1 | import json |
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2 | import os |
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3 | import sys |
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4 | from collections import defaultdict |
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5 | |
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6 | import copy |
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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 | import numpy as np |
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11 | import webbrowser |
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12 | |
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13 | from PyQt5 import QtCore |
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14 | from PyQt5 import QtGui |
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15 | from PyQt5 import QtWidgets |
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16 | |
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17 | from sasmodels import generate |
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18 | from sasmodels import modelinfo |
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19 | from sasmodels.sasview_model import load_standard_models |
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20 | from sasmodels.sasview_model import MultiplicationModel |
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21 | from sasmodels.weights import MODELS as POLYDISPERSITY_MODELS |
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22 | |
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23 | from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit |
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24 | from sas.sascalc.fit.pagestate import PageState |
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25 | |
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26 | import sas.qtgui.Utilities.GuiUtils as GuiUtils |
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27 | import sas.qtgui.Utilities.LocalConfig as LocalConfig |
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28 | from sas.qtgui.Utilities.CategoryInstaller import CategoryInstaller |
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29 | from sas.qtgui.Plotting.PlotterData import Data1D |
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30 | from sas.qtgui.Plotting.PlotterData import Data2D |
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31 | from sas.qtgui.Plotting.Plotter import PlotterWidget |
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32 | |
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33 | from sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI import Ui_FittingWidgetUI |
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34 | from sas.qtgui.Perspectives.Fitting.FitThread import FitThread |
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35 | from sas.qtgui.Perspectives.Fitting.ConsoleUpdate import ConsoleUpdate |
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36 | |
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37 | from sas.qtgui.Perspectives.Fitting.ModelThread import Calc1D |
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38 | from sas.qtgui.Perspectives.Fitting.ModelThread import Calc2D |
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39 | from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic |
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40 | from sas.qtgui.Perspectives.Fitting import FittingUtilities |
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41 | from sas.qtgui.Perspectives.Fitting import ModelUtilities |
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42 | from sas.qtgui.Perspectives.Fitting.SmearingWidget import SmearingWidget |
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43 | from sas.qtgui.Perspectives.Fitting.OptionsWidget import OptionsWidget |
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44 | from sas.qtgui.Perspectives.Fitting.FitPage import FitPage |
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45 | from sas.qtgui.Perspectives.Fitting.ViewDelegate import ModelViewDelegate |
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46 | from sas.qtgui.Perspectives.Fitting.ViewDelegate import PolyViewDelegate |
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47 | from sas.qtgui.Perspectives.Fitting.ViewDelegate import MagnetismViewDelegate |
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48 | from sas.qtgui.Perspectives.Fitting.Constraint import Constraint |
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49 | from sas.qtgui.Perspectives.Fitting.MultiConstraint import MultiConstraint |
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50 | from sas.qtgui.Perspectives.Fitting.ReportPageLogic import ReportPageLogic |
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51 | |
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52 | TAB_MAGNETISM = 4 |
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53 | TAB_POLY = 3 |
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54 | CATEGORY_DEFAULT = "Choose category..." |
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55 | MODEL_DEFAULT = "Choose model..." |
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56 | CATEGORY_STRUCTURE = "Structure Factor" |
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57 | CATEGORY_CUSTOM = "Plugin Models" |
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58 | STRUCTURE_DEFAULT = "None" |
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59 | |
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60 | DEFAULT_POLYDISP_FUNCTION = 'gaussian' |
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61 | |
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62 | # CRUFT: remove when new release of sasmodels is available |
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63 | # https://github.com/SasView/sasview/pull/181#discussion_r218135162 |
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64 | from sasmodels.sasview_model import SasviewModel |
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65 | if not hasattr(SasviewModel, 'get_weights'): |
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66 | def get_weights(self, name): |
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67 | """ |
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68 | Returns the polydispersity distribution for parameter *name* as *value* and *weight* arrays. |
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69 | """ |
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70 | # type: (str) -> Tuple(np.ndarray, np.ndarray) |
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71 | _, x, w = self._get_weights(self._model_info.parameters[name]) |
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72 | return x, w |
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73 | |
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74 | SasviewModel.get_weights = get_weights |
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75 | |
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76 | logger = logging.getLogger(__name__) |
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77 | |
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78 | class ToolTippedItemModel(QtGui.QStandardItemModel): |
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79 | """ |
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80 | Subclass from QStandardItemModel to allow displaying tooltips in |
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81 | QTableView model. |
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82 | """ |
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83 | def __init__(self, parent=None): |
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84 | QtGui.QStandardItemModel.__init__(self, parent) |
