1 | import json |
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2 | import os |
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3 | from collections import defaultdict |
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4 | from itertools import izip |
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5 | |
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6 | import logging |
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7 | import traceback |
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8 | from twisted.internet import threads |
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9 | import numpy as np |
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10 | |
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11 | from PyQt4 import QtGui |
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12 | from PyQt4 import QtCore |
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13 | from PyQt4 import QtWebKit |
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14 | |
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15 | from sasmodels import generate |
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16 | from sasmodels import modelinfo |
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17 | from sasmodels.sasview_model import load_standard_models |
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18 | from sasmodels.weights import MODELS as POLYDISPERSITY_MODELS |
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19 | |
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20 | from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit |
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21 | |
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22 | import sas.qtgui.Utilities.GuiUtils as GuiUtils |
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23 | from sas.qtgui.Utilities.CategoryInstaller import CategoryInstaller |
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24 | from sas.qtgui.Plotting.PlotterData import Data1D |
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25 | from sas.qtgui.Plotting.PlotterData import Data2D |
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26 | |
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27 | from sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI import Ui_FittingWidgetUI |
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28 | from sas.qtgui.Perspectives.Fitting.FitThread import FitThread |
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29 | from sas.qtgui.Perspectives.Fitting.ConsoleUpdate import ConsoleUpdate |
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30 | |
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31 | from sas.qtgui.Perspectives.Fitting.ModelThread import Calc1D |
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32 | from sas.qtgui.Perspectives.Fitting.ModelThread import Calc2D |
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33 | from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic |
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34 | from sas.qtgui.Perspectives.Fitting import FittingUtilities |
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35 | from sas.qtgui.Perspectives.Fitting.SmearingWidget import SmearingWidget |
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36 | from sas.qtgui.Perspectives.Fitting.OptionsWidget import OptionsWidget |
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37 | from sas.qtgui.Perspectives.Fitting.FitPage import FitPage |
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38 | from sas.qtgui.Perspectives.Fitting.ViewDelegate import ModelViewDelegate |
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39 | from sas.qtgui.Perspectives.Fitting.ViewDelegate import PolyViewDelegate |
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40 | from sas.qtgui.Perspectives.Fitting.ViewDelegate import MagnetismViewDelegate |
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41 | |
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42 | |
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43 | TAB_MAGNETISM = 4 |
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44 | TAB_POLY = 3 |
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45 | CATEGORY_DEFAULT = "Choose category..." |
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46 | CATEGORY_STRUCTURE = "Structure Factor" |
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47 | STRUCTURE_DEFAULT = "None" |
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48 | |
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49 | DEFAULT_POLYDISP_FUNCTION = 'gaussian' |
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50 | |
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51 | USING_TWISTED = True |
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52 | |
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53 | class ToolTippedItemModel(QtGui.QStandardItemModel): |
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54 | |
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55 | def __init__(self, parent = None): |
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56 | QtGui.QStandardItemModel.__init__(self,parent) |
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57 | |
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58 | super(ToolTippedItemModel, self).__init__() |
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59 | self.parent = parent |
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60 | self.parameter_headers = None |
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61 | |
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62 | # optional method for Model class |
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63 | def headerData(self, section, orientation, role): |
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64 | |
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65 | if role == QtCore.Qt.ToolTipRole: |
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66 | if orientation == QtCore.Qt.Horizontal: |
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67 | return QtCore.QString("Horizontal Header Tooltip for %s" % str(self.parameter_headers[section])) |
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68 | |
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69 | if role == QtCore.Qt.DisplayRole: |
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70 | if orientation == QtCore.Qt.Horizontal: |
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71 | return QtCore.QString(self.parameter_headers[section]) |
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72 | |
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73 | |
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74 | class FittingWidget(QtGui.QWidget, Ui_FittingWidgetUI): |
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75 | """ |
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76 | Main widget for selecting form and structure factor models |
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77 | """ |
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78 | def __init__(self, parent=None, data=None, tab_id=1): |
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79 | |
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80 | super(FittingWidget, self).__init__() |
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81 | |
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82 | # Necessary globals |
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83 | self.parent = parent |
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84 | |
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85 | # Which tab is this widget displayed in? |
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86 | self.tab_id = tab_id |
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87 | |
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88 | # Main Data[12]D holder |
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89 | self.logic = FittingLogic() |
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90 | |
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91 | # Globals |
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92 | self.initializeGlobals() |
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93 | |
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94 | # Main GUI setup up |
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95 | self.setupUi(self) |
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96 | self.setWindowTitle("Fitting") |
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97 | |
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98 | # Set up tabs widgets |
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99 | self.initializeWidgets() |
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100 | |
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101 | # Set up models and views |
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102 | self.initializeModels() |
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103 | |
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104 | # Defaults for the structure factors |
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105 | self.setDefaultStructureCombo() |
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106 | |
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107 | # Make structure factor and model CBs disabled |
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108 | self.disableModelCombo() |
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109 | self.disableStructureCombo() |
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110 | |
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111 | # Generate the category list for display |
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112 | self.initializeCategoryCombo() |
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113 | |
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114 | # Connect signals to controls |
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115 | self.initializeSignals() |
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116 | |
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117 | # Initial control state |
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118 | self.initializeControls() |
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119 | |
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120 | # Display HTML content |
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121 | self.helpView = QtWebKit.QWebView() |
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122 | |
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123 | # New font to display angstrom symbol |
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124 | new_font = 'font-family: -apple-system, "Helvetica Neue", "Ubuntu";' |
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125 | self.label_17.setStyleSheet(new_font) |
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126 | self.label_19.setStyleSheet(new_font) |
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127 | |
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128 | self._index = None |
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129 | if data is not None: |
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130 | self.data = data |
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131 | |
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132 | def close(self): |
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133 | """ |
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134 | Remember to kill off things on exit |
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135 | """ |
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136 | self.helpView.close() |
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137 | del self.helpView |
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138 | |
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139 | @property |
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140 | def data(self): |
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141 | return self.logic.data |
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142 | |
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143 | @data.setter |
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144 | def data(self, value): |
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145 | """ data setter """ |
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146 | if isinstance(value, list): |
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147 | self.is_batch_fitting = True |
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148 | else: |
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149 | value = [value] |
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150 | |
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151 | assert isinstance(value[0], QtGui.QStandardItem) |
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152 | # _index contains the QIndex with data |
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153 | self._index = value[0] |
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154 | |
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155 | # Keep reference to all datasets for batch |
