1 | import sys |
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2 | import json |
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3 | import os |
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4 | import numpy |
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5 | from collections import defaultdict |
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6 | |
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7 | import logging |
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8 | import traceback |
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9 | from twisted.internet import threads |
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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 | |
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14 | from sasmodels import generate |
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15 | from sasmodels import modelinfo |
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16 | from sasmodels.sasview_model import load_standard_models |
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17 | |
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18 | from sas.sasgui.guiframe.CategoryInstaller import CategoryInstaller |
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19 | from sas.sasgui.guiframe.dataFitting import Data1D |
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20 | from sas.sasgui.guiframe.dataFitting import Data2D |
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21 | import sas.qtgui.GuiUtils as GuiUtils |
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22 | from sas.sasgui.perspectives.fitting.model_thread import Calc1D |
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23 | from sas.sasgui.perspectives.fitting.model_thread import Calc2D |
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24 | |
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25 | from UI.FittingWidgetUI import Ui_FittingWidgetUI |
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26 | from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic |
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27 | from sas.qtgui.Perspectives.Fitting import FittingUtilities |
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28 | |
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29 | TAB_MAGNETISM = 4 |
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30 | TAB_POLY = 3 |
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31 | CATEGORY_DEFAULT = "Choose category..." |
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32 | CATEGORY_STRUCTURE = "Structure Factor" |
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33 | STRUCTURE_DEFAULT = "None" |
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34 | QMIN_DEFAULT = 0.0005 |
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35 | QMAX_DEFAULT = 0.5 |
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36 | NPTS_DEFAULT = 50 |
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37 | |
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38 | class FittingWidget(QtGui.QWidget, Ui_FittingWidgetUI): |
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39 | """ |
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40 | Main widget for selecting form and structure factor models |
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41 | """ |
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42 | def __init__(self, parent=None, data=None, id=1): |
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43 | |
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44 | super(FittingWidget, self).__init__() |
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45 | |
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46 | # Necessary globals |
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47 | self.parent = parent |
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48 | # SasModel is loaded |
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49 | self.model_is_loaded = False |
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50 | # Data[12]D passed and set |
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51 | self.data_is_loaded = False |
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52 | # Current SasModel in view |
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53 | self.kernel_module = None |
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54 | # Current SasModel view dimension |
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55 | self.is2D = False |
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56 | # Current SasModel is multishell |
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57 | self.model_has_shells = False |
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58 | # Utility variable to enable unselectable option in category combobox |
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59 | self._previous_category_index = 0 |
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60 | # Utility variable for multishell display |
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61 | self._last_model_row = 0 |
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62 | # Dictionary of {model name: model class} for the current category |
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63 | self.models = {} |
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64 | |
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65 | # Which tab is this widget displayed in? |
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66 | self.tab_id = id |
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67 | |
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68 | # Which shell is being currently displayed? |
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69 | self.current_shell_displayed = 0 |
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70 | |
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71 | # Range parameters |
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72 | self.q_range_min = QMIN_DEFAULT |
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73 | self.q_range_max = QMAX_DEFAULT |
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74 | self.npts = NPTS_DEFAULT |
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75 | |
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76 | # Main Data[12]D holder |
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77 | self.logic = FittingLogic(data=data) |
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78 | |
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79 | # Main GUI setup up |
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80 | self.setupUi(self) |
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81 | self.setWindowTitle("Fitting") |
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82 | self.communicate = self.parent.communicate |
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83 | |
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84 | # Define bold font for use in various controls |
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85 | self.boldFont=QtGui.QFont() |