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85 | |
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86 | def headerData(self, section, orientation, role=QtCore.Qt.DisplayRole): |
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87 | """ |
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88 | Displays tooltip for each column's header |
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89 | :param section: |
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90 | :param orientation: |
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91 | :param role: |
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92 | :return: |
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93 | """ |
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94 | if role == QtCore.Qt.ToolTipRole: |
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95 | if orientation == QtCore.Qt.Horizontal: |
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96 | return str(self.header_tooltips[section]) |
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97 | |
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98 | return QtGui.QStandardItemModel.headerData(self, section, orientation, role) |
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99 | |
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100 | class FittingWidget(QtWidgets.QWidget, Ui_FittingWidgetUI): |
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101 | """ |
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102 | Main widget for selecting form and structure factor models |
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103 | """ |
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104 | constraintAddedSignal = QtCore.pyqtSignal(list) |
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105 | newModelSignal = QtCore.pyqtSignal() |
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106 | fittingFinishedSignal = QtCore.pyqtSignal(tuple) |
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107 | batchFittingFinishedSignal = QtCore.pyqtSignal(tuple) |
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108 | Calc1DFinishedSignal = QtCore.pyqtSignal(dict) |
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109 | Calc2DFinishedSignal = QtCore.pyqtSignal(dict) |
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110 | |
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111 | MAGNETIC_MODELS = ['sphere', 'core_shell_sphere', 'core_multi_shell', 'cylinder', 'parallelepiped'] |
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112 | |
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113 | def __init__(self, parent=None, data=None, tab_id=1): |
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114 | |
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115 | super(FittingWidget, self).__init__() |
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116 | |
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117 | # Necessary globals |
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118 | self.parent = parent |
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119 | |
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120 | # Which tab is this widget displayed in? |
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121 | self.tab_id = tab_id |
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122 | |
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123 | import sys |
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124 | sys.excepthook = self.info |
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125 | |
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126 | # Globals |
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127 | self.initializeGlobals() |
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128 | |
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129 | # data index for the batch set |
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130 | self.data_index = 0 |
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131 | # Main Data[12]D holders |
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132 | # Logics.data contains a single Data1D/Data2D object |
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133 | self._logic = [FittingLogic()] |
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134 | |
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135 | # Main GUI setup up |
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136 | self.setupUi(self) |
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137 | self.setWindowTitle("Fitting") |
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138 | |
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139 | # Set up tabs widgets |
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140 | self.initializeWidgets() |
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141 | |
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142 | # Set up models and views |
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143 | self.initializeModels() |
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144 | |
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145 | # Defaults for the structure factors |
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146 | self.setDefaultStructureCombo() |
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147 | |
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148 | # Make structure factor and model CBs disabled |
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149 | self.disableModelCombo() |
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150 | self.disableStructureCombo() |
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151 | |
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152 | # Generate the category list for display |
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153 | self.initializeCategoryCombo() |
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154 | |
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155 | # Initial control state |
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156 | self.initializeControls() |
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157 | |
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158 | QtWidgets.QApplication.processEvents() |
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159 | |
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160 | # Connect signals to controls |
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161 | self.initializeSignals() |
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162 | |
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163 | if data is not None: |
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164 | self.data = data |
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165 | |
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166 | # New font to display angstrom symbol |
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167 | new_font = 'font-family: -apple-system, "Helvetica Neue", "Ubuntu";' |
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168 | self.label_17.setStyleSheet(new_font) |
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169 | self.label_19.setStyleSheet(new_font) |
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170 | |
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171 | def info(self, type, value, tb): |
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172 | logger.error("SasView threw exception: " + str(value)) |
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173 | traceback.print_exception(type, value, tb) |
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174 | |
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175 | @property |
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176 | def logic(self): |