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156 | self.all_data = value |
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157 | |
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158 | # Update logics with data items |
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159 | self.logic.data = GuiUtils.dataFromItem(value[0]) |
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160 | |
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161 | # Overwrite data type descriptor |
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162 | self.is2D = True if isinstance(self.logic.data, Data2D) else False |
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163 | |
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164 | self.data_is_loaded = True |
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165 | |
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166 | # Enable/disable UI components |
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167 | self.setEnablementOnDataLoad() |
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168 | |
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169 | def initializeGlobals(self): |
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170 | """ |
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171 | Initialize global variables used in this class |
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172 | """ |
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173 | # SasModel is loaded |
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174 | self.model_is_loaded = False |
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175 | # Data[12]D passed and set |
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176 | self.data_is_loaded = False |
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177 | # Batch/single fitting |
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178 | self.is_batch_fitting = False |
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179 | # Current SasModel in view |
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180 | self.kernel_module = None |
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181 | # Current SasModel view dimension |
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182 | self.is2D = False |
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183 | # Current SasModel is multishell |
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184 | self.model_has_shells = False |
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185 | # Utility variable to enable unselectable option in category combobox |
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186 | self._previous_category_index = 0 |
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187 | # Utility variable for multishell display |
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188 | self._last_model_row = 0 |
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189 | # Dictionary of {model name: model class} for the current category |
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190 | self.models = {} |
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191 | # Parameters to fit |
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192 | self.parameters_to_fit = None |
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193 | # Fit options |
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194 | self.q_range_min = 0.005 |
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195 | self.q_range_max = 0.1 |
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196 | self.npts = 25 |
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197 | self.log_points = False |
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198 | self.weighting = 0 |
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199 | self.chi2 = None |
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200 | # Does the control support UNDO/REDO |
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201 | # temporarily off |
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202 | self.undo_supported = False |
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203 | self.page_stack = [] |
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204 | self.all_data = [] |
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205 | # Polydisp widget table default index for function combobox |
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206 | self.orig_poly_index = 3 |
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207 | |
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208 | # Data for chosen model |
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209 | self.model_data = None |
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210 | |
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211 | # Which shell is being currently displayed? |
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212 | self.current_shell_displayed = 0 |
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213 | # List of all shell-unique parameters |
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214 | self.shell_names = [] |
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215 | |
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216 | # Error column presence in parameter display |
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217 | self.has_error_column = False |
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218 | self.has_poly_error_column = False |
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219 | self.has_magnet_error_column = False |
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220 | |
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221 | # signal communicator |
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222 | self.communicate = self.parent.communicate |
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223 | |
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224 | def initializeWidgets(self): |
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225 | """ |
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226 | Initialize widgets for tabs |
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227 | """ |
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228 | # Options widget |
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229 | layout = QtGui.QGridLayout() |
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230 | self.options_widget = OptionsWidget(self, self.logic) |
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231 | layout.addWidget(self.options_widget) |
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232 | self.tabOptions.setLayout(layout) |
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233 | |
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234 | # Smearing widget |
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235 | layout = QtGui.QGridLayout() |
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236 | self.smearing_widget = SmearingWidget(self) |
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237 | layout.addWidget(self.smearing_widget) |
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238 | self.tabResolution.setLayout(layout) |
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239 | |
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240 | # Define bold font for use in various controls |
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241 | self.boldFont = QtGui.QFont() |
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242 | self.boldFont.setBold(True) |
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243 | |
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244 | # Set data label |
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245 | self.label.setFont(self.boldFont) |
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246 | self.label.setText("No data loaded") |
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247 | self.lblFilename.setText("") |
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248 | |
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249 | # Magnetic angles explained in one picture |
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250 | self.magneticAnglesWidget = QtGui.QWidget() |
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251 | labl = QtGui.QLabel(self.magneticAnglesWidget) |
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252 | pixmap = QtGui.QPixmap(GuiUtils.IMAGES_DIRECTORY_LOCATION + '/M_angles_pic.bmp') |
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253 | labl.setPixmap(pixmap) |
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254 | self.magneticAnglesWidget.setFixedSize(pixmap.width(), pixmap.height()) |
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255 | |
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256 | def initializeModels(self): |
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257 | """ |
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258 | Set up models and views |
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259 | """ |
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260 | # Set the main models |
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261 | # We can't use a single model here, due to restrictions on flattening |
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262 | # the model tree with subclassed QAbstractProxyModel... |
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263 | self._model_model = ToolTippedItemModel() |
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264 | self._poly_model = ToolTippedItemModel() |
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265 | self._magnet_model = ToolTippedItemModel() |
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266 | |
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267 | # Param model displayed in param list |
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268 | self.lstParams.setModel(self._model_model) |
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269 | self.readCategoryInfo() |
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270 | self.model_parameters = None |
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271 | |
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272 | # Delegates for custom editing and display |
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273 | self.lstParams.setItemDelegate(ModelViewDelegate(self)) |
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274 | |
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275 | self.lstParams.setAlternatingRowColors(True) |
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276 | stylesheet = """ |
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277 | |
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278 | QTreeView { |
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279 | paint-alternating-row-colors-for-empty-area:0; |
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280 | } |
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281 | |
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282 | QTreeView::item:hover { |
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283 | background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #e7effd, stop: 1 #cbdaf1); |
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284 | border: 1px solid #bfcde4; |
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285 | } |
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286 | |
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287 | QTreeView::item:selected { |
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288 | border: 1px solid #567dbc; |
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289 | } |
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290 | |
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291 | QTreeView::item:selected:active{ |
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292 | background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6ea1f1, stop: 1 #567dbc); |
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293 | } |
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294 | |
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295 | QTreeView::item:selected:!active { |
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296 | background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6b9be8, stop: 1 #577fbf); |
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297 | } |
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298 | """ |
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299 | self.lstParams.setStyleSheet(stylesheet) |
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300 | self.lstParams.setContextMenuPolicy(QtCore.Qt.CustomContextMenu) |
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301 | self.lstParams.customContextMenuRequested.connect(self.showModelDescription) |
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302 | self.lstParams.setAttribute(QtCore.Qt.WA_MacShowFocusRect, False) |
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303 | |
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304 | # Poly model displayed in poly list |
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305 | self.lstPoly.setModel(self._poly_model) |
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306 | self.setPolyModel() |