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86 | self.boldFont.setBold(True) |
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87 | |
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88 | # Set data label |
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89 | self.label.setFont(self.boldFont) |
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90 | self.label.setText("No data loaded") |
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91 | self.lblFilename.setText("") |
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92 | |
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93 | # Set the main models |
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94 | # We can't use a single model here, due to restrictions on flattening |
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95 | # the model tree with subclassed QAbstractProxyModel... |
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96 | self._model_model = QtGui.QStandardItemModel() |
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97 | self._poly_model = QtGui.QStandardItemModel() |
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98 | self._magnet_model = QtGui.QStandardItemModel() |
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99 | |
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100 | # Param model displayed in param list |
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101 | self.lstParams.setModel(self._model_model) |
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102 | self.readCategoryInfo() |
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103 | self.model_parameters = None |
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104 | self.lstParams.setAlternatingRowColors(True) |
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105 | |
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106 | # Poly model displayed in poly list |
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107 | self.lstPoly.setModel(self._poly_model) |
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108 | self.setPolyModel() |
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109 | self.setTableProperties(self.lstPoly) |
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110 | |
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111 | # Magnetism model displayed in magnetism list |
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112 | self.lstMagnetic.setModel(self._magnet_model) |
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113 | self.setMagneticModel() |
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114 | self.setTableProperties(self.lstMagnetic) |
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115 | |
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116 | # Defaults for the structure factors |
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117 | self.setDefaultStructureCombo() |
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118 | |
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119 | # Make structure factor and model CBs disabled |
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120 | self.disableModelCombo() |
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121 | self.disableStructureCombo() |
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122 | |
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123 | # Generate the category list for display |
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124 | category_list = sorted(self.master_category_dict.keys()) |
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125 | self.cbCategory.addItem(CATEGORY_DEFAULT) |
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126 | self.cbCategory.addItems(category_list) |
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127 | self.cbCategory.addItem(CATEGORY_STRUCTURE) |
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128 | self.cbCategory.setCurrentIndex(0) |
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129 | |
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130 | self._index = None |
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131 | if data is not None: |
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132 | self.data = data |
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133 | |
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134 | # Connect signals to controls |
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135 | self.initializeSignals() |
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136 | |
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137 | # Initial control state |
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138 | self.initializeControls() |
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139 | |
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140 | @property |
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141 | def data(self): |
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142 | return self.logic.data |
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143 | |
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144 | @data.setter |
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145 | def data(self, value): |
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146 | """ data setter """ |
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147 | assert isinstance(value[0], QtGui.QStandardItem) |
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148 | # _index contains the QIndex with data |
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149 | self._index = value[0] |
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150 | |
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151 | # Update logics with data items |
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152 | self.logic.data = GuiUtils.dataFromItem(value[0]) |
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153 | |
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154 | self.data_is_loaded = True |
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155 | # Tag along functionality |
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156 | self.label.setText("Data loaded from: ") |
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157 | self.lblFilename.setText(self.logic.data.filename) |
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158 | self.updateQRange() |
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159 | self.cmdFit.setEnabled(True) |
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160 | |
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161 | def acceptsData(self): |
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162 | """ Tells the caller this widget can accept new dataset """ |
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163 | return not self.data_is_loaded |
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164 | |
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165 | def disableModelCombo(self): |
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166 | """ Disable the combobox """ |
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167 | self.cbModel.setEnabled(False) |
