1 | import sys |
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2 | import json |
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3 | import os |
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4 | from collections import defaultdict |
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5 | |
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6 | from PyQt4 import QtGui |
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7 | from PyQt4 import QtCore |
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8 | |
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9 | from UI.FittingWidgetUI import Ui_FittingWidgetUI |
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10 | |
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11 | from sasmodels import generate |
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12 | from sasmodels import modelinfo |
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13 | from sas.sasgui.guiframe.CategoryInstaller import CategoryInstaller |
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14 | |
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15 | TAB_MAGNETISM = 4 |
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16 | TAB_POLY = 3 |
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17 | |
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18 | class FittingWidget(QtGui.QWidget, Ui_FittingWidgetUI): |
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19 | """ |
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20 | Main widget for selecting form and structure factor models |
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21 | """ |
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22 | def __init__(self, manager=None, parent=None, data=None): |
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23 | """ |
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24 | |
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25 | :param manager: |
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26 | :param parent: |
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27 | :return: |
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28 | """ |
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29 | super(FittingWidget, self).__init__() |
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30 | |
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31 | self.model_is_loaded = False |
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32 | self._data = data |
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33 | self.is2D = False |
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34 | self.modelHasShells = False |
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35 | self.data_assigned = False |
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36 | |
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37 | self.setupUi(self) |
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38 | |
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39 | self.setWindowTitle("Fitting") |
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40 | |
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41 | # set the main models |
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42 | self._model_model = QtGui.QStandardItemModel() |
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43 | self._poly_model = QtGui.QStandardItemModel() |
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44 | self._magnet_model = QtGui.QStandardItemModel() |
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45 | |
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46 | # Param model displayed in param list |
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47 | self.lstParams.setModel(self._model_model) |
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48 | self._readCategoryInfo() |
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49 | self.model_parameters = None |
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50 | |
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51 | # Poly model displayed in poly list |
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52 | self.lstPoly.setModel(self._poly_model) |
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53 | self.setPolyModel() |
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54 | self.setTableProperties(self.lstPoly) |
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55 | |
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56 | # Magnetism model displayed in magnetism list |
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57 | self.lstMagnetic.setModel(self._magnet_model) |
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58 | self.setMagneticModel() |
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59 | self.setTableProperties(self.lstMagnetic) |
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60 | |
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61 | # Defaults for the strcutre factors |
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62 | self.setDefaultStructureCombo() |
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63 | |
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64 | # make structure factor and model CBs disabled |
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65 | self.disableModelCombo() |
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66 | self.disableStructureCombo() |
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67 | |
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68 | # Generate the category list for display |
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69 | category_list = sorted(self.master_category_dict.keys()) |
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70 | self.cbCategory.addItem("Choose category...") |
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71 | self.cbCategory.addItems(category_list) |
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72 | self.cbCategory.addItem("Structure Factor") |
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73 | self.cbCategory.setCurrentIndex(0) |
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74 | |
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75 | # Connect GUI element signals |
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76 | self.cbStructureFactor.currentIndexChanged.connect(self.selectStructureFactor) |
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77 | self.cbCategory.currentIndexChanged.connect(self.selectCategory) |
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78 | self.cbModel.currentIndexChanged.connect(self.selectModel) |
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79 | self.chk2DView.toggled.connect(self.toggle2D) |
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80 | self.chkPolydispersity.toggled.connect(self.togglePoly) |
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81 | self.chkMagnetism.toggled.connect(self.toggleMagnetism) |
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82 | |
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83 | # Set initial control enablement |
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84 | self.cmdFit.setEnabled(False) |
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85 | self.cmdPlot.setEnabled(True) |
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86 | self.chkPolydispersity.setEnabled(True) |
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87 | self.chkPolydispersity.setCheckState(False) |
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88 | self.chk2DView.setEnabled(True) |
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89 | self.chk2DView.setCheckState(False) |
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90 | self.chkMagnetism.setEnabled(False) |
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91 | self.chkMagnetism.setCheckState(False) |