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307 | self.setTableProperties(self.lstPoly) |
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308 | # Delegates for custom editing and display |
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309 | self.lstPoly.setItemDelegate(PolyViewDelegate(self)) |
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310 | # Polydispersity function combo response |
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311 | self.lstPoly.itemDelegate().combo_updated.connect(self.onPolyComboIndexChange) |
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312 | self.lstPoly.itemDelegate().filename_updated.connect(self.onPolyFilenameChange) |
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313 | |
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314 | # Magnetism model displayed in magnetism list |
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315 | self.lstMagnetic.setModel(self._magnet_model) |
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316 | self.setMagneticModel() |
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317 | self.setTableProperties(self.lstMagnetic) |
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318 | # Delegates for custom editing and display |
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319 | self.lstMagnetic.setItemDelegate(MagnetismViewDelegate(self)) |
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320 | |
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321 | def initializeCategoryCombo(self): |
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322 | """ |
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323 | Model category combo setup |
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324 | """ |
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325 | category_list = sorted(self.master_category_dict.keys()) |
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326 | self.cbCategory.addItem(CATEGORY_DEFAULT) |
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327 | self.cbCategory.addItems(category_list) |
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328 | self.cbCategory.addItem(CATEGORY_STRUCTURE) |
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329 | self.cbCategory.setCurrentIndex(0) |
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330 | |
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331 | def setEnablementOnDataLoad(self): |
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332 | """ |
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333 | Enable/disable various UI elements based on data loaded |
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334 | """ |
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335 | # Tag along functionality |
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336 | self.label.setText("Data loaded from: ") |
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337 | self.lblFilename.setText(self.logic.data.filename) |
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338 | self.updateQRange() |
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339 | # Switch off Data2D control |
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340 | self.chk2DView.setEnabled(False) |
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341 | self.chk2DView.setVisible(False) |
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342 | self.chkMagnetism.setEnabled(self.is2D) |
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343 | # Combo box or label for file name" |
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344 | if self.is_batch_fitting: |
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345 | self.lblFilename.setVisible(False) |
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346 | for dataitem in self.all_data: |
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347 | filename = GuiUtils.dataFromItem(dataitem).filename |
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348 | self.cbFileNames.addItem(filename) |
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349 | self.cbFileNames.setVisible(True) |
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350 | # This panel is not designed to view individual fits, so disable plotting |
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351 | self.cmdPlot.setVisible(False) |
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352 | # Similarly on other tabs |
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353 | self.options_widget.setEnablementOnDataLoad() |
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354 | |
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355 | # Smearing tab |
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356 | self.smearing_widget.updateSmearing(self.data) |
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357 | |
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358 | def acceptsData(self): |
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359 | """ Tells the caller this widget can accept new dataset """ |
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360 | return not self.data_is_loaded |
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361 | |
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362 | def disableModelCombo(self): |
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363 | """ Disable the combobox """ |
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364 | self.cbModel.setEnabled(False) |
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365 | self.lblModel.setEnabled(False) |
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366 | |
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367 | def enableModelCombo(self): |
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368 | """ Enable the combobox """ |
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369 | self.cbModel.setEnabled(True) |
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370 | self.lblModel.setEnabled(True) |
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371 | |
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372 | def disableStructureCombo(self): |
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373 | """ Disable the combobox """ |
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374 | self.cbStructureFactor.setEnabled(False) |
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375 | self.lblStructure.setEnabled(False) |
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376 | |
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377 | def enableStructureCombo(self): |
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378 | """ Enable the combobox """ |
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379 | self.cbStructureFactor.setEnabled(True) |
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380 | self.lblStructure.setEnabled(True) |
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381 | |
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382 | def togglePoly(self, isChecked): |
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383 | """ Enable/disable the polydispersity tab """ |
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384 | self.tabFitting.setTabEnabled(TAB_POLY, isChecked) |
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385 | |
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386 | def toggleMagnetism(self, isChecked): |
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387 | """ Enable/disable the magnetism tab """ |
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388 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked) |
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389 | |
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390 | def toggle2D(self, isChecked): |
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391 | """ Enable/disable the controls dependent on 1D/2D data instance """ |
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392 | self.chkMagnetism.setEnabled(isChecked) |
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393 | self.is2D = isChecked |
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394 | # Reload the current model |
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395 | if self.kernel_module: |
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396 | self.onSelectModel() |
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397 | |
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398 | def initializeControls(self): |
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399 | """ |
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400 | Set initial control enablement |
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401 | """ |
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402 | self.cbFileNames.setVisible(False) |
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403 | self.cmdFit.setEnabled(False) |
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404 | self.cmdPlot.setEnabled(False) |
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405 | self.options_widget.cmdComputePoints.setVisible(False) # probably redundant |
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406 | self.chkPolydispersity.setEnabled(True) |
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407 | self.chkPolydispersity.setCheckState(False) |
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408 | self.chk2DView.setEnabled(True) |
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409 | self.chk2DView.setCheckState(False) |
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410 | self.chkMagnetism.setEnabled(False) |
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411 | self.chkMagnetism.setCheckState(False) |
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412 | # Tabs |
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413 | self.tabFitting.setTabEnabled(TAB_POLY, False) |
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414 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, False) |
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415 | self.lblChi2Value.setText("---") |
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416 | # Smearing tab |
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417 | self.smearing_widget.updateSmearing(self.data) |
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418 | # Line edits in the option tab |
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419 | self.updateQRange() |
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420 | |
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421 | def initializeSignals(self): |
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422 | """ |
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423 | Connect GUI element signals |
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424 | """ |
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425 | # Comboboxes |
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426 | self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor) |
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427 | self.cbCategory.currentIndexChanged.connect(self.onSelectCategory) |
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428 | self.cbModel.currentIndexChanged.connect(self.onSelectModel) |
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429 | self.cbFileNames.currentIndexChanged.connect(self.onSelectBatchFilename) |
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430 | # Checkboxes |
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431 | self.chk2DView.toggled.connect(self.toggle2D) |
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432 | self.chkPolydispersity.toggled.connect(self.togglePoly) |
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433 | self.chkMagnetism.toggled.connect(self.toggleMagnetism) |
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434 | # Buttons |
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435 | self.cmdFit.clicked.connect(self.onFit) |
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436 | self.cmdPlot.clicked.connect(self.onPlot) |
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437 | self.cmdHelp.clicked.connect(self.onHelp) |
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438 | self.cmdMagneticDisplay.clicked.connect(self.onDisplayMagneticAngles) |
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439 | |
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440 | # Respond to change in parameters from the UI |
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441 | self._model_model.itemChanged.connect(self.onMainParamsChange) |
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442 | self._poly_model.itemChanged.connect(self.onPolyModelChange) |
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443 | self._magnet_model.itemChanged.connect(self.onMagnetModelChange) |
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444 | |
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445 | # Signals from separate tabs asking for replot |
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446 | self.options_widget.plot_signal.connect(self.onOptionsUpdate) |
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447 | |
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448 | def showModelDescription(self, position): |