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168 | self.lblModel.setEnabled(False) |
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169 | |
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170 | def enableModelCombo(self): |
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171 | """ Enable the combobox """ |
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172 | self.cbModel.setEnabled(True) |
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173 | self.lblModel.setEnabled(True) |
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174 | |
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175 | def disableStructureCombo(self): |
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176 | """ Disable the combobox """ |
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177 | self.cbStructureFactor.setEnabled(False) |
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178 | self.lblStructure.setEnabled(False) |
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179 | |
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180 | def enableStructureCombo(self): |
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181 | """ Enable the combobox """ |
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182 | self.cbStructureFactor.setEnabled(True) |
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183 | self.lblStructure.setEnabled(True) |
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184 | |
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185 | def updateQRange(self): |
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186 | """ |
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187 | Updates Q Range display |
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188 | """ |
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189 | if self.data_is_loaded: |
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190 | self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange() |
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191 | # set Q range labels on the main tab |
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192 | self.lblMinRangeDef.setText(str(self.q_range_min)) |
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193 | self.lblMaxRangeDef.setText(str(self.q_range_max)) |
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194 | # set Q range labels on the options tab |
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195 | self.txtMaxRange.setText(str(self.q_range_max)) |
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196 | self.txtMinRange.setText(str(self.q_range_min)) |
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197 | self.txtNpts.setText(str(self.npts)) |
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198 | |
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199 | def initializeControls(self): |
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200 | """ |
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201 | Set initial control enablement |
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202 | """ |
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203 | self.cmdFit.setEnabled(False) |
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204 | self.cmdPlot.setEnabled(True) |
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205 | self.chkPolydispersity.setEnabled(True) |
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206 | self.chkPolydispersity.setCheckState(False) |
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207 | self.chk2DView.setEnabled(True) |
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208 | self.chk2DView.setCheckState(False) |
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209 | self.chkMagnetism.setEnabled(False) |
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210 | self.chkMagnetism.setCheckState(False) |
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211 | # Tabs |
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212 | self.tabFitting.setTabEnabled(TAB_POLY, False) |
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213 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, False) |
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214 | self.lblChi2Value.setText("---") |
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215 | # Update Q Ranges |
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216 | self.updateQRange() |
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217 | |
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218 | def initializeSignals(self): |
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219 | """ |
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220 | Connect GUI element signals |
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221 | """ |
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222 | # Comboboxes |
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223 | self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor) |
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224 | self.cbCategory.currentIndexChanged.connect(self.onSelectCategory) |
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225 | self.cbModel.currentIndexChanged.connect(self.onSelectModel) |
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226 | # Checkboxes |
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227 | self.chk2DView.toggled.connect(self.toggle2D) |
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228 | self.chkPolydispersity.toggled.connect(self.togglePoly) |
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229 | self.chkMagnetism.toggled.connect(self.toggleMagnetism) |
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230 | # Buttons |
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231 | self.cmdFit.clicked.connect(self.onFit) |
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232 | self.cmdPlot.clicked.connect(self.onPlot) |
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233 | # Line edits |
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234 | self.txtNpts.textChanged.connect(self.onNpts) |
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235 | self.txtMinRange.textChanged.connect(self.onMinRange) |
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236 | self.txtMaxRange.textChanged.connect(self.onMaxRange) |
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237 | |
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238 | # Respond to change in parameters from the UI |
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239 | self._model_model.itemChanged.connect(self.updateParamsFromModel) |
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240 | self._poly_model.itemChanged.connect(self.onPolyModelChange) |
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241 | # TODO after the poly_model prototype accepted |
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242 | #self._magnet_model.itemChanged.connect(self.onMagneticModelChange) |
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243 | |
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244 | def setDefaultStructureCombo(self): |
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245 | """ |