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177 | # make sure the logic contains at least one element |
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178 | assert self._logic |
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179 | # logic connected to the currently shown data |
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180 | return self._logic[self.data_index] |
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181 | |
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182 | @property |
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183 | def data(self): |
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184 | return self.logic.data |
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185 | |
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186 | @data.setter |
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187 | def data(self, value): |
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188 | """ data setter """ |
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189 | # Value is either a list of indices for batch fitting or a simple index |
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190 | # for standard fitting. Assure we have a list, regardless. |
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191 | if isinstance(value, list): |
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192 | self.is_batch_fitting = True |
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193 | else: |
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194 | value = [value] |
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195 | |
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196 | assert isinstance(value[0], QtGui.QStandardItem) |
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197 | |
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198 | # Keep reference to all datasets for batch |
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199 | self.all_data = value |
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200 | |
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201 | # Create logics with data items |
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202 | # Logics.data contains only a single Data1D/Data2D object |
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203 | if len(value) == 1: |
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204 | # single data logic is already defined, update data on it |
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205 | self._logic[0].data = GuiUtils.dataFromItem(value[0]) |
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206 | else: |
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207 | # batch datasets |
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208 | self._logic = [] |
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209 | for data_item in value: |
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210 | logic = FittingLogic(data=GuiUtils.dataFromItem(data_item)) |
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211 | self._logic.append(logic) |
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212 | |
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213 | # Overwrite data type descriptor |
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214 | |
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215 | self.is2D = True if isinstance(self.logic.data, Data2D) else False |
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216 | |
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217 | # Let others know we're full of data now |
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218 | self.data_is_loaded = True |
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219 | |
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220 | # Enable/disable UI components |
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221 | self.setEnablementOnDataLoad() |
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222 | |
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223 | def initializeGlobals(self): |
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224 | """ |
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225 | Initialize global variables used in this class |
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226 | """ |
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227 | # SasModel is loaded |
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228 | self.model_is_loaded = False |
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229 | # Data[12]D passed and set |
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230 | self.data_is_loaded = False |
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231 | # Batch/single fitting |
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232 | self.is_batch_fitting = False |
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233 | self.is_chain_fitting = False |
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234 | # Is the fit job running? |
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235 | self.fit_started = False |
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236 | # The current fit thread |
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237 | self.calc_fit = None |
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238 | # Current SasModel in view |
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239 | self.kernel_module = None |
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240 | # Current SasModel view dimension |
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241 | self.is2D = False |
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242 | # Current SasModel is multishell |
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243 | self.model_has_shells = False |
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244 | # Utility variable to enable unselectable option in category combobox |
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245 | self._previous_category_index = 0 |
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246 | # Utility variables for multishell display |
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247 | self._n_shells_row = 0 |
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248 | self._num_shell_params = 0 |
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249 | # Dictionary of {model name: model class} for the current category |
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250 | self.models = {} |
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251 | # Parameters to fit |
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252 | self.main_params_to_fit = [] |
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253 | self.poly_params_to_fit = [] |
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254 | self.magnet_params_to_fit = [] |
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255 | |
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256 | # Fit options |
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257 | self.q_range_min = 0.005 |
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258 | self.q_range_max = 0.1 |
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259 | self.npts = 25 |
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260 | self.log_points = False |
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261 | self.weighting = 0 |
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262 | self.chi2 = None |
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263 | # Does the control support UNDO/REDO |
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264 | # temporarily off |
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265 | self.undo_supported = False |
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