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449 | """ |
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450 | Shows a window with model description, when right clicked in the treeview |
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451 | """ |
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452 | msg = 'Model description:\n' |
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453 | if self.kernel_module is not None: |
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454 | if str(self.kernel_module.description).rstrip().lstrip() == '': |
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455 | msg += "Sorry, no information is available for this model." |
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456 | else: |
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457 | msg += self.kernel_module.description + '\n' |
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458 | else: |
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459 | msg += "You must select a model to get information on this" |
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460 | |
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461 | menu = QtGui.QMenu() |
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462 | label = QtGui.QLabel(msg) |
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463 | action = QtGui.QWidgetAction(self) |
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464 | action.setDefaultWidget(label) |
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465 | menu.addAction(action) |
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466 | menu.exec_(self.lstParams.viewport().mapToGlobal(position)) |
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467 | |
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468 | def onSelectModel(self): |
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469 | """ |
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470 | Respond to select Model from list event |
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471 | """ |
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472 | model = str(self.cbModel.currentText()) |
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473 | |
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474 | # Reset structure factor |
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475 | self.cbStructureFactor.setCurrentIndex(0) |
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476 | |
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477 | # Reset parameters to fit |
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478 | self.parameters_to_fit = None |
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479 | self.has_error_column = False |
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480 | self.has_poly_error_column = False |
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481 | |
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482 | self.respondToModelStructure(model=model, structure_factor=None) |
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483 | |
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484 | def onSelectBatchFilename(self, data_index): |
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485 | """ |
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486 | Update the logic based on the selected file in batch fitting |
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487 | """ |
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488 | self._index = self.all_data[data_index] |
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489 | self.logic.data = GuiUtils.dataFromItem(self.all_data[data_index]) |
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490 | self.updateQRange() |
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491 | |
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492 | def onSelectStructureFactor(self): |
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493 | """ |
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494 | Select Structure Factor from list |
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495 | """ |
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496 | model = str(self.cbModel.currentText()) |
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497 | category = str(self.cbCategory.currentText()) |
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498 | structure = str(self.cbStructureFactor.currentText()) |
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499 | if category == CATEGORY_STRUCTURE: |
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500 | model = None |
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501 | self.respondToModelStructure(model=model, structure_factor=structure) |
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502 | |
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503 | def respondToModelStructure(self, model=None, structure_factor=None): |
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504 | # Set enablement on calculate/plot |
---|
505 | self.cmdPlot.setEnabled(True) |
---|
506 | |
---|
507 | # kernel parameters -> model_model |
---|
508 | self.SASModelToQModel(model, structure_factor) |
---|
509 | |
---|
510 | if self.data_is_loaded: |
---|
511 | self.cmdPlot.setText("Show Plot") |
---|
512 | self.calculateQGridForModel() |
---|
513 | else: |
---|
514 | self.cmdPlot.setText("Calculate") |
---|
515 | # Create default datasets if no data passed |
---|
516 | self.createDefaultDataset() |
---|
517 | |
---|
518 | # Update state stack |
---|
519 | self.updateUndo() |
---|
520 | |
---|
521 | def onSelectCategory(self): |
---|
522 | """ |
---|
523 | Select Category from list |
---|
524 | """ |
---|
525 | category = str(self.cbCategory.currentText()) |
---|
526 | # Check if the user chose "Choose category entry" |
---|
527 | if category == CATEGORY_DEFAULT: |
---|
528 | # if the previous category was not the default, keep it. |
---|
529 | # Otherwise, just return |
---|
530 | if self._previous_category_index != 0: |
---|
531 | # We need to block signals, or else state changes on perceived unchanged conditions |
---|
532 | self.cbCategory.blockSignals(True) |
---|
533 | self.cbCategory.setCurrentIndex(self._previous_category_index) |
---|
534 | self.cbCategory.blockSignals(False) |
---|
535 | return |
---|
536 | |
---|
537 | if category == CATEGORY_STRUCTURE: |
---|
538 | self.disableModelCombo() |
---|
539 | self.enableStructureCombo() |
---|
540 | self._model_model.clear() |
---|
541 | return |
---|
542 | |
---|
543 | # Safely clear and enable the model combo |
---|
544 | self.cbModel.blockSignals(True) |
---|
545 | self.cbModel.clear() |
---|
546 | self.cbModel.blockSignals(False) |
---|
547 | self.enableModelCombo() |
---|
548 | self.disableStructureCombo() |
---|
549 | |
---|
550 | self._previous_category_index = self.cbCategory.currentIndex() |
---|
551 | # Retrieve the list of models |
---|
552 | model_list = self.master_category_dict[category] |
---|
553 | # Populate the models combobox |
---|
554 | self.cbModel.addItems(sorted([model for (model, _) in model_list])) |
---|
555 | |
---|
556 | def onPolyModelChange(self, item): |
---|
557 | """ |
---|
558 | Callback method for updating the main model and sasmodel |
---|
559 | parameters with the GUI values in the polydispersity view |
---|
560 | """ |
---|
561 | model_column = item.column() |
---|
562 | model_row = item.row() |
---|
563 | name_index = self._poly_model.index(model_row, 0) |
---|
564 | parameter_name = str(name_index.data().toString()).lower() # "distribution of sld" etc. |
---|
565 | if "distribution of" in parameter_name: |
---|
566 | # just the last word |
---|
567 | parameter_name = parameter_name.rsplit()[-1] |
---|
568 | |
---|
569 | # Extract changed value. |
---|
570 | if model_column == self.lstPoly.itemDelegate().poly_parameter: |
---|
571 | # Is the parameter checked for fitting? |
---|
572 | value = item.checkState() |
---|
573 | parameter_name = parameter_name + '.width' |
---|
574 | if value == QtCore.Qt.Checked: |
---|
575 | self.parameters_to_fit.append(parameter_name) |
---|
576 | else: |
---|
577 | if parameter_name in self.parameters_to_fit: |
---|
578 | self.parameters_to_fit.remove(parameter_name) |
---|
579 | self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded) |
---|
580 | return |
---|
581 | elif model_column in [self.lstPoly.itemDelegate().poly_min, self.lstPoly.itemDelegate().poly_max]: |
---|
582 | try: |
---|
583 | value = float(item.text()) |
---|
584 | except ValueError: |
---|
585 | # Can't be converted properly, bring back the old value and exit |
---|
586 | return |
---|
587 | |
---|
588 | current_details = self.kernel_module.details[parameter_name] |
---|
589 | current_details[model_column-1] = value |
---|
590 | elif model_column == self.lstPoly.itemDelegate().poly_function: |
---|
591 | # name of the function - just pass |
---|
592 | return |
---|
593 | elif model_column == self.lstPoly.itemDelegate().poly_filename: |
---|
594 | # filename for array - just pass |
---|
595 | return |
---|
596 | else: |
---|
597 | try: |
---|
598 | value = float(item.text()) |
---|
599 | except ValueError: |
---|
600 | # Can't be converted properly, bring back the old value and exit |
---|
601 | return |
---|
602 | |
---|
603 | # Update the sasmodel |
---|
604 | # PD[ratio] -> width, npts -> npts, nsigs -> nsigmas |
---|
605 | self.kernel_module.setParam(parameter_name + '.' + \ |
---|
606 | self.lstPoly.itemDelegate().columnDict()[model_column], value) |
---|
607 | |
---|
608 | def onMagnetModelChange(self, item): |
---|
609 | """ |
---|
610 | Callback method for updating the sasmodel magnetic parameters with the GUI values |
---|
611 | """ |
---|
612 | model_column = item.column() |
---|
613 | model_row = item.row() |
---|
614 | name_index = self._magnet_model.index(model_row, 0) |
---|
615 | parameter_name = str(self._magnet_model.data(name_index).toPyObject()) |
---|
616 | |
---|
617 | if model_column == 0: |
---|
618 | value = item.checkState() |
---|
619 | if value == QtCore.Qt.Checked: |
---|
620 | self.parameters_to_fit.append(parameter_name) |
---|
621 | else: |
---|
622 | if parameter_name in self.parameters_to_fit: |
---|
623 | self.parameters_to_fit.remove(parameter_name) |
---|
624 | self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded) |
---|
625 | # Update state stack |
---|
626 | self.updateUndo() |
---|
627 | return |
---|
628 | |
---|
629 | # Extract changed value. |
---|
630 | try: |
---|
631 | value = float(item.text()) |
---|
632 | except ValueError: |
---|
633 | # Unparsable field |
---|
634 | return |
---|
635 | |
---|
636 | property_index = self._magnet_model.headerData(1, model_column).toInt()[0]-1 # Value, min, max, etc. |
---|
637 | |
---|
638 | # Update the parameter value - note: this supports +/-inf as well |
---|
639 | self.kernel_module.params[parameter_name] = value |
---|
640 | |
---|
641 | # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf] |
---|
642 | self.kernel_module.details[parameter_name][property_index] = value |
---|
643 | |
---|
644 | # Force the chart update when actual parameters changed |
---|
645 | if model_column == 1: |
---|
646 | self.recalculatePlotData() |
---|
647 | |
---|
648 | # Update state stack |
---|
649 | self.updateUndo() |
---|
650 | |
---|
651 | def onHelp(self): |
---|
652 | """ |
---|
653 | Show the "Fitting" section of help |
---|
654 | """ |
---|
655 | tree_location = GuiUtils.HELP_DIRECTORY_LOCATION + "/user/sasgui/perspectives/fitting/" |
---|
656 | |
---|
657 | # Actual file will depend on the current tab |
---|
658 | tab_id = self.tabFitting.currentIndex() |
---|
659 | helpfile = "fitting.html" |
---|
660 | if tab_id == 0: |
---|
661 | helpfile = "fitting_help.html" |
---|
662 | elif tab_id == 1: |
---|
663 | helpfile = "residuals_help.html" |
---|
664 | elif tab_id == 2: |
---|
665 | helpfile = "sm_help.html" |
---|
666 | elif tab_id == 3: |
---|
667 | helpfile = "pd_help.html" |
---|
668 | elif tab_id == 4: |
---|
669 | helpfile = "mag_help.html" |
---|
670 | help_location = tree_location + helpfile |
---|
671 | self.helpView.load(QtCore.QUrl(help_location)) |
---|
672 | self.helpView.show() |
---|
673 | |
---|
674 | def onDisplayMagneticAngles(self): |
---|
675 | """ |
---|
676 | Display a simple image showing direction of magnetic angles |
---|
677 | """ |
---|
678 | self.magneticAnglesWidget.show() |
---|
679 | |
---|
680 | def onFit(self): |
---|
681 | """ |
---|
682 | Perform fitting on the current data |
---|
683 | """ |
---|
684 | |
---|
685 | # Data going in |
---|
686 | data = self.logic.data |
---|
687 | model = self.kernel_module |
---|
688 | qmin = self.q_range_min |
---|
689 | qmax = self.q_range_max |
---|
690 | params_to_fit = self.parameters_to_fit |
---|
691 | |
---|
692 | # Potential weights added directly to data |
---|
693 | self.addWeightingToData(data) |
---|
694 | |
---|
695 | # Potential smearing added |
---|
696 | # Remember that smearing_min/max can be None -> |
---|
697 | # deal with it until Python gets discriminated unions |
---|
698 | smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() |
---|
699 | |
---|
700 | # These should be updating somehow? |
---|
701 | fit_id = 0 |
---|
702 | constraints = [] |
---|
703 | smearer = None |
---|
704 | page_id = [210] |
---|
705 | handler = None |
---|
706 | batch_inputs = {} |