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246 | Fill in the structure factors combo box with defaults |
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247 | """ |
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248 | structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE) |
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249 | factors = [factor[0] for factor in structure_factor_list] |
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250 | factors.insert(0, STRUCTURE_DEFAULT) |
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251 | self.cbStructureFactor.clear() |
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252 | self.cbStructureFactor.addItems(sorted(factors)) |
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253 | |
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254 | def onSelectCategory(self): |
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255 | """ |
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256 | Select Category from list |
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257 | """ |
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258 | category = str(self.cbCategory.currentText()) |
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259 | # Check if the user chose "Choose category entry" |
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260 | if category == CATEGORY_DEFAULT: |
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261 | # if the previous category was not the default, keep it. |
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262 | # Otherwise, just return |
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263 | if self._previous_category_index != 0: |
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264 | # We need to block signals, or else state changes on perceived unchanged conditions |
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265 | self.cbCategory.blockSignals(True) |
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266 | self.cbCategory.setCurrentIndex(self._previous_category_index) |
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267 | self.cbCategory.blockSignals(False) |
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268 | return |
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269 | |
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270 | if category == CATEGORY_STRUCTURE: |
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271 | self.disableModelCombo() |
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272 | self.enableStructureCombo() |
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273 | self._model_model.clear() |
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274 | return |
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275 | |
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276 | # Safely clear and enable the model combo |
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277 | self.cbModel.blockSignals(True) |
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278 | self.cbModel.clear() |
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279 | self.cbModel.blockSignals(False) |
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280 | self.enableModelCombo() |
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281 | self.disableStructureCombo() |
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282 | |
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283 | self._previous_category_index = self.cbCategory.currentIndex() |
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284 | # Retrieve the list of models |
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285 | model_list = self.master_category_dict[category] |
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286 | models = [] |
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287 | # Populate the models combobox |
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288 | self.cbModel.addItems(sorted([model for (model, _) in model_list])) |
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289 | |
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290 | def createDefaultDataset(self): |
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291 | """ |
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292 | Generate default Dataset 1D/2D for the given model |
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293 | """ |
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294 | # Create default datasets if no data passed |
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295 | if self.is2D: |
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296 | qmax = self.q_range_max/numpy.sqrt(2) |
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297 | qstep = self.npts |
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298 | self.logic.createDefault2dData(qmax, qstep, self.tab_id) |
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299 | else: |
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300 | interval = numpy.linspace(start=self.q_range_min, stop=self.q_range_max, |
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301 | num=self.npts, endpoint=True) |
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302 | self.logic.createDefault1dData(interval, self.tab_id) |
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303 | |
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304 | def onSelectModel(self): |
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305 | """ |
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306 | Respond to select Model from list event |
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307 | """ |
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308 | model = str(self.cbModel.currentText()) |
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309 | |
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310 | # Reset structure factor |
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311 | self.cbStructureFactor.setCurrentIndex(0) |
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312 | |
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313 | # SasModel -> QModel |
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314 | self.SASModelToQModel(model) |
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315 | |
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316 | if self.data_is_loaded: |
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317 | self.calculateQGridForModel() |
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318 | else: |
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319 | # Create default datasets if no data passed |
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320 | self.createDefaultDataset() |
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321 | |
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322 | def onSelectStructureFactor(self): |
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323 | """ |
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324 | Select Structure Factor from list |
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325 | """ |