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92 | |
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93 | self.tabFitting.setTabEnabled(TAB_POLY, False) |
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94 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, False) |
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95 | |
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96 | # set initial labels |
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97 | self.lblMinRangeDef.setText("---") |
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98 | self.lblMaxRangeDef.setText("---") |
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99 | self.lblChi2Value.setText("---") |
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100 | |
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101 | @property |
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102 | def data(self): |
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103 | return self._data |
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104 | |
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105 | @data.setter |
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106 | def data(self, value): |
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107 | """ data setter """ |
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108 | self._data = value |
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109 | self.data_assigned = True |
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110 | # TODO: update ranges, chi2 etc |
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111 | |
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112 | def acceptsData(self): |
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113 | """ Tells the caller this widget can accept new dataset """ |
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114 | return not self.data_assigned |
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115 | |
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116 | def disableModelCombo(self): |
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117 | self.cbModel.setEnabled(False) |
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118 | self.label_3.setEnabled(False) |
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119 | |
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120 | def enableModelCombo(self): |
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121 | self.cbModel.setEnabled(True) |
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122 | self.label_3.setEnabled(True) |
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123 | |
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124 | def disableStructureCombo(self): |
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125 | self.cbStructureFactor.setEnabled(False) |
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126 | self.label_4.setEnabled(False) |
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127 | |
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128 | def enableStructureCombo(self): |
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129 | self.cbStructureFactor.setEnabled(True) |
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130 | self.label_4.setEnabled(True) |
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131 | |
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132 | def setDefaultStructureCombo(self): |
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133 | # Fill in the structure factors combo box with defaults |
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134 | structure_factor_list = self.master_category_dict.pop('Structure Factor') |
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135 | structure_factors = [] |
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136 | self.cbStructureFactor.clear() |
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137 | for (structure_factor, _) in structure_factor_list: |
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138 | structure_factors.append(structure_factor) |
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139 | self.cbStructureFactor.addItems(sorted(structure_factors)) |
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140 | |
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141 | def selectCategory(self): |
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142 | """ |
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143 | Select Category from list |
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144 | :return: |
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145 | """ |
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146 | category = self.cbCategory.currentText() |
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147 | if category == "Structure Factor": |
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148 | self.disableModelCombo() |
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149 | self.enableStructureCombo() |
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150 | return |
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151 | |
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152 | self.cbModel.blockSignals(True) |
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153 | self.cbModel.clear() |
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154 | self.cbModel.blockSignals(False) |
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155 | self.enableModelCombo() |
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156 | self.disableStructureCombo() |
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157 | |
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158 | model_list = self.master_category_dict[str(category)] |
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159 | models = [] |
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160 | for (model, _) in model_list: |
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161 | models.append(model) |
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162 | self.cbModel.addItems(sorted(models)) |
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163 | |
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164 | def selectModel(self): |
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165 | """ |
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166 | Select Model from list |
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167 | :return: |
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168 | """ |
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169 | model = self.cbModel.currentText() |
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170 | self.setModelModel(model) |
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171 | |
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172 | def selectStructureFactor(self): |
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173 | """ |
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174 | Select Structure Factor from list |
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175 | :param: |
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176 | :return: |
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177 | """ |
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178 | model = self.cbStructureFactor.currentText() |
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179 | self.setModelModel(model) |
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180 | |
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181 | def _readCategoryInfo(self): |
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182 | """ |
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183 | Reads the categories in from file |
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184 | """ |
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185 | self.master_category_dict = defaultdict(list) |