---|
707 | batch_outputs = {} |
---|
708 | list_page_id = [page_id] |
---|
709 | #--------------------------------- |
---|
710 | if USING_TWISTED: |
---|
711 | handler = None |
---|
712 | updater = None |
---|
713 | else: |
---|
714 | handler = ConsoleUpdate(parent=self.parent, |
---|
715 | manager=self, |
---|
716 | improvement_delta=0.1) |
---|
717 | updater = handler.update_fit |
---|
718 | |
---|
719 | # Parameterize the fitter |
---|
720 | fitters = [] |
---|
721 | for fit_index in self.all_data: |
---|
722 | fitter = Fit() |
---|
723 | data = GuiUtils.dataFromItem(fit_index) |
---|
724 | fitter.set_model(model, fit_id, params_to_fit, data=data, |
---|
725 | constraints=constraints) |
---|
726 | qmin, qmax, _ = self.logic.computeRangeFromData(data) |
---|
727 | fitter.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin, |
---|
728 | qmax=qmax) |
---|
729 | fitter.select_problem_for_fit(id=fit_id, value=1) |
---|
730 | fitter.fitter_id = page_id |
---|
731 | fit_id += 1 |
---|
732 | fitters.append(fitter) |
---|
733 | |
---|
734 | # Create the fitting thread, based on the fitter |
---|
735 | completefn = self.batchFitComplete if self.is_batch_fitting else self.fitComplete |
---|
736 | |
---|
737 | calc_fit = FitThread(handler=handler, |
---|
738 | fn=fitters, |
---|
739 | batch_inputs=batch_inputs, |
---|
740 | batch_outputs=batch_outputs, |
---|
741 | page_id=list_page_id, |
---|
742 | updatefn=updater, |
---|
743 | completefn=completefn) |
---|
744 | |
---|
745 | if USING_TWISTED: |
---|
746 | # start the trhrhread with twisted |
---|
747 | calc_thread = threads.deferToThread(calc_fit.compute) |
---|
748 | calc_thread.addCallback(self.fitComplete) |
---|
749 | calc_thread.addErrback(self.fitFailed) |
---|
750 | else: |
---|
751 | # Use the old python threads + Queue |
---|
752 | calc_fit.queue() |
---|
753 | calc_fit.ready(2.5) |
---|
754 | |
---|
755 | |
---|
756 | #disable the Fit button |
---|
757 | self.cmdFit.setText('Running...') |
---|
758 | self.communicate.statusBarUpdateSignal.emit('Fitting started...') |
---|
759 | self.cmdFit.setEnabled(False) |
---|
760 | |
---|
761 | def updateFit(self): |
---|
762 | """ |
---|
763 | """ |
---|
764 | print "UPDATE FIT" |
---|
765 | pass |
---|
766 | |
---|
767 | def fitFailed(self, reason): |
---|
768 | """ |
---|
769 | """ |
---|
770 | print "FIT FAILED: ", reason |
---|
771 | pass |
---|
772 | |
---|
773 | def batchFitComplete(self, result): |
---|
774 | """ |
---|
775 | Receive and display batch fitting results |
---|
776 | """ |
---|
777 | #re-enable the Fit button |
---|
778 | self.cmdFit.setText("Fit") |
---|
779 | self.cmdFit.setEnabled(True) |
---|
780 | |
---|
781 | print ("BATCH FITTING FINISHED") |
---|
782 | # Add the Qt version of wx.aui.AuiNotebook and populate it |
---|
783 | pass |
---|
784 | |
---|
785 | def fitComplete(self, result): |
---|
786 | """ |
---|
787 | Receive and display fitting results |
---|
788 | "result" is a tuple of actual result list and the fit time in seconds |
---|
789 | """ |
---|
790 | #re-enable the Fit button |
---|
791 | self.cmdFit.setText("Fit") |
---|
792 | self.cmdFit.setEnabled(True) |
---|
793 | |
---|
794 | assert result is not None |
---|
795 | |
---|
796 | res_list = result[0][0] |
---|
797 | res = res_list[0] |
---|
798 | if res.fitness is None or \ |
---|
799 | not np.isfinite(res.fitness) or \ |
---|
800 | np.any(res.pvec is None) or \ |
---|
801 | not np.all(np.isfinite(res.pvec)): |
---|
802 | msg = "Fitting did not converge!!!" |
---|
803 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
804 | logging.error(msg) |
---|
805 | return |
---|
806 | |
---|
807 | elapsed = result[1] |
---|
808 | msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed) |
---|
809 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
810 | |
---|
811 | self.chi2 = res.fitness |
---|
812 | param_list = res.param_list # ['radius', 'radius.width'] |
---|
813 | param_values = res.pvec # array([ 0.36221662, 0.0146783 ]) |
---|
814 | param_stderr = res.stderr # array([ 1.71293015, 1.71294233]) |
---|
815 | params_and_errors = zip(param_values, param_stderr) |
---|
816 | param_dict = dict(izip(param_list, params_and_errors)) |
---|
817 | |
---|
818 | # Dictionary of fitted parameter: value, error |
---|
819 | # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)} |
---|
820 | self.updateModelFromList(param_dict) |
---|
821 | |
---|
822 | self.updatePolyModelFromList(param_dict) |
---|
823 | |
---|
824 | self.updateMagnetModelFromList(param_dict) |
---|
825 | |
---|
826 | # update charts |
---|
827 | self.onPlot() |
---|
828 | |
---|
829 | # Read only value - we can get away by just printing it here |
---|
830 | chi2_repr = GuiUtils.formatNumber(self.chi2, high=True) |
---|
831 | self.lblChi2Value.setText(chi2_repr) |
---|
832 | |
---|
833 | def iterateOverModel(self, func): |
---|
834 | """ |
---|
835 | Take func and throw it inside the model row loop |
---|
836 | """ |
---|
837 | for row_i in xrange(self._model_model.rowCount()): |
---|
838 | func(row_i) |
---|
839 | |
---|
840 | def updateModelFromList(self, param_dict): |
---|
841 | """ |
---|
842 | Update the model with new parameters, create the errors column |
---|
843 | """ |
---|
844 | assert isinstance(param_dict, dict) |
---|
845 | if not dict: |
---|
846 | return |
---|
847 | |
---|
848 | def updateFittedValues(row): |
---|
849 | # Utility function for main model update |
---|
850 | # internal so can use closure for param_dict |
---|
851 | param_name = str(self._model_model.item(row, 0).text()) |
---|
852 | if param_name not in param_dict.keys(): |
---|
853 | return |
---|
854 | # modify the param value |
---|
855 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
856 | self._model_model.item(row, 1).setText(param_repr) |
---|
857 | if self.has_error_column: |
---|
858 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
859 | self._model_model.item(row, 2).setText(error_repr) |
---|
860 | |
---|
861 | def updatePolyValues(row): |
---|
862 | # Utility function for updateof polydispersity part of the main model |
---|
863 | param_name = str(self._model_model.item(row, 0).text())+'.width' |
---|
864 | if param_name not in param_dict.keys(): |
---|
865 | return |
---|
866 | # modify the param value |
---|
867 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
868 | self._model_model.item(row, 0).child(0).child(0,1).setText(param_repr) |
---|
869 | |
---|
870 | def createErrorColumn(row): |
---|
871 | # Utility function for error column update |
---|
872 | item = QtGui.QStandardItem() |
---|
873 | def createItem(param_name): |
---|
874 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
875 | item.setText(error_repr) |
---|
876 | def curr_param(): |
---|
877 | return str(self._model_model.item(row, 0).text()) |
---|
878 | |
---|
879 | [createItem(param_name) for param_name in param_dict.keys() if curr_param() == param_name] |
---|
880 | |
---|
881 | error_column.append(item) |
---|
882 | |
---|
883 | # block signals temporarily, so we don't end up |
---|
884 | # updating charts with every single model change on the end of fitting |
---|
885 | self._model_model.blockSignals(True) |
---|
886 | self.iterateOverModel(updateFittedValues) |
---|
887 | self.iterateOverModel(updatePolyValues) |
---|
888 | self._model_model.blockSignals(False) |
---|
889 | |
---|
890 | if self.has_error_column: |
---|
891 | return |
---|
892 | |
---|
893 | error_column = [] |
---|
894 | self.lstParams.itemDelegate().addErrorColumn() |
---|
895 | self.iterateOverModel(createErrorColumn) |
---|
896 | |
---|
897 | # switch off reponse to model change |
---|
898 | self._model_model.blockSignals(True) |
---|
899 | self._model_model.insertColumn(2, error_column) |
---|
900 | self._model_model.blockSignals(False) |
---|
901 | FittingUtilities.addErrorHeadersToModel(self._model_model) |
---|
902 | # Adjust the table cells width. |
---|
903 | # TODO: find a way to dynamically adjust column width while resized expanding |
---|
904 | self.lstParams.resizeColumnToContents(0) |
---|
905 | self.lstParams.resizeColumnToContents(4) |
---|
906 | self.lstParams.resizeColumnToContents(5) |
---|
907 | self.lstParams.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
---|
908 | |
---|
909 | self.has_error_column = True |
---|
910 | |
---|
911 | def updatePolyModelFromList(self, param_dict): |
---|
912 | """ |
---|
913 | Update the polydispersity model with new parameters, create the errors column |
---|
914 | """ |
---|
915 | assert isinstance(param_dict, dict) |
---|
916 | if not dict: |
---|
917 | return |
---|
918 | |
---|
919 | def iterateOverPolyModel(func): |
---|
920 | """ |
---|
921 | Take func and throw it inside the poly model row loop |
---|
922 | """ |
---|
923 | for row_i in xrange(self._poly_model.rowCount()): |
---|
924 | func(row_i) |
---|
925 | |
---|
926 | def updateFittedValues(row_i): |
---|
927 | # Utility function for main model update |
---|
928 | # internal so can use closure for param_dict |
---|
929 | if row_i >= self._poly_model.rowCount(): |
---|
930 | return |
---|
931 | param_name = str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width' |
---|
932 | if param_name not in param_dict.keys(): |
---|
933 | return |
---|
934 | # modify the param value |
---|
935 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
936 | self._poly_model.item(row_i, 1).setText(param_repr) |
---|
937 | if self.has_poly_error_column: |
---|
938 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
939 | self._poly_model.item(row_i, 2).setText(error_repr) |
---|
940 | |
---|
941 | |
---|
942 | def createErrorColumn(row_i): |
---|
943 | # Utility function for error column update |
---|
944 | if row_i >= self._poly_model.rowCount(): |
---|
945 | return |
---|
946 | item = QtGui.QStandardItem() |
---|
947 | |
---|
948 | def createItem(param_name): |
---|
949 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
950 | item.setText(error_repr) |
---|
951 | |
---|
952 | def poly_param(): |
---|
953 | return str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width' |
---|
954 | |
---|
955 | [createItem(param_name) for param_name in param_dict.keys() if poly_param() == param_name] |
---|
956 | |
---|
957 | error_column.append(item) |
---|
958 | |
---|
959 | # block signals temporarily, so we don't end up |
---|
960 | # updating charts with every single model change on the end of fitting |
---|
961 | self._poly_model.blockSignals(True) |
---|
962 | iterateOverPolyModel(updateFittedValues) |
---|
963 | self._poly_model.blockSignals(False) |
---|
964 | |
---|
965 | if self.has_poly_error_column: |
---|
966 | return |
---|
967 | |
---|
968 | self.lstPoly.itemDelegate().addErrorColumn() |
---|
969 | error_column = [] |
---|
970 | iterateOverPolyModel(createErrorColumn) |
---|
971 | |
---|
972 | # switch off reponse to model change |
---|
973 | self._poly_model.blockSignals(True) |
---|
974 | self._poly_model.insertColumn(2, error_column) |
---|
975 | self._poly_model.blockSignals(False) |
---|
976 | FittingUtilities.addErrorPolyHeadersToModel(self._poly_model) |
---|
977 | |
---|
978 | self.has_poly_error_column = True |
---|
979 | |
---|
980 | def updateMagnetModelFromList(self, param_dict): |
---|
981 | """ |
---|
982 | Update the magnetic model with new parameters, create the errors column |
---|
983 | """ |
---|
984 | assert isinstance(param_dict, dict) |
---|
985 | if not dict: |
---|
986 | return |
---|
987 | |
---|
988 | def iterateOverMagnetModel(func): |
---|
989 | """ |
---|
990 | Take func and throw it inside the magnet model row loop |
---|
991 | """ |
---|
992 | for row_i in xrange(self._model_model.rowCount()): |
---|
993 | func(row_i) |
---|
994 | |
---|
995 | def updateFittedValues(row): |
---|
996 | # Utility function for main model update |
---|
997 | # internal so can use closure for param_dict |
---|
998 | param_name = str(self._magnet_model.item(row, 0).text()) |
---|
999 | if param_name not in param_dict.keys(): |
---|
1000 | return |
---|
1001 | # modify the param value |
---|
1002 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
1003 | self._magnet_model.item(row, 1).setText(param_repr) |
---|
1004 | if self.has_magnet_error_column: |
---|
1005 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
1006 | self._magnet_model.item(row, 2).setText(error_repr) |
---|
1007 | |
---|
1008 | def createErrorColumn(row): |
---|
1009 | # Utility function for error column update |
---|
1010 | item = QtGui.QStandardItem() |
---|
1011 | def createItem(param_name): |
---|
1012 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
1013 | item.setText(error_repr) |
---|
1014 | def curr_param(): |
---|
1015 | return str(self._magnet_model.item(row, 0).text()) |
---|
1016 | |
---|
1017 | [createItem(param_name) for param_name in param_dict.keys() if curr_param() == param_name] |
---|
1018 | |
---|
1019 | error_column.append(item) |
---|
1020 | |
---|
1021 | # block signals temporarily, so we don't end up |
---|
1022 | # updating charts with every single model change on the end of fitting |
---|
1023 | self._magnet_model.blockSignals(True) |
---|
1024 | iterateOverMagnetModel(updateFittedValues) |
---|
1025 | self._magnet_model.blockSignals(False) |
---|
1026 | |
---|
1027 | if self.has_magnet_error_column: |
---|
1028 | return |
---|
1029 | |
---|
1030 | self.lstMagnetic.itemDelegate().addErrorColumn() |
