QtGui.QStandardItem(p.units) |
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157 | poly_item.appendRow([item1_1, item1_2, item1_3, item1_4, item1_5]) |
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158 | break |
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159 | item1.appendRow([poly_item]) |
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160 | |
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161 | item2 = QtGui.QStandardItem(str(par.default)) |
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162 | item3 = QtGui.QStandardItem(str(par.limits[0])) |
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163 | item4 = QtGui.QStandardItem(str(par.limits[1])) |
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164 | item5 = QtGui.QStandardItem(par.units) |
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165 | model.appendRow([item1, item2, item3, item4, item5]) |
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166 | |
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167 | def calculateChi2(reference_data, current_data): |
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168 | """ |
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169 | Calculate Chi2 value between two sets of data |
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170 | """ |
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171 | |
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172 | # WEIGHING INPUT |
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173 | #from sas.sasgui.perspectives.fitting.utils import get_weight |
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174 | #flag = self.get_weight_flag() |
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175 | #weight = get_weight(data=self.data, is2d=self._is_2D(), flag=flag) |
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176 | |
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177 | if reference_data == None: |
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178 | return chisqr |
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179 | |
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180 | # temporary default values for index and weight |
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181 | index = None |
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182 | weight = None |
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183 | |
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184 | # Get data: data I, theory I, and data dI in order |
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185 | if isinstance(reference_data, Data2D): |
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186 | if index == None: |
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187 | index = numpy.ones(len(current_data.data), dtype=bool) |
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188 | if weight != None: |
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189 | current_data.err_data = weight |
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190 | # get rid of zero error points |
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191 | index = index & (current_data.err_data != 0) |
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192 | index = index & (numpy.isfinite(current_data.data)) |
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193 | fn = current_data.data[index] |
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194 | gn = reference_data.data[index] |
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195 | en = current_data.err_data[index] |
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196 | else: |
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197 | # 1 d theory from model_thread is only in the range of index |
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198 | if index == None: |
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199 | index = numpy.ones(len(current_data.y), dtype=bool) |
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200 | if weight != None: |
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201 | current_data.dy = weight |
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202 | if current_data.dy == None or current_data.dy == []: |
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203 | dy = numpy.ones(len(current_data.y)) |
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204 | else: |
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205 | ## Set consistently w/AbstractFitengine: |
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206 | # But this should be corrected later. |
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207 | dy = deepcopy(current_data.dy) |
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208 | dy[dy == 0] = 1 |
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209 | fn = current_data.y[index] |
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210 | gn = reference_data.y |
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211 | en = dy[index] |
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212 | # Calculate the residual |
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213 | try: |
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214 | res = (fn - gn) / en |
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215 | except ValueError: |
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216 | print "Chi2 calculations: Unmatched lengths %s, %s, %s" % (len(fn), len(gn), len(en)) |
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217 | return |
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218 | |
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219 | residuals = res[numpy.isfinite(res)] |
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220 | chisqr = numpy.average(residuals * residuals) |
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221 | |
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222 | return chisqr |
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223 | |
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224 | def binary_encode(i, digits): |
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225 | return [i >> d & 1 for d in xrange(digits)] |
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226 | |
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