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186 | self.by_model_dict = defaultdict(list) |
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187 | self.model_enabled_dict = defaultdict(bool) |
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188 | |
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189 | try: |
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190 | categorization_file = CategoryInstaller.get_user_file() |
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191 | if not os.path.isfile(categorization_file): |
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192 | categorization_file = CategoryInstaller.get_default_file() |
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193 | cat_file = open(categorization_file, 'rb') |
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194 | self.master_category_dict = json.load(cat_file) |
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195 | self._regenerate_model_dict() |
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196 | cat_file.close() |
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197 | except IOError: |
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198 | raise |
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199 | print 'Problem reading in category file.' |
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200 | print 'We even looked for it, made sure it was there.' |
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201 | print 'An existential crisis if there ever was one.' |
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202 | |
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203 | def _regenerate_model_dict(self): |
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204 | """ |
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205 | regenerates self.by_model_dict which has each model name as the |
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206 | key and the list of categories belonging to that model |
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207 | along with the enabled mapping |
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208 | """ |
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209 | self.by_model_dict = defaultdict(list) |
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210 | for category in self.master_category_dict: |
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211 | for (model, enabled) in self.master_category_dict[category]: |
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212 | self.by_model_dict[model].append(category) |
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213 | self.model_enabled_dict[model] = enabled |
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214 | |
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215 | def getIterParams(self, model): |
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216 | """ |
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217 | Returns a list of all multi-shell parameters in 'model' |
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218 | """ |
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219 | iter_params = list(filter(lambda par: "[" in par.name, model.iq_parameters)) |
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220 | |
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221 | return iter_params |
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222 | |
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223 | def getMultiplicity(self, model): |
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224 | """ |
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225 | Finds out if 'model' has multishell parameters. |
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226 | If so, returns the name of the counter parameter and the number of shells |
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227 | """ |
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228 | iter_param = "" |
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229 | iter_length = 0 |
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230 | |
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231 | iter_params = self.getIterParams(model) |
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232 | # pull out the iterator parameter name and length |
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233 | if iter_params: |
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234 | iter_length = iter_params[0].length |
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235 | iter_param = iter_params[0].length_control |
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236 | return (iter_param, iter_length) |
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237 | |
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238 | def setModelModel(self, model_name): |
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239 | """ |
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240 | Setting model parameters into table based on selected |
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241 | :param model_name: |
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242 | :return: |
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243 | """ |
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244 | # Crete/overwrite model items |
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245 | self._model_model.clear() |
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246 | model_name = str(model_name) |
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247 | kernel_module = generate.load_kernel_module(model_name) |
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248 | self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', [])) |
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249 | |
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250 | #TODO: scaale and background are implicit in sasmodels and needs to be added |
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251 | item1 = QtGui.QStandardItem('scale') |
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252 | item1.setCheckable(True) |
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253 | item2 = QtGui.QStandardItem('1.0') |
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254 | item3 = QtGui.QStandardItem('0.0') |
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255 | item4 = QtGui.QStandardItem('inf') |
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256 | item5 = QtGui.QStandardItem('') |
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257 | self._model_model.appendRow([item1, item2, item3, item4, item5]) |
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258 | |
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259 | item1 = QtGui.QStandardItem('background') |
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260 | item1.setCheckable(True) |
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261 | item2 = QtGui.QStandardItem('0.001') |
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262 | item3 = QtGui.QStandardItem('-inf') |
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263 | item4 = QtGui.QStandardItem('inf') |
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264 | item5 = QtGui.QStandardItem('1/cm') |
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265 | self._model_model.appendRow([item1, item2, item3, item4, item5]) |
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266 | |
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267 | multishell_parameters = self.getIterParams(self.model_parameters) |
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268 | multishell_param_name, _ = self.getMultiplicity(self.model_parameters) |
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269 | |
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270 | #TODO: iq_parameters are used here. If orientation paramateres or magnetic are needed |