---|
1031 | error_column = [] |
---|
1032 | iterateOverMagnetModel(createErrorColumn) |
---|
1033 | |
---|
1034 | # switch off reponse to model change |
---|
1035 | self._magnet_model.blockSignals(True) |
---|
1036 | self._magnet_model.insertColumn(2, error_column) |
---|
1037 | self._magnet_model.blockSignals(False) |
---|
1038 | FittingUtilities.addErrorHeadersToModel(self._magnet_model) |
---|
1039 | |
---|
1040 | self.has_magnet_error_column = True |
---|
1041 | |
---|
1042 | def onPlot(self): |
---|
1043 | """ |
---|
1044 | Plot the current set of data |
---|
1045 | """ |
---|
1046 | # Regardless of previous state, this should now be `plot show` functionality only |
---|
1047 | self.cmdPlot.setText("Show Plot") |
---|
1048 | if not self.data_is_loaded: |
---|
1049 | self.recalculatePlotData() |
---|
1050 | self.showPlot() |
---|
1051 | |
---|
1052 | def recalculatePlotData(self): |
---|
1053 | """ |
---|
1054 | Generate a new dataset for model |
---|
1055 | """ |
---|
1056 | if not self.data_is_loaded: |
---|
1057 | self.createDefaultDataset() |
---|
1058 | self.calculateQGridForModel() |
---|
1059 | |
---|
1060 | def showPlot(self): |
---|
1061 | """ |
---|
1062 | Show the current plot in MPL |
---|
1063 | """ |
---|
1064 | # Show the chart if ready |
---|
1065 | data_to_show = self.data if self.data_is_loaded else self.model_data |
---|
1066 | if data_to_show is not None: |
---|
1067 | self.communicate.plotRequestedSignal.emit([data_to_show]) |
---|
1068 | |
---|
1069 | def onOptionsUpdate(self): |
---|
1070 | """ |
---|
1071 | Update local option values and replot |
---|
1072 | """ |
---|
1073 | self.q_range_min, self.q_range_max, self.npts, self.log_points, self.weighting = \ |
---|
1074 | self.options_widget.state() |
---|
1075 | # set Q range labels on the main tab |
---|
1076 | self.lblMinRangeDef.setText(str(self.q_range_min)) |
---|
1077 | self.lblMaxRangeDef.setText(str(self.q_range_max)) |
---|
1078 | self.recalculatePlotData() |
---|
1079 | |
---|
1080 | def setDefaultStructureCombo(self): |
---|
1081 | """ |
---|
1082 | Fill in the structure factors combo box with defaults |
---|
1083 | """ |
---|
1084 | structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE) |
---|
1085 | factors = [factor[0] for factor in structure_factor_list] |
---|
1086 | factors.insert(0, STRUCTURE_DEFAULT) |
---|
1087 | self.cbStructureFactor.clear() |
---|
1088 | self.cbStructureFactor.addItems(sorted(factors)) |
---|
1089 | |
---|
1090 | def createDefaultDataset(self): |
---|
1091 | """ |
---|
1092 | Generate default Dataset 1D/2D for the given model |
---|
1093 | """ |
---|
1094 | # Create default datasets if no data passed |
---|
1095 | if self.is2D: |
---|
1096 | qmax = self.q_range_max/np.sqrt(2) |
---|
1097 | qstep = self.npts |
---|
1098 | self.logic.createDefault2dData(qmax, qstep, self.tab_id) |
---|
1099 | return |
---|
1100 | elif self.log_points: |
---|
1101 | qmin = -10.0 if self.q_range_min < 1.e-10 else np.log10(self.q_range_min) |
---|
1102 | qmax = 10.0 if self.q_range_max > 1.e10 else np.log10(self.q_range_max) |
---|
1103 | interval = np.logspace(start=qmin, stop=qmax, num=self.npts, endpoint=True, base=10.0) |
---|
1104 | else: |
---|
1105 | interval = np.linspace(start=self.q_range_min, stop=self.q_range_max, |
---|
1106 | num=self.npts, endpoint=True) |
---|
1107 | self.logic.createDefault1dData(interval, self.tab_id) |
---|
1108 | |
---|
1109 | def readCategoryInfo(self): |
---|
1110 | """ |
---|
1111 | Reads the categories in from file |
---|
1112 | """ |
---|
1113 | self.master_category_dict = defaultdict(list) |
---|
1114 | self.by_model_dict = defaultdict(list) |
---|
1115 | self.model_enabled_dict = defaultdict(bool) |
---|
1116 | |
---|
1117 | categorization_file = CategoryInstaller.get_user_file() |
---|
1118 | if not os.path.isfile(categorization_file): |
---|
1119 | categorization_file = CategoryInstaller.get_default_file() |
---|
1120 | with open(categorization_file, 'rb') as cat_file: |
---|
1121 | self.master_category_dict = json.load(cat_file) |
---|
1122 | self.regenerateModelDict() |
---|
1123 | |
---|
1124 | # Load the model dict |
---|
1125 | models = load_standard_models() |
---|
1126 | for model in models: |
---|
1127 | self.models[model.name] = model |
---|
1128 | |
---|
1129 | def regenerateModelDict(self): |
---|
1130 | """ |
---|
1131 | Regenerates self.by_model_dict which has each model name as the |
---|
1132 | key and the list of categories belonging to that model |
---|
1133 | along with the enabled mapping |
---|
1134 | """ |
---|
1135 | self.by_model_dict = defaultdict(list) |
---|
1136 | for category in self.master_category_dict: |
---|
1137 | for (model, enabled) in self.master_category_dict[category]: |
---|
1138 | self.by_model_dict[model].append(category) |
---|
1139 | self.model_enabled_dict[model] = enabled |
---|
1140 | |
---|
1141 | def addBackgroundToModel(self, model): |
---|
1142 | """ |
---|
1143 | Adds background parameter with default values to the model |
---|
1144 | """ |
---|
1145 | assert isinstance(model, QtGui.QStandardItemModel) |
---|
1146 | checked_list = ['background', '0.001', '-inf', 'inf', '1/cm'] |
---|
1147 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
1148 | last_row = model.rowCount()-1 |
---|
1149 | model.item(last_row, 0).setEditable(False) |
---|
1150 | model.item(last_row, 4).setEditable(False) |
---|
1151 | |
---|
1152 | def addScaleToModel(self, model): |
---|
1153 | """ |
---|
1154 | Adds scale parameter with default values to the model |
---|
1155 | """ |
---|
1156 | assert isinstance(model, QtGui.QStandardItemModel) |
---|
1157 | checked_list = ['scale', '1.0', '0.0', 'inf', ''] |
---|
1158 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
1159 | last_row = model.rowCount()-1 |
---|
1160 | model.item(last_row, 0).setEditable(False) |
---|
1161 | model.item(last_row, 4).setEditable(False) |
---|
1162 | |
---|
1163 | def addWeightingToData(self, data): |
---|
1164 | """ |
---|
1165 | Adds weighting contribution to fitting data |
---|
1166 | """ |
---|
1167 | # Send original data for weighting |
---|
1168 | weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting) |
---|
1169 | update_module = data.err_data if self.is2D else data.dy |
---|
1170 | # Overwrite relevant values in data |
---|
1171 | update_module = weight |
---|
1172 | |
---|
1173 | def updateQRange(self): |
---|
1174 | """ |
---|
1175 | Updates Q Range display |
---|
1176 | """ |
---|
1177 | if self.data_is_loaded: |
---|
1178 | self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange() |
---|
1179 | # set Q range labels on the main tab |
---|
1180 | self.lblMinRangeDef.setText(str(self.q_range_min)) |
---|
1181 | self.lblMaxRangeDef.setText(str(self.q_range_max)) |
---|
1182 | # set Q range labels on the options tab |
---|
1183 | self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts) |
---|
1184 | |
---|
1185 | def SASModelToQModel(self, model_name, structure_factor=None): |
---|
1186 | """ |
---|
1187 | Setting model parameters into table based on selected category |
---|
1188 | """ |
---|
1189 | # Crete/overwrite model items |
---|
1190 | self._model_model.clear() |
---|
1191 | |
---|
1192 | # First, add parameters from the main model |
---|
1193 | if model_name is not None: |
---|
1194 | self.fromModelToQModel(model_name) |
---|
1195 | |
---|
1196 | # Then, add structure factor derived parameters |
---|
1197 | if structure_factor is not None and structure_factor != "None": |
---|
1198 | if model_name is None: |
---|
1199 | # Instantiate the current sasmodel for SF-only models |
---|
1200 | self.kernel_module = self.models[structure_factor]() |
---|
1201 | self.fromStructureFactorToQModel(structure_factor) |
---|
1202 | else: |
---|
1203 | # Allow the SF combobox visibility for the given sasmodel |
---|
1204 | self.enableStructureFactorControl(structure_factor) |
---|
1205 | |
---|
1206 | # Then, add multishells |
---|
1207 | if model_name is not None: |
---|
1208 | # Multishell models need additional treatment |
---|
1209 | self.addExtraShells() |
---|
1210 | |
---|
1211 | # Add polydispersity to the model |
---|
1212 | self.setPolyModel() |
---|
1213 | # Add magnetic parameters to the model |
---|
1214 | self.setMagneticModel() |
---|
1215 | |
---|
1216 | # Adjust the table cells width |
---|
1217 | self.lstParams.resizeColumnToContents(0) |
---|
1218 | self.lstParams.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
---|
1219 | |
---|
1220 | # Now we claim the model has been loaded |
---|
1221 | self.model_is_loaded = True |
---|
1222 | |
---|
1223 | # (Re)-create headers |
---|
1224 | FittingUtilities.addHeadersToModel(self._model_model) |
---|
1225 | self.lstParams.header().setFont(self.boldFont) |
---|
1226 | |
---|
1227 | # Update Q Ranges |
---|
1228 | self.updateQRange() |
---|
1229 | |
---|
1230 | def fromModelToQModel(self, model_name): |
---|
1231 | """ |
---|
1232 | Setting model parameters into QStandardItemModel based on selected _model_ |
---|
1233 | """ |
---|
1234 | kernel_module = generate.load_kernel_module(model_name) |
---|
1235 | self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', [])) |
---|
1236 | |
---|
1237 | # Instantiate the current sasmodel |
---|
1238 | self.kernel_module = self.models[model_name]() |
---|
1239 | |
---|
1240 | # Explicitly add scale and background with default values |
---|
1241 | temp_undo_state = self.undo_supported |
---|
1242 | self.undo_supported = False |
---|
1243 | self.addScaleToModel(self._model_model) |
---|
1244 | self.addBackgroundToModel(self._model_model) |
---|
1245 | self.undo_supported = temp_undo_state |
---|
1246 | |
---|
1247 | self.shell_names = self.shellNamesList() |
---|
1248 | |
---|
1249 | # Update the QModel |
---|
1250 | new_rows = FittingUtilities.addParametersToModel(self.model_parameters, self.kernel_module, self.is2D) |
---|
1251 | |
---|
1252 | for row in new_rows: |
---|
1253 | self._model_model.appendRow(row) |
---|
1254 | # Update the counter used for multishell display |
---|
1255 | self._last_model_row = self._model_model.rowCount() |
---|
1256 | |
---|
1257 | def fromStructureFactorToQModel(self, structure_factor): |
---|
1258 | """ |
---|
1259 | Setting model parameters into QStandardItemModel based on selected _structure factor_ |
---|
1260 | """ |
---|
1261 | structure_module = generate.load_kernel_module(structure_factor) |
---|
1262 | structure_parameters = modelinfo.make_parameter_table(getattr(structure_module, 'parameters', [])) |
---|
1263 | |
---|
1264 | new_rows = FittingUtilities.addSimpleParametersToModel(structure_parameters, self.is2D) |
---|
1265 | for row in new_rows: |
---|
1266 | self._model_model.appendRow(row) |
---|
1267 | # Update the counter used for multishell display |
---|
1268 | self._last_model_row = self._model_model.rowCount() |
---|
1269 | |
---|
1270 | def onMainParamsChange(self, item): |
---|
1271 | """ |
---|
1272 | Callback method for updating the sasmodel parameters with the GUI values |
---|
1273 | """ |
---|
1274 | model_column = item.column() |
---|
1275 | |
---|
1276 | if model_column == 0: |
---|
1277 | self.checkboxSelected(item) |
---|
1278 | self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded) |
---|
1279 | # Update state stack |
---|
1280 | self.updateUndo() |
---|
1281 | return |
---|
1282 | |
---|
1283 | model_row = item.row() |
---|
1284 | name_index = self._model_model.index(model_row, 0) |
---|
1285 | |
---|
1286 | # Extract changed value. |
---|
1287 | try: |
---|
1288 | value = float(item.text()) |
---|
1289 | except ValueError: |
---|
1290 | # Unparsable field |
---|
1291 | return |
---|
1292 | parameter_name = str(self._model_model.data(name_index).toPyObject()) # sld, background etc. |
---|
1293 | |
---|
1294 | # Update the parameter value - note: this supports +/-inf as well |
---|
1295 | self.kernel_module.params[parameter_name] = value |
---|
1296 | |
---|
1297 | # Update the parameter value - note: this supports +/-inf as well |
---|
1298 | param_column = self.lstParams.itemDelegate().param_value |
---|
1299 | min_column = self.lstParams.itemDelegate().param_min |
---|
1300 | max_column = self.lstParams.itemDelegate().param_max |
---|
1301 | if model_column == param_column: |
---|
1302 | self.kernel_module.setParam(parameter_name, value) |
---|
1303 | elif model_column == min_column: |
---|
1304 | # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf] |
---|
1305 | self.kernel_module.details[parameter_name][1] = value |
---|
1306 | elif model_column == max_column: |
---|
1307 | self.kernel_module.details[parameter_name][2] = value |
---|
1308 | else: |
---|
1309 | # don't update the chart |
---|
1310 | return |
---|
1311 | |
---|
1312 | # TODO: magnetic params in self.kernel_module.details['M0:parameter_name'] = value |
---|
1313 | # TODO: multishell params in self.kernel_module.details[??] = value |
---|
1314 | |
---|
1315 | # Force the chart update when actual parameters changed |
---|
1316 | if model_column == 1: |
---|
1317 | self.recalculatePlotData() |
---|
1318 | |
---|
1319 | # Update state stack |
---|
1320 | self.updateUndo() |
---|
1321 | |
---|
1322 | def checkboxSelected(self, item): |
---|
1323 | # Assure we're dealing with checkboxes |
---|
1324 | if not item.isCheckable(): |
---|
1325 | return |
---|
1326 | status = item.checkState() |