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326 | model = str(self.cbModel.currentText()) |
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327 | category = str(self.cbCategory.currentText()) |
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328 | structure = str(self.cbStructureFactor.currentText()) |
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329 | if category == CATEGORY_STRUCTURE: |
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330 | model = None |
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331 | self.SASModelToQModel(model, structure_factor=structure) |
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332 | |
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333 | def readCategoryInfo(self): |
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334 | """ |
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335 | Reads the categories in from file |
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336 | """ |
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337 | self.master_category_dict = defaultdict(list) |
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338 | self.by_model_dict = defaultdict(list) |
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339 | self.model_enabled_dict = defaultdict(bool) |
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340 | |
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341 | categorization_file = CategoryInstaller.get_user_file() |
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342 | if not os.path.isfile(categorization_file): |
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343 | categorization_file = CategoryInstaller.get_default_file() |
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344 | with open(categorization_file, 'rb') as cat_file: |
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345 | self.master_category_dict = json.load(cat_file) |
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346 | self.regenerateModelDict() |
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347 | |
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348 | # Load the model dict |
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349 | models = load_standard_models() |
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350 | for model in models: |
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351 | self.models[model.name] = model |
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352 | |
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353 | def regenerateModelDict(self): |
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354 | """ |
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355 | Regenerates self.by_model_dict which has each model name as the |
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356 | key and the list of categories belonging to that model |
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357 | along with the enabled mapping |
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358 | """ |
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359 | self.by_model_dict = defaultdict(list) |
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360 | for category in self.master_category_dict: |
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361 | for (model, enabled) in self.master_category_dict[category]: |
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362 | self.by_model_dict[model].append(category) |
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363 | self.model_enabled_dict[model] = enabled |
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364 | |
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365 | def addBackgroundToModel(self, model): |
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366 | """ |
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367 | Adds background parameter with default values to the model |
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368 | """ |
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369 | assert isinstance(model, QtGui.QStandardItemModel) |
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370 | checked_list = ['background', '0.001', '-inf', 'inf', '1/cm'] |
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371 | FittingUtilities.addCheckedListToModel(model, checked_list) |
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372 | |
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373 | def addScaleToModel(self, model): |
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374 | """ |
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375 | Adds scale parameter with default values to the model |
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376 | """ |
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377 | assert isinstance(model, QtGui.QStandardItemModel) |
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378 | checked_list = ['scale', '1.0', '0.0', 'inf', ''] |
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379 | FittingUtilities.addCheckedListToModel(model, checked_list) |
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380 | |
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381 | def SASModelToQModel(self, model_name, structure_factor=None): |
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382 | """ |
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383 | Setting model parameters into table based on selected category |
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384 | """ |
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385 | # TODO - modify for structure factor-only choice |
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386 | |
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387 | # Crete/overwrite model items |
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388 | self._model_model.clear() |
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389 | |
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390 | kernel_module = generate.load_kernel_module(model_name) |
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391 | self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', [])) |
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392 | |
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393 | # Instantiate the current sasmodel |
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394 | self.kernel_module = self.models[model_name]() |
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395 | |
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396 | # Explicitly add scale and background with default values |
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397 | self.addScaleToModel(self._model_model) |
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398 | self.addBackgroundToModel(self._model_model) |
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399 | |
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400 | # Update the QModel |
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401 | FittingUtilities.addParametersToModel(self.model_parameters, self._model_model) |
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402 | # Update the counter used for multishell display |
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403 | self._last_model_row = self._model_model.rowCount() |
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404 | |
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405 | FittingUtilities.addHeadersToModel(self._model_model) |
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406 | |
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407 | # Add structure factor |
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408 | if structure_factor is not None and structure_factor != "None": |
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409 | structure_module = generate.load_kernel_module(structure_factor) |
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410 | structure_parameters = modelinfo.make_parameter_table(getattr(structure_module, 'parameters', [])) |
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411 | FittingUtilities.addSimpleParametersToModel(structure_parameters, self._model_model) |
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412 | # Update the counter used for multishell display |
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413 | self._last_model_row = self._model_model.rowCount() |
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414 | else: |
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415 | self.addStructureFactor() |
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416 | |
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417 | # Multishell models need additional treatment |
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418 | self.addExtraShells() |
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419 | |
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420 | # Add polydispersity to the model |
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421 | self.setPolyModel() |
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422 | # Add magnetic parameters to the model |
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423 | self.setMagneticModel() |
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424 | |
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425 | # Adjust the table cells width |
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426 | self.lstParams.resizeColumnToContents(0) |
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427 | self.lstParams.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
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428 | |
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429 | # Now we claim the model has been loaded |
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430 | self.model_is_loaded = True |
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431 | |
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432 | # Update Q Ranges |
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433 | self.updateQRange() |
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434 | |
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435 | def onPolyModelChange(self, item): |
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436 | """ |
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437 | Callback method for updating the main model and sasmodel |
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438 | parameters with the GUI values in the polydispersity view |
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439 | """ |
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440 | model_column = item.column() |
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441 | model_row = item.row() |
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442 | name_index = self._poly_model.index(model_row, 0) |
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443 | # Extract changed value. Assumes proper validation by QValidator/Delegate |
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444 | # Checkbox in column 0 |
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445 | if model_column == 0: |
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446 | value = item.checkState() |
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447 | else: |
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448 | try: |
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449 | value = float(item.text()) |
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450 | except ValueError: |
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451 | # Can't be converted properly, bring back the old value and exit |
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452 | return |
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453 | |
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454 | parameter_name = str(self._poly_model.data(name_index).toPyObject()) # "distribution of sld" etc. |
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455 | if "Distribution of" in parameter_name: |
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456 | parameter_name = parameter_name[16:] |
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457 | property_name = str(self._poly_model.headerData(model_column, 1).toPyObject()) # Value, min, max, etc. |
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458 | # print "%s(%s) => %d" % (parameter_name, property_name, value) |
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459 | |
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460 | # Update the sasmodel |
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461 | #self.kernel_module.params[parameter_name] = value |
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462 | |
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463 | # Reload the main model - may not be required if no variable is shown in main view |
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464 | #model = str(self.cbModel.currentText()) |
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465 | #self.SASModelToQModel(model) |
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466 | |
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467 | pass # debug anchor |
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468 | |
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469 | def updateParamsFromModel(self, item): |
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470 | """ |
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471 | Callback method for updating the sasmodel parameters with the GUI values |
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472 | """ |
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473 | model_column = item.column() |
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474 | model_row = item.row() |
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475 | name_index = self._model_model.index(model_row, 0) |
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476 | |
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477 | if model_column == 0: |
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478 | # Assure we're dealing with checkboxes |
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479 | if not item.isCheckable(): |
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480 | return |
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481 | status = item.checkState() |
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482 | # If multiple rows selected - toggle all of them |
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483 | rows = [s.row() for s in self.lstParams.selectionModel().selectedRows()] |
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484 | |
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485 | # Switch off signaling from the model to avoid multiple calls |
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486 | self._model_model.blockSignals(True) |
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487 | # Convert to proper indices and set requested enablement |
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488 | items = [self._model_model.item(row, 0).setCheckState(status) for row in rows] |
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489 | self._model_model.blockSignals(False) |
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490 | return |
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491 | |
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492 | # Extract changed value. Assumes proper validation by QValidator/Delegate |
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493 | value = float(item.text()) |
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494 | parameter_name = str(self._model_model.data(name_index).toPyObject()) # sld, background etc. |
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495 | property_name = str(self._model_model.headerData(1, model_column).toPyObject()) # Value, min, max, etc. |
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496 | |
---|
497 | # print "%s(%s) => %d" % (parameter_name, property_name, value) |
---|
498 | self.kernel_module.params[parameter_name] = value |
---|
499 | |
---|
500 | # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf] |
---|
501 | |
---|
502 | # magnetic params in self.kernel_module.details['M0:parameter_name'] = value |
---|
503 | # multishell params in self.kernel_module.details[??] = value |
---|
504 | |
---|
505 | def nameForFittedData(self, name): |
---|
506 | """ |
---|
507 | Generate name for the current fit |
---|
508 | """ |
---|
509 | if self.is2D: |
---|
510 | name += "2d" |
---|
511 | name = "M%i [%s]" % (self.tab_id, name) |
---|
512 | return name |
---|
513 | |
---|
514 | def createNewIndex(self, fitted_data): |
---|
515 | """ |
---|
516 | Create a model or theory index with passed Data1D/Data2D |
---|
517 | """ |
---|
518 | if self.data_is_loaded: |
---|
519 | self.updateModelIndex(fitted_data) |
---|
520 | else: |
---|
521 | self.createTheoryIndex(fitted_data) |
---|
522 | |
---|
523 | def updateModelIndex(self, fitted_data): |
---|
524 | """ |
---|
525 | Update a QStandardModelIndex containing model data |
---|
526 | """ |
---|
527 | name = self.nameForFittedData(self.logic.data.filename) |
---|
528 | fitted_data.title = name |
---|
529 | fitted_data.name = name |
---|
530 | # Make this a line |
---|
531 | fitted_data.symbol = 'Line' |
---|
532 | # Notify the GUI manager so it can update the main model in DataExplorer |
---|
533 | GuiUtils.updateModelItemWithPlot(self._index, QtCore.QVariant(fitted_data), name) |
---|
534 | |
---|
535 | def createTheoryIndex(self, fitted_data): |
---|
536 | """ |
---|
537 | Create a QStandardModelIndex containing model data |
---|
538 | """ |
---|
539 | name = self.nameForFittedData(self.kernel_module.name) |
---|
540 | fitted_data.title = name |
---|
541 | fitted_data.name = name |
---|
542 | fitted_data.filename = name |
---|
543 | # Notify the GUI manager so it can create the theory model in DataExplorer |
---|
544 | new_item = GuiUtils.createModelItemWithPlot(QtCore.QVariant(fitted_data), name=name) |
---|
545 | self.communicate.updateTheoryFromPerspectiveSignal.emit(new_item) |
---|
546 | |
---|
547 | def onFit(self): |
---|
548 | """ |
---|
549 | Perform fitting on the current data |
---|
550 | """ |
---|
551 | # TODO: everything here |
---|
552 | #self.calculate1DForModel() |
---|
553 | pass |
---|
554 | |
---|
555 | def onPlot(self): |
---|
556 | """ |
---|
557 | Plot the current set of data |
---|
558 | """ |
---|
559 | if self.data is None :#or not self.data.is_data: |
---|
560 | self.createDefaultDataset() |
---|
561 | self.calculateQGridForModel() |
---|
562 | |
---|
563 | def onNpts(self, text): |
---|
564 | """ |
---|
565 | Callback for number of points line edit update |
---|
566 | """ |
---|
567 | # assumes type/value correctness achieved with QValidator |
---|
568 | try: |
---|
569 | self.npts = int(text) |
---|
570 | except ValueError: |
---|
571 | # TODO |
---|
572 | # This will return the old value to model/view and return |
---|
573 | # notifying the user about format available. |
---|
574 | pass |
---|
575 | |
---|
576 | def onMinRange(self, text): |
---|
577 | """ |
---|
578 | Callback for minimum range of points line edit update |
---|
579 | """ |
---|
580 | # assumes type/value correctness achieved with QValidator |
---|
581 | try: |
---|
582 | self.q_range_min = float(text) |
---|
583 | except ValueError: |
---|
584 | # TODO |
---|
585 | # This will return the old value to model/view and return |
---|
586 | # notifying the user about format available. |
---|
587 | return |
---|
588 | # set Q range labels on the main tab |
---|
589 | self.lblMinRangeDef.setText(str(self.q_range_min)) |
---|
590 | |
---|
591 | def onMaxRange(self, text): |
---|
592 | """ |
---|
593 | Callback for maximum range of points line edit update |
---|
594 | """ |
---|
595 | # assumes type/value correctness achieved with QValidator |
---|
596 | try: |
---|
597 | self.q_range_max = float(text) |
---|
598 | except: |
---|
599 | pass |
---|
600 | # set Q range labels on the main tab |
---|
601 | self.lblMaxRangeDef.setText(str(self.q_range_max)) |
---|
602 | |
---|
603 | def methodCalculateForData(self): |
---|
604 | '''return the method for data calculation''' |
---|
605 | return Calc1D if isinstance(self.data, Data1D) else Calc2D |
---|
606 | |
---|
607 | def methodCompleteForData(self): |
---|
608 | '''return the method for result parsin on calc complete ''' |
---|
609 | return self.complete1D if isinstance(self.data, Data1D) else self.complete2D |
---|
610 | |
---|
611 | def calculateQGridForModel(self): |
---|
612 | """ |
---|
613 | Prepare the fitting data object, based on current ModelModel |
---|
614 | """ |
---|
615 | # Awful API to a backend method. |
---|
616 | method = self.methodCalculateForData()(data=self.data, |
---|
617 | model=self.kernel_module, |
---|
618 | page_id=0, |
---|
619 | qmin=self.q_range_min, |
---|
620 | qmax=self.q_range_max, |
---|
621 | smearer=None, |
---|
622 | state=None, |
---|
623 | weight=None, |
---|
624 | fid=None, |
---|
625 | toggle_mode_on=False, |
---|
626 | completefn=None, |
---|
627 | update_chisqr=True, |
---|
628 | exception_handler=self.calcException, |
---|
629 | source=None) |
---|
630 | |
---|
631 | calc_thread = threads.deferToThread(method.compute) |
---|