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271 | # kernel_paramters should be used instead |
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272 | #For orientation and magentic parameters param.type needs to be checked |
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273 | for param in self.model_parameters.iq_parameters: |
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274 | # don't include shell parameters |
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275 | if param.name == multishell_param_name: |
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276 | continue |
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277 | # Modify parameter name from <param>[n] to <param>1 |
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278 | item_name = param.name |
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279 | if param in multishell_parameters: |
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280 | item_name = self.replaceShellName(param.name, 1) |
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281 | item1 = QtGui.QStandardItem(item_name) |
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282 | item1.setCheckable(True) |
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283 | item2 = QtGui.QStandardItem(str(param.default)) |
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284 | item3 = QtGui.QStandardItem(str(param.limits[0])) |
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285 | item4 = QtGui.QStandardItem(str(param.limits[1])) |
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286 | item5 = QtGui.QStandardItem(param.units) |
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287 | self._model_model.appendRow([item1, item2, item3, item4, item5]) |
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288 | |
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289 | self._model_model.setHeaderData(0, QtCore.Qt.Horizontal, QtCore.QVariant("Parameter")) |
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290 | self._model_model.setHeaderData(1, QtCore.Qt.Horizontal, QtCore.QVariant("Value")) |
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291 | self._model_model.setHeaderData(2, QtCore.Qt.Horizontal, QtCore.QVariant("Min")) |
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292 | self._model_model.setHeaderData(3, QtCore.Qt.Horizontal, QtCore.QVariant("Max")) |
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293 | self._model_model.setHeaderData(4, QtCore.Qt.Horizontal, QtCore.QVariant("[Units]")) |
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294 | |
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295 | self.addExtraShells() |
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296 | |
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297 | self.setPolyModel() |
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298 | self.setMagneticModel() |
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299 | self.model_is_loaded = True |
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300 | |
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301 | def replaceShellName(self, param_name, value): |
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302 | """ |
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303 | Updates parameter name from <param_name>[n_shell] to <param_name>value |
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304 | """ |
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305 | assert('[' in param_name) |
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306 | return param_name[:param_name.index('[')]+str(value) |
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307 | |
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308 | def setTableProperties(self, table): |
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309 | """ |
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310 | Setting table properties |
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311 | :param table: |
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312 | :return: |
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313 | """ |
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314 | # Table properties |
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315 | table.verticalHeader().setVisible(False) |
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316 | table.setAlternatingRowColors(True) |
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317 | table.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
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318 | table.setSelectionBehavior(QtGui.QAbstractItemView.SelectRows) |
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319 | table.resizeColumnsToContents() |
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320 | |
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321 | # Header |
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322 | header = table.horizontalHeader() |
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323 | header.setResizeMode(QtGui.QHeaderView.ResizeToContents) |
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324 | |
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325 | header.ResizeMode(QtGui.QHeaderView.Interactive) |
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326 | header.setResizeMode(0, QtGui.QHeaderView.ResizeToContents) |
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327 | header.setResizeMode(6, QtGui.QHeaderView.ResizeToContents) |
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328 | |
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329 | def setPolyModel(self): |
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330 | """ |
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331 | Set polydispersity values |
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332 | """ |
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333 | if self.model_parameters: |
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334 | for row, param in enumerate(self.model_parameters.form_volume_parameters): |
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335 | item1 = QtGui.QStandardItem("Distribution of "+param.name) |
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336 | item1.setCheckable(True) |
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337 | item2 = QtGui.QStandardItem("0") |
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338 | item3 = QtGui.QStandardItem("") |
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339 | item4 = QtGui.QStandardItem("") |
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340 | item5 = QtGui.QStandardItem("35") |
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341 | item6 = QtGui.QStandardItem("3") |
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342 | item7 = QtGui.QStandardItem("") |
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343 | |
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344 | self._poly_model.appendRow([item1, item2, item3, item4, item5, item6, item7]) |
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345 | |
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346 | #TODO: Need to find cleaner way to input functions |
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347 | func = QtGui.QComboBox() |
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348 | func.addItems(['rectangle','array','lognormal','gaussian','schulz',]) |
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349 | func_index = self.lstPoly.model().index(row,6) |
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350 | self.lstPoly.setIndexWidget(func_index,func) |
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351 | |
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352 | self._poly_model.setHeaderData(0, QtCore.Qt.Horizontal, QtCore.QVariant("Parameter")) |