---|
1327 | |
---|
1328 | def isCheckable(row): |
---|
1329 | return self._model_model.item(row, 0).isCheckable() |
---|
1330 | |
---|
1331 | # If multiple rows selected - toggle all of them, filtering uncheckable |
---|
1332 | rows = [s.row() for s in self.lstParams.selectionModel().selectedRows() if isCheckable(s.row())] |
---|
1333 | |
---|
1334 | # Switch off signaling from the model to avoid recursion |
---|
1335 | self._model_model.blockSignals(True) |
---|
1336 | # Convert to proper indices and set requested enablement |
---|
1337 | [self._model_model.item(row, 0).setCheckState(status) for row in rows] |
---|
1338 | self._model_model.blockSignals(False) |
---|
1339 | |
---|
1340 | # update the list of parameters to fit |
---|
1341 | main_params = self.checkedListFromModel(self._model_model) |
---|
1342 | poly_params = self.checkedListFromModel(self._poly_model) |
---|
1343 | magnet_params = self.checkedListFromModel(self._magnet_model) |
---|
1344 | |
---|
1345 | # Retrieve poly params names |
---|
1346 | poly_params = [param.rsplit()[-1] + '.width' for param in poly_params] |
---|
1347 | |
---|
1348 | self.parameters_to_fit = main_params + poly_params + magnet_params |
---|
1349 | |
---|
1350 | def checkedListFromModel(self, model): |
---|
1351 | """ |
---|
1352 | Returns list of checked parameters for given model |
---|
1353 | """ |
---|
1354 | def isChecked(row): |
---|
1355 | return model.item(row, 0).checkState() == QtCore.Qt.Checked |
---|
1356 | |
---|
1357 | return [str(model.item(row_index, 0).text()) |
---|
1358 | for row_index in xrange(model.rowCount()) |
---|
1359 | if isChecked(row_index)] |
---|
1360 | |
---|
1361 | def nameForFittedData(self, name): |
---|
1362 | """ |
---|
1363 | Generate name for the current fit |
---|
1364 | """ |
---|
1365 | if self.is2D: |
---|
1366 | name += "2d" |
---|
1367 | name = "M%i [%s]" % (self.tab_id, name) |
---|
1368 | return name |
---|
1369 | |
---|
1370 | def createNewIndex(self, fitted_data): |
---|
1371 | """ |
---|
1372 | Create a model or theory index with passed Data1D/Data2D |
---|
1373 | """ |
---|
1374 | if self.data_is_loaded: |
---|
1375 | if not fitted_data.name: |
---|
1376 | name = self.nameForFittedData(self.data.filename) |
---|
1377 | fitted_data.title = name |
---|
1378 | fitted_data.name = name |
---|
1379 | fitted_data.filename = name |
---|
1380 | fitted_data.symbol = "Line" |
---|
1381 | self.updateModelIndex(fitted_data) |
---|
1382 | else: |
---|
1383 | name = self.nameForFittedData(self.kernel_module.name) |
---|
1384 | fitted_data.title = name |
---|
1385 | fitted_data.name = name |
---|
1386 | fitted_data.filename = name |
---|
1387 | fitted_data.symbol = "Line" |
---|
1388 | self.createTheoryIndex(fitted_data) |
---|
1389 | |
---|
1390 | def updateModelIndex(self, fitted_data): |
---|
1391 | """ |
---|
1392 | Update a QStandardModelIndex containing model data |
---|
1393 | """ |
---|
1394 | name = self.nameFromData(fitted_data) |
---|
1395 | # Make this a line if no other defined |
---|
1396 | if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None: |
---|
1397 | fitted_data.symbol = 'Line' |
---|
1398 | # Notify the GUI manager so it can update the main model in DataExplorer |
---|
1399 | GuiUtils.updateModelItemWithPlot(self._index, QtCore.QVariant(fitted_data), name) |
---|
1400 | |
---|
1401 | def createTheoryIndex(self, fitted_data): |
---|
1402 | """ |
---|
1403 | Create a QStandardModelIndex containing model data |
---|
1404 | """ |
---|
1405 | name = self.nameFromData(fitted_data) |
---|
1406 | # Notify the GUI manager so it can create the theory model in DataExplorer |
---|
1407 | new_item = GuiUtils.createModelItemWithPlot(QtCore.QVariant(fitted_data), name=name) |
---|
1408 | self.communicate.updateTheoryFromPerspectiveSignal.emit(new_item) |
---|
1409 | |
---|
1410 | def nameFromData(self, fitted_data): |
---|
1411 | """ |
---|
1412 | Return name for the dataset. Terribly impure function. |
---|
1413 | """ |
---|
1414 | if fitted_data.name is None: |
---|
1415 | name = self.nameForFittedData(self.logic.data.filename) |
---|
1416 | fitted_data.title = name |
---|
1417 | fitted_data.name = name |
---|
1418 | fitted_data.filename = name |
---|
1419 | else: |
---|
1420 | name = fitted_data.name |
---|
1421 | return name |
---|
1422 | |
---|
1423 | def methodCalculateForData(self): |
---|
1424 | '''return the method for data calculation''' |
---|
1425 | return Calc1D if isinstance(self.data, Data1D) else Calc2D |
---|
1426 | |
---|
1427 | def methodCompleteForData(self): |
---|
1428 | '''return the method for result parsin on calc complete ''' |
---|
1429 | return self.complete1D if isinstance(self.data, Data1D) else self.complete2D |
---|
1430 | |
---|
1431 | def calculateQGridForModel(self): |
---|
1432 | """ |
---|
1433 | Prepare the fitting data object, based on current ModelModel |
---|
1434 | """ |
---|
1435 | if self.kernel_module is None: |
---|
1436 | return |
---|
1437 | # Awful API to a backend method. |
---|
1438 | method = self.methodCalculateForData()(data=self.data, |
---|
1439 | model=self.kernel_module, |
---|
1440 | page_id=0, |
---|
1441 | qmin=self.q_range_min, |
---|
1442 | qmax=self.q_range_max, |
---|
1443 | smearer=None, |
---|
1444 | state=None, |
---|
1445 | weight=None, |
---|
1446 | fid=None, |
---|
1447 | toggle_mode_on=False, |
---|
1448 | completefn=None, |
---|
1449 | update_chisqr=True, |
---|
1450 | exception_handler=self.calcException, |
---|
1451 | source=None) |
---|
1452 | |
---|
1453 | calc_thread = threads.deferToThread(method.compute) |
---|
1454 | calc_thread.addCallback(self.methodCompleteForData()) |
---|
1455 | calc_thread.addErrback(self.calculateDataFailed) |
---|
1456 | |
---|
1457 | def calculateDataFailed(self, reason): |
---|
1458 | """ |
---|
1459 | Thread returned error |
---|
1460 | """ |
---|
1461 | print "Calculate Data failed with ", reason |
---|
1462 | |
---|
1463 | def complete1D(self, return_data): |
---|
1464 | """ |
---|
1465 | Plot the current 1D data |
---|
1466 | """ |
---|
1467 | fitted_data = self.logic.new1DPlot(return_data, self.tab_id) |
---|
1468 | self.calculateResiduals(fitted_data) |
---|
1469 | self.model_data = fitted_data |
---|
1470 | |
---|
1471 | def complete2D(self, return_data): |
---|
1472 | """ |
---|
1473 | Plot the current 2D data |
---|
1474 | """ |
---|
1475 | fitted_data = self.logic.new2DPlot(return_data) |
---|
1476 | self.calculateResiduals(fitted_data) |
---|
1477 | self.model_data = fitted_data |
---|
1478 | |
---|
1479 | def calculateResiduals(self, fitted_data): |
---|
1480 | """ |
---|
1481 | Calculate and print Chi2 and display chart of residuals |
---|
1482 | """ |
---|
1483 | # Create a new index for holding data |
---|
1484 | fitted_data.symbol = "Line" |
---|
1485 | |
---|
1486 | # Modify fitted_data with weighting |
---|
1487 | self.addWeightingToData(fitted_data) |
---|
1488 | |
---|
1489 | self.createNewIndex(fitted_data) |
---|
1490 | # Calculate difference between return_data and logic.data |
---|
1491 | self.chi2 = FittingUtilities.calculateChi2(fitted_data, self.logic.data) |
---|
1492 | # Update the control |
---|
1493 | chi2_repr = "---" if self.chi2 is None else GuiUtils.formatNumber(self.chi2, high=True) |
---|
1494 | self.lblChi2Value.setText(chi2_repr) |
---|
1495 | |
---|
1496 | self.communicate.plotUpdateSignal.emit([fitted_data]) |
---|
1497 | |
---|
1498 | # Plot residuals if actual data |
---|
1499 | if not self.data_is_loaded: |
---|
1500 | return |
---|
1501 | |
---|
1502 | residuals_plot = FittingUtilities.plotResiduals(self.data, fitted_data) |
---|
1503 | residuals_plot.id = "Residual " + residuals_plot.id |
---|
1504 | self.createNewIndex(residuals_plot) |
---|
1505 | self.communicate.plotUpdateSignal.emit([residuals_plot]) |
---|
1506 | |
---|
1507 | def calcException(self, etype, value, tb): |
---|
1508 | """ |
---|
1509 | Thread threw an exception. |
---|
1510 | """ |
---|
1511 | # TODO: remimplement thread cancellation |
---|
1512 | logging.error("".join(traceback.format_exception(etype, value, tb))) |
---|
1513 | |
---|
1514 | def setTableProperties(self, table): |
---|
1515 | """ |
---|
1516 | Setting table properties |
---|
1517 | """ |
---|
1518 | # Table properties |
---|
1519 | table.verticalHeader().setVisible(False) |
---|
1520 | table.setAlternatingRowColors(True) |
---|
1521 | table.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
---|
1522 | table.setSelectionBehavior(QtGui.QAbstractItemView.SelectRows) |
---|
1523 | table.resizeColumnsToContents() |
---|
1524 | |
---|
1525 | # Header |
---|
1526 | header = table.horizontalHeader() |
---|
1527 | header.setResizeMode(QtGui.QHeaderView.ResizeToContents) |
---|
1528 | |
---|
1529 | header.ResizeMode(QtGui.QHeaderView.Interactive) |
---|
1530 | # Resize column 0 and 7 to content |
---|
1531 | header.setResizeMode(0, QtGui.QHeaderView.ResizeToContents) |
---|
1532 | header.setResizeMode(7, QtGui.QHeaderView.ResizeToContents) |
---|
1533 | |
---|
1534 | def setPolyModel(self): |
---|
1535 | """ |
---|
1536 | Set polydispersity values |
---|
1537 | """ |
---|
1538 | if not self.model_parameters: |
---|
1539 | return |
---|
1540 | self._poly_model.clear() |
---|
1541 | |
---|
1542 | [self.setPolyModelParameters(i, param) for i, param in \ |
---|
1543 | enumerate(self.model_parameters.form_volume_parameters) if param.polydisperse] |
---|
1544 | FittingUtilities.addPolyHeadersToModel(self._poly_model) |
---|
1545 | |
---|
1546 | def setPolyModelParameters(self, i, param): |
---|
1547 | """ |
---|
1548 | Standard of multishell poly parameter driver |
---|
1549 | """ |
---|
1550 | param_name = param.name |
---|
1551 | # see it the parameter is multishell |
---|
1552 | if '[' in param.name: |
---|
1553 | # Skip empty shells |
---|
1554 | if self.current_shell_displayed == 0: |
---|
1555 | return |
---|
1556 | else: |
---|
1557 | # Create as many entries as current shells |
---|
1558 | for ishell in xrange(1, self.current_shell_displayed+1): |
---|
1559 | # Remove [n] and add the shell numeral |
---|
1560 | name = param_name[0:param_name.index('[')] + str(ishell) |
---|
1561 | self.addNameToPolyModel(i, name) |
---|
1562 | else: |
---|
1563 | # Just create a simple param entry |
---|
1564 | self.addNameToPolyModel(i, param_name) |
---|
1565 | |
---|
1566 | def addNameToPolyModel(self, i, param_name): |
---|
1567 | """ |
---|
1568 | Creates a checked row in the poly model with param_name |
---|
1569 | """ |
---|
1570 | # Polydisp. values from the sasmodel |
---|
1571 | width = self.kernel_module.getParam(param_name + '.width') |
---|
1572 | npts = self.kernel_module.getParam(param_name + '.npts') |
---|
1573 | nsigs = self.kernel_module.getParam(param_name + '.nsigmas') |
---|
1574 | _, min, max = self.kernel_module.details[param_name] |
---|
1575 | |
---|
1576 | # Construct a row with polydisp. related variable. |
---|
1577 | # This will get added to the polydisp. model |
---|
1578 | # Note: last argument needs extra space padding for decent display of the control |
---|
1579 | checked_list = ["Distribution of " + param_name, str(width), |
---|
1580 | str(min), str(max), |
---|
1581 | str(npts), str(nsigs), "gaussian ",''] |
---|
1582 | FittingUtilities.addCheckedListToModel(self._poly_model, checked_list) |
---|
1583 | |
---|
1584 | # All possible polydisp. functions as strings in combobox |
---|
1585 | func = QtGui.QComboBox() |
---|
1586 | func.addItems([str(name_disp) for name_disp in POLYDISPERSITY_MODELS.iterkeys()]) |
---|
1587 | # Set the default index |
---|
1588 | func.setCurrentIndex(func.findText(DEFAULT_POLYDISP_FUNCTION)) |
---|
1589 | ind = self._poly_model.index(i,self.lstPoly.itemDelegate().poly_function) |
---|
1590 | self.lstPoly.setIndexWidget(ind, func) |
---|
1591 | func.currentIndexChanged.connect(lambda: self.onPolyComboIndexChange(str(func.currentText()), i)) |
---|
1592 | |
---|
1593 | def onPolyFilenameChange(self, row_index): |
---|
1594 | """ |
---|
1595 | Respond to filename_updated signal from the delegate |
---|
1596 | """ |
---|
1597 | # For the given row, invoke the "array" combo handler |
---|
1598 | array_caption = 'array' |
---|
1599 | |
---|
1600 | # Get the combo box reference |
---|
1601 | ind = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function) |
---|
1602 | widget = self.lstPoly.indexWidget(ind) |
---|
1603 | |
---|
1604 | # Update the combo box so it displays "array" |
---|
1605 | widget.blockSignals(True) |
---|
1606 | widget.setCurrentIndex(self.lstPoly.itemDelegate().POLYDISPERSE_FUNCTIONS.index(array_caption)) |
---|
1607 | widget.blockSignals(False) |
---|
1608 | |
---|
1609 | # Invoke the file reader |
---|
1610 | self.onPolyComboIndexChange(array_caption, row_index) |
---|
1611 | |
---|
1612 | def onPolyComboIndexChange(self, combo_string, row_index): |
---|
1613 | """ |
---|
1614 | Modify polydisp. defaults on function choice |
---|
1615 | """ |
---|
1616 | # Get npts/nsigs for current selection |
---|
1617 | param = self.model_parameters.form_volume_parameters[row_index] |
---|
1618 | file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function) |
---|
1619 | combo_box = self.lstPoly.indexWidget(file_index) |
---|
1620 | |
---|
1621 | def updateFunctionCaption(row): |
---|
1622 | # Utility function for update of polydispersity function name in the main model |
---|
1623 | param_name = str(self._model_model.item(row, 0).text()) |
---|
1624 | if param_name != param.name: |
---|
1625 | return |
---|
1626 | # Modify the param value |
---|
1627 | self._model_model.item(row, 0).child(0).child(0,4).setText(combo_string) |
---|
1628 | |
---|
1629 | if combo_string == 'array': |
---|
1630 | try: |
---|
1631 | self.loadPolydispArray(row_index) |
---|
1632 | # Update main model for display |
---|
1633 | self.iterateOverModel(updateFunctionCaption) |
---|
1634 | # disable the row |
---|
1635 | lo = self.lstPoly.itemDelegate().poly_pd |
---|
1636 | hi = self.lstPoly.itemDelegate().poly_function |
---|
1637 | [self._poly_model.item(row_index, i).setEnabled(False) for i in xrange(lo, hi)] |
---|
1638 | return |
---|
1639 | except IOError: |
---|
1640 | combo_box.setCurrentIndex(self.orig_poly_index) |
---|
1641 | # Pass for cancel/bad read |
---|
1642 | pass |
---|
1643 | |
---|
1644 | # Enable the row in case it was disabled by Array |
---|
1645 | self._poly_model.blockSignals(True) |
---|
1646 | max_range = self.lstPoly.itemDelegate().poly_filename |
---|
1647 | [self._poly_model.item(row_index, i).setEnabled(True) for i in xrange(7)] |
---|
1648 | file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename) |
---|
1649 | self._poly_model.setData(file_index, QtCore.QVariant("")) |
---|
1650 | self._poly_model.blockSignals(False) |
---|
1651 | |
---|
1652 | npts_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_npts) |
---|
1653 | nsigs_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_nsigs) |
---|
1654 | |
---|
1655 | npts = POLYDISPERSITY_MODELS[str(combo_string)].default['npts'] |
---|
1656 | nsigs = POLYDISPERSITY_MODELS[str(combo_string)].default['nsigmas'] |
---|
1657 | |
---|
1658 | self._poly_model.setData(npts_index, QtCore.QVariant(npts)) |
---|
1659 | self._poly_model.setData(nsigs_index, QtCore.QVariant(nsigs)) |
---|
1660 | |
---|
1661 | self.iterateOverModel(updateFunctionCaption) |
---|
1662 | self.orig_poly_index = combo_box.currentIndex() |
---|
1663 | |
---|
1664 | def loadPolydispArray(self, row_index): |
---|
1665 | """ |
---|
1666 | Show the load file dialog and loads requested data into state |
---|
1667 | """ |
---|
1668 | datafile = QtGui.QFileDialog.getOpenFileName( |
---|
1669 | self, "Choose a weight file", "", "All files (*.*)", |
---|
1670 | None, QtGui.QFileDialog.DontUseNativeDialog) |
---|
1671 | |
---|
1672 | if datafile is None or str(datafile)=='': |
---|
1673 | logging.info("No weight data chosen.") |
---|
1674 | raise IOError |
---|
1675 | |
---|
1676 | values = [] |
---|
1677 | weights = [] |
---|
1678 | def appendData(data_tuple): |
---|
1679 | """ |
---|
1680 | Fish out floats from a tuple of strings |
---|
1681 | """ |
---|
1682 | try: |
---|
1683 | values.append(float(data_tuple[0])) |
---|
1684 | weights.append(float(data_tuple[1])) |
---|
1685 | except (ValueError, IndexError): |
---|
1686 | # just pass through if line with bad data |
---|
1687 | return |
---|
1688 | |
---|
1689 | with open(datafile, 'r') as column_file: |
---|
1690 | column_data = [line.rstrip().split() for line in column_file.readlines()] |
---|
1691 | [appendData(line) for line in column_data] |
---|
1692 | |
---|
1693 | # If everything went well - update the sasmodel values |
---|
1694 | self.disp_model = POLYDISPERSITY_MODELS['array']() |
---|
1695 | self.disp_model.set_weights(np.array(values), np.array(weights)) |
---|
1696 | # + update the cell with filename |
---|
1697 | fname = os.path.basename(str(datafile)) |
---|
1698 | fname_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename) |
---|
1699 | self._poly_model.setData(fname_index, QtCore.QVariant(fname)) |
---|
1700 | |
---|
1701 | def setMagneticModel(self): |
---|
1702 | """ |
---|
1703 | Set magnetism values on model |
---|
1704 | """ |
---|
1705 | if not self.model_parameters: |
---|
1706 | return |
---|
1707 | self._magnet_model.clear() |
---|
1708 | [self.addCheckedMagneticListToModel(param, self._magnet_model) for param in \ |
---|
1709 | self.model_parameters.call_parameters if param.type == 'magnetic'] |
---|
1710 | FittingUtilities.addHeadersToModel(self._magnet_model) |
---|
1711 | |
---|
1712 | def shellNamesList(self): |
---|
1713 | """ |
---|
1714 | Returns list of names of all multi-shell parameters |
---|
1715 | E.g. for sld[n], radius[n], n=1..3 it will return |
---|
1716 | [sld1, sld2, sld3, radius1, radius2, radius3] |
---|
1717 | """ |
---|
1718 | multi_names = [p.name[:p.name.index('[')] for p in self.model_parameters.iq_parameters if '[' in p.name] |
---|
1719 | top_index = self.kernel_module.multiplicity_info.number |
---|
1720 | shell_names = [] |
---|
1721 | for i in xrange(1, top_index+1): |
---|
1722 | for name in multi_names: |
---|
1723 | shell_names.append(name+str(i)) |
---|
1724 | return shell_names |
---|
1725 | |
---|
1726 | def addCheckedMagneticListToModel(self, param, model): |
---|
1727 | """ |
---|
1728 | Wrapper for model update with a subset of magnetic parameters |
---|
1729 | """ |
---|
1730 | if param.name[param.name.index(':')+1:] in self.shell_names: |
---|
1731 | # check if two-digit shell number |
---|
1732 | try: |
---|
1733 | shell_index = int(param.name[-2:]) |
---|
1734 | except ValueError: |
---|
1735 | shell_index = int(param.name[-1:]) |
---|
1736 | |
---|
1737 | if shell_index > self.current_shell_displayed: |
---|
1738 | return |
---|
1739 | |
---|
1740 | checked_list = [param.name, |
---|
1741 | str(param.default), |
---|
1742 | str(param.limits[0]), |
---|
1743 | str(param.limits[1]), |
---|
1744 | param.units] |
---|
1745 | |
---|
1746 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
1747 | |
---|
1748 | def enableStructureFactorControl(self, structure_factor): |
---|
1749 | """ |
---|
1750 | Add structure factors to the list of parameters |
---|
1751 | """ |
---|
1752 | if self.kernel_module.is_form_factor or structure_factor == 'None': |
---|
1753 | self.enableStructureCombo() |
---|
1754 | else: |
---|
1755 | self.disableStructureCombo() |
---|
1756 | |
---|
1757 | def addExtraShells(self): |
---|
1758 | """ |
---|
1759 | Add a combobox for multiple shell display |
---|
1760 | """ |
---|
1761 | param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters) |
---|
1762 | |
---|
1763 | if param_length == 0: |
---|
1764 | return |
---|
1765 | |
---|
1766 | # cell 1: variable name |
---|
1767 | item1 = QtGui.QStandardItem(param_name) |
---|
1768 | |
---|
1769 | func = QtGui.QComboBox() |
---|
1770 | # Available range of shells displayed in the combobox |
---|
1771 | func.addItems([str(i) for i in xrange(param_length+1)]) |
---|
1772 | |
---|
1773 | # Respond to index change |
---|
1774 | func.currentIndexChanged.connect(self.modifyShellsInList) |
---|
1775 | |
---|
1776 | # cell 2: combobox |
---|
1777 | item2 = QtGui.QStandardItem() |
---|
1778 | self._model_model.appendRow([item1, item2]) |
---|
1779 | |
---|
1780 | # Beautify the row: span columns 2-4 |
---|
1781 | shell_row = self._model_model.rowCount() |
---|
1782 | shell_index = self._model_model.index(shell_row-1, 1) |
---|
1783 | |
---|
1784 | self.lstParams.setIndexWidget(shell_index, func) |
---|
1785 | self._last_model_row = self._model_model.rowCount() |
---|
1786 | |
---|
1787 | # Set the index to the state-kept value |
---|
1788 | func.setCurrentIndex(self.current_shell_displayed |
---|
1789 | if self.current_shell_displayed < func.count() else 0) |
---|
1790 | |
---|
1791 | def modifyShellsInList(self, index): |
---|
1792 | """ |
---|
1793 | Add/remove additional multishell parameters |
---|
1794 | """ |
---|
1795 | # Find row location of the combobox |
---|
1796 | last_row = self._last_model_row |
---|
1797 | remove_rows = self._model_model.rowCount() - last_row |
---|
1798 | |
---|
1799 | if remove_rows > 1: |
---|
1800 | self._model_model.removeRows(last_row, remove_rows) |
---|
1801 | |
---|
1802 | FittingUtilities.addShellsToModel(self.model_parameters, self._model_model, index) |
---|
1803 | self.current_shell_displayed = index |
---|
1804 | |
---|
1805 | # Update relevant models |
---|
1806 | self.setPolyModel() |
---|
1807 | self.setMagneticModel() |
---|
1808 | |
---|
1809 | def readFitPage(self, fp): |
---|
1810 | """ |
---|
1811 | Read in state from a fitpage object and update GUI |
---|
1812 | """ |
---|
1813 | assert isinstance(fp, FitPage) |
---|
1814 | # Main tab info |
---|
1815 | self.logic.data.filename = fp.filename |
---|
1816 | self.data_is_loaded = fp.data_is_loaded |
---|
1817 | self.chkPolydispersity.setCheckState(fp.is_polydisperse) |
---|
1818 | self.chkMagnetism.setCheckState(fp.is_magnetic) |
---|
1819 | self.chk2DView.setCheckState(fp.is2D) |
---|
1820 | |
---|
1821 | # Update the comboboxes |
---|
1822 | self.cbCategory.setCurrentIndex(self.cbCategory.findText(fp.current_category)) |
---|
1823 | self.cbModel.setCurrentIndex(self.cbModel.findText(fp.current_model)) |
---|
1824 | if fp.current_factor: |
---|
1825 | self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(fp.current_factor)) |
---|
1826 | |
---|
1827 | self.chi2 = fp.chi2 |
---|
1828 | |
---|
1829 | # Options tab |
---|
1830 | self.q_range_min = fp.fit_options[fp.MIN_RANGE] |
---|
1831 | self.q_range_max = fp.fit_options[fp.MAX_RANGE] |
---|
1832 | self.npts = fp.fit_options[fp.NPTS] |
---|
1833 | self.log_points = fp.fit_options[fp.LOG_POINTS] |
---|
1834 | self.weighting = fp.fit_options[fp.WEIGHTING] |
---|
1835 | |
---|
1836 | # Models |
---|
1837 | self._model_model = fp.model_model |
---|
1838 | self._poly_model = fp.poly_model |
---|
1839 | self._magnet_model = fp.magnetism_model |
---|
1840 | |
---|
1841 | # Resolution tab |
---|
1842 | smearing = fp.smearing_options[fp.SMEARING_OPTION] |
---|
1843 | accuracy = fp.smearing_options[fp.SMEARING_ACCURACY] |
---|
1844 | smearing_min = fp.smearing_options[fp.SMEARING_MIN] |
---|
1845 | smearing_max = fp.smearing_options[fp.SMEARING_MAX] |
---|
1846 | self.smearing_widget.setState(smearing, accuracy, smearing_min, smearing_max) |
---|
1847 | |
---|
1848 | # TODO: add polidyspersity and magnetism |
---|
1849 | |
---|
1850 | def saveToFitPage(self, fp): |
---|
1851 | """ |
---|
1852 | Write current state to the given fitpage |
---|
1853 | """ |
---|
1854 | assert isinstance(fp, FitPage) |
---|
1855 | |
---|
1856 | # Main tab info |
---|
1857 | fp.filename = self.logic.data.filename |
---|
1858 | fp.data_is_loaded = self.data_is_loaded |
---|
1859 | fp.is_polydisperse = self.chkPolydispersity.isChecked() |
---|
1860 | fp.is_magnetic = self.chkMagnetism.isChecked() |
---|
1861 | fp.is2D = self.chk2DView.isChecked() |
---|
1862 | fp.data = self.data |
---|
1863 | |
---|
1864 | # Use current models - they contain all the required parameters |
---|
1865 | fp.model_model = self._model_model |
---|
1866 | fp.poly_model = self._poly_model |
---|
1867 | fp.magnetism_model = self._magnet_model |
---|
1868 | |
---|
1869 | if self.cbCategory.currentIndex() != 0: |
---|
1870 | fp.current_category = str(self.cbCategory.currentText()) |
---|
1871 | fp.current_model = str(self.cbModel.currentText()) |
---|
1872 | |
---|
1873 | if self.cbStructureFactor.isEnabled() and self.cbStructureFactor.currentIndex() != 0: |
---|
1874 | fp.current_factor = str(self.cbStructureFactor.currentText()) |
---|
1875 | else: |
---|
1876 | fp.current_factor = '' |
---|
1877 | |
---|
1878 | fp.chi2 = self.chi2 |
---|
1879 | fp.parameters_to_fit = self.parameters_to_fit |
---|
1880 | fp.kernel_module = self.kernel_module |
---|
1881 | |
---|
1882 | # Algorithm options |
---|
1883 | # fp.algorithm = self.parent.fit_options.selected_id |
---|
1884 | |
---|
1885 | # Options tab |
---|
1886 | fp.fit_options[fp.MIN_RANGE] = self.q_range_min |
---|
1887 | fp.fit_options[fp.MAX_RANGE] = self.q_range_max |
---|
1888 | fp.fit_options[fp.NPTS] = self.npts |
---|
1889 | #fp.fit_options[fp.NPTS_FIT] = self.npts_fit |
---|
1890 | fp.fit_options[fp.LOG_POINTS] = self.log_points |
---|
1891 | fp.fit_options[fp.WEIGHTING] = self.weighting |
---|
1892 | |
---|
1893 | # Resolution tab |
---|
1894 | smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() |
---|
1895 | fp.smearing_options[fp.SMEARING_OPTION] = smearing |
---|
1896 | fp.smearing_options[fp.SMEARING_ACCURACY] = accuracy |
---|
1897 | fp.smearing_options[fp.SMEARING_MIN] = smearing_min |
---|
1898 | fp.smearing_options[fp.SMEARING_MAX] = smearing_max |
---|
1899 | |
---|
1900 | # TODO: add polidyspersity and magnetism |
---|
1901 | |
---|
1902 | |
---|
1903 | def updateUndo(self): |
---|
1904 | """ |
---|
1905 | Create a new state page and add it to the stack |
---|
1906 | """ |
---|
1907 | if self.undo_supported: |
---|
1908 | self.pushFitPage(self.currentState()) |
---|
1909 | |
---|
1910 | def currentState(self): |
---|
1911 | """ |
---|
1912 | Return fit page with current state |
---|
1913 | """ |
---|
1914 | new_page = FitPage() |
---|
1915 | self.saveToFitPage(new_page) |
---|
1916 | |
---|
1917 | return new_page |
---|
1918 | |
---|
1919 | def pushFitPage(self, new_page): |
---|
1920 | """ |
---|
1921 | Add a new fit page object with current state |
---|
1922 | """ |
---|
1923 | self.page_stack.append(new_page) |
---|
1924 | |
---|
1925 | def popFitPage(self): |
---|
1926 | """ |
---|
1927 | Remove top fit page from stack |
---|
1928 | """ |
---|
1929 | if self.page_stack: |
---|
1930 | self.page_stack.pop() |
---|
1931 | |
---|