632 | calc_thread.addCallback(self.methodCompleteForData()) |
---|
633 | |
---|
634 | def complete1D(self, return_data): |
---|
635 | """ |
---|
636 | Plot the current 1D data |
---|
637 | """ |
---|
638 | fitted_data = self.logic.new1DPlot(return_data) |
---|
639 | self.calculateResiduals(self.logic.new1DPlot(return_data)) |
---|
640 | |
---|
641 | def complete2D(self, return_data): |
---|
642 | """ |
---|
643 | Plot the current 2D data |
---|
644 | """ |
---|
645 | fitted_data = self.logic.new2DPlot(return_data) |
---|
646 | self.calculateResiduals(fitted_data) |
---|
647 | |
---|
648 | def calculateResiduals(self, fitted_data): |
---|
649 | """ |
---|
650 | Calculate and print Chi2 and display chart of residuals |
---|
651 | """ |
---|
652 | # Create a new index for holding data |
---|
653 | self.createNewIndex(fitted_data) |
---|
654 | # Calculate difference between return_data and logic.data |
---|
655 | chi2 = FittingUtilities.calculateChi2(fitted_data, self.logic.data) |
---|
656 | # Update the control |
---|
657 | self.lblChi2Value.setText(GuiUtils.formatNumber(chi2, high=True)) |
---|
658 | |
---|
659 | # TODO: plot residuals |
---|
660 | #self._plot_residuals(page_id=page_id, data=current_data, |
---|
661 | # fid=fid, |
---|
662 | # weight=weight, index=index) |
---|
663 | |
---|
664 | def calcException(self, etype, value, tb): |
---|
665 | """ |
---|
666 | Something horrible happened in the deferred. |
---|
667 | """ |
---|
668 | logging.error("".join(traceback.format_exception(etype, value, tb))) |
---|
669 | |
---|
670 | def setTableProperties(self, table): |
---|
671 | """ |
---|
672 | Setting table properties |
---|
673 | """ |
---|
674 | # Table properties |
---|
675 | table.verticalHeader().setVisible(False) |
---|
676 | table.setAlternatingRowColors(True) |
---|
677 | table.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
---|
678 | table.setSelectionBehavior(QtGui.QAbstractItemView.SelectRows) |
---|
679 | table.resizeColumnsToContents() |
---|
680 | |
---|
681 | # Header |
---|
682 | header = table.horizontalHeader() |
---|
683 | header.setResizeMode(QtGui.QHeaderView.ResizeToContents) |
---|
684 | |
---|
685 | header.ResizeMode(QtGui.QHeaderView.Interactive) |
---|
686 | # Resize column 0 and 6 to content |
---|
687 | header.setResizeMode(0, QtGui.QHeaderView.ResizeToContents) |
---|
688 | header.setResizeMode(6, QtGui.QHeaderView.ResizeToContents) |
---|
689 | |
---|
690 | def setPolyModel(self): |
---|
691 | """ |
---|
692 | Set polydispersity values |
---|
693 | """ |
---|
694 | if not self.model_parameters: |
---|
695 | return |
---|
696 | self._poly_model.clear() |
---|
697 | for row, param in enumerate(self.model_parameters.form_volume_parameters): |
---|
698 | # Counters should not be included |
---|
699 | if not param.polydisperse: |
---|
700 | continue |
---|
701 | |
---|
702 | # Potential multishell params |
---|
703 | checked_list = ["Distribution of "+param.name, str(param.default), |
---|
704 | str(param.limits[0]), str(param.limits[1]), |
---|
705 | "35", "3", ""] |
---|
706 | FittingUtilities.addCheckedListToModel(self._poly_model, checked_list) |
---|
707 | |
---|
708 | #TODO: Need to find cleaner way to input functions |
---|
709 | func = QtGui.QComboBox() |
---|
710 | func.addItems(['rectangle', 'array', 'lognormal', 'gaussian', 'schulz',]) |
---|
711 | func_index = self.lstPoly.model().index(row, 6) |
---|
712 | self.lstPoly.setIndexWidget(func_index, func) |
---|
713 | |
---|
714 | FittingUtilities.addPolyHeadersToModel(self._poly_model) |
---|
715 | |
---|
716 | def setMagneticModel(self): |
---|
717 | """ |
---|
718 | Set magnetism values on model |
---|
719 | """ |
---|
720 | if not self.model_parameters: |
---|
721 | return |
---|
722 | self._magnet_model.clear() |
---|
723 | for param in self.model_parameters.call_parameters: |
---|
724 | if param.type != "magnetic": |
---|
725 | continue |
---|
726 | checked_list = [param.name, |
---|
727 | str(param.default), |
---|
728 | str(param.limits[0]), |
---|
729 | str(param.limits[1]), |
---|
730 | param.units] |
---|
731 | FittingUtilities.addCheckedListToModel(self._magnet_model, checked_list) |
---|
732 | |
---|
733 | FittingUtilities.addHeadersToModel(self._magnet_model) |
---|
734 | |
---|
735 | def addStructureFactor(self): |
---|
736 | """ |
---|
737 | Add structure factors to the list of parameters |
---|
738 | """ |
---|
739 | if self.kernel_module.is_form_factor: |
---|
740 | self.enableStructureCombo() |
---|
741 | else: |
---|
742 | self.disableStructureCombo() |
---|
743 | |
---|
744 | def addExtraShells(self): |
---|
745 | """ |
---|
746 | Add a combobox for multiple shell display |
---|
747 | """ |
---|
748 | param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters) |
---|
749 | |
---|
750 | if param_length == 0: |
---|
751 | return |
---|
752 | |
---|
753 | # cell 1: variable name |
---|
754 | item1 = QtGui.QStandardItem(param_name) |
---|
755 | |
---|
756 | func = QtGui.QComboBox() |
---|
757 | # Available range of shells displayed in the combobox |
---|
758 | func.addItems([str(i) for i in xrange(param_length+1)]) |
---|
759 | |
---|
760 | # Respond to index change |
---|
761 | func.currentIndexChanged.connect(self.modifyShellsInList) |
---|
762 | |
---|
763 | # cell 2: combobox |
---|
764 | item2 = QtGui.QStandardItem() |
---|
765 | self._model_model.appendRow([item1, item2]) |
---|
766 | |
---|
767 | # Beautify the row: span columns 2-4 |
---|
768 | shell_row = self._model_model.rowCount() |
---|
769 | shell_index = self._model_model.index(shell_row-1, 1) |
---|
770 | |
---|
771 | self.lstParams.setIndexWidget(shell_index, func) |
---|
772 | self._last_model_row = self._model_model.rowCount() |
---|
773 | |
---|
774 | # Set the index to the state-kept value |
---|
775 | func.setCurrentIndex(self.current_shell_displayed |
---|
776 | if self.current_shell_displayed < func.count() else 0) |
---|
777 | |
---|
778 | def modifyShellsInList(self, index): |
---|
779 | """ |
---|
780 | Add/remove additional multishell parameters |
---|
781 | """ |
---|
782 | # Find row location of the combobox |
---|
783 | last_row = self._last_model_row |
---|
784 | remove_rows = self._model_model.rowCount() - last_row |
---|
785 | |
---|
786 | if remove_rows > 1: |
---|
787 | self._model_model.removeRows(last_row, remove_rows) |
---|
788 | |
---|
789 | FittingUtilities.addShellsToModel(self.model_parameters, self._model_model, index) |
---|
790 | self.current_shell_displayed = index |
---|
791 | |
---|
792 | def togglePoly(self, isChecked): |
---|
793 | """ |
---|
794 | Enable/disable the polydispersity tab |
---|
795 | """ |
---|
796 | self.tabFitting.setTabEnabled(TAB_POLY, isChecked) |
---|
797 | |
---|
798 | def toggleMagnetism(self, isChecked): |
---|
799 | """ |
---|
800 | Enable/disable the magnetism tab |
---|
801 | """ |
---|
802 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked) |
---|
803 | |
---|
804 | def toggle2D(self, isChecked): |
---|
805 | """ |
---|
806 | Enable/disable the controls dependent on 1D/2D data instance |
---|
807 | """ |
---|
808 | self.chkMagnetism.setEnabled(isChecked) |
---|
809 | self.is2D = isChecked |
---|
810 | |
---|