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353 | self._poly_model.setHeaderData(1, QtCore.Qt.Horizontal, QtCore.QVariant("PD[ratio]")) |
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354 | self._poly_model.setHeaderData(2, QtCore.Qt.Horizontal, QtCore.QVariant("Min")) |
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355 | self._poly_model.setHeaderData(3, QtCore.Qt.Horizontal, QtCore.QVariant("Max")) |
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356 | self._poly_model.setHeaderData(4, QtCore.Qt.Horizontal, QtCore.QVariant("Npts")) |
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357 | self._poly_model.setHeaderData(5, QtCore.Qt.Horizontal, QtCore.QVariant("Nsigs")) |
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358 | self._poly_model.setHeaderData(6, QtCore.Qt.Horizontal, QtCore.QVariant("Function")) |
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359 | |
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360 | def setMagneticModel(self): |
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361 | """ |
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362 | Set magnetism values on model |
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363 | """ |
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364 | if self.model_parameters: |
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365 | for row, param in enumerate(self.model_parameters.form_volume_parameters): |
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366 | item1 = QtGui.QStandardItem("Distribution of "+param.name) |
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367 | item1.setCheckable(True) |
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368 | item2 = QtGui.QStandardItem("0") |
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369 | item3 = QtGui.QStandardItem("") |
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370 | item4 = QtGui.QStandardItem("") |
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371 | item5 = QtGui.QStandardItem("35") |
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372 | item6 = QtGui.QStandardItem("3") |
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373 | item7 = QtGui.QStandardItem("") |
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374 | |
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375 | self._magnet_model.appendRow([item1, item2, item3, item4, item5, item6, item7]) |
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376 | |
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377 | #TODO: Need to find cleaner way to input functions |
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378 | func = QtGui.QComboBox() |
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379 | func.addItems(['rectangle','array','lognormal','gaussian','schulz',]) |
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380 | func_index = self.lstMagnetic.model().index(row,6) |
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381 | self.lstMagnetic.setIndexWidget(func_index,func) |
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382 | |
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383 | self._magnet_model.setHeaderData(0, QtCore.Qt.Horizontal, QtCore.QVariant("Parameter")) |
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384 | self._magnet_model.setHeaderData(1, QtCore.Qt.Horizontal, QtCore.QVariant("PD[ratio]")) |
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385 | self._magnet_model.setHeaderData(2, QtCore.Qt.Horizontal, QtCore.QVariant("Min")) |
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386 | self._magnet_model.setHeaderData(3, QtCore.Qt.Horizontal, QtCore.QVariant("Max")) |
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387 | self._magnet_model.setHeaderData(4, QtCore.Qt.Horizontal, QtCore.QVariant("Npts")) |
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388 | self._magnet_model.setHeaderData(5, QtCore.Qt.Horizontal, QtCore.QVariant("Nsigs")) |
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389 | self._magnet_model.setHeaderData(6, QtCore.Qt.Horizontal, QtCore.QVariant("Function")) |
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390 | |
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391 | def addExtraShells(self): |
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392 | """ |
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393 | Add a combobox for multiple shell display |
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394 | """ |
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395 | param_name, param_length = self.getMultiplicity(self.model_parameters) |
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396 | |
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397 | if param_length == 0: |
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398 | return |
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399 | |
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400 | # cell 1: variable name |
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401 | item1 = QtGui.QStandardItem(param_name) |
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402 | |
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403 | func = QtGui.QComboBox() |
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404 | func.addItems([str(i+1) for i in xrange(param_length)]) |
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405 | |
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406 | # cell 2: combobox |
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407 | item2 = QtGui.QStandardItem() |
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408 | self._model_model.appendRow([item1, item2]) |
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409 | |
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410 | # Beautify the row: span columns 2-4 |
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411 | shell_row = self._model_model.rowCount() |
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412 | shell_index = self._model_model.index(shell_row-1, 1) |
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413 | self.lstParams.setIndexWidget(shell_index, func) |
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414 | self.lstParams.setSpan(shell_row-1,2,2,4) |
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415 | |
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416 | def togglePoly(self, isChecked): |
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417 | """ |
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418 | Enable/disable the polydispersity tab |
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419 | """ |
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420 | self.tabFitting.setTabEnabled(TAB_POLY, isChecked) |
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421 | |
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422 | def toggleMagnetism(self, isChecked): |
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423 | """ |
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424 | Enable/disable the magnetism tab |
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425 | """ |
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426 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked) |
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427 | |
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428 | def toggle2D(self, isChecked): |
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429 | """ |
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430 | Enable/disable the controls dependent on 1D/2D data instance |
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431 | """ |
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432 | self.chkMagnetism.setEnabled(isChecked) |
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433 | self.is2D = isChecked |
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434 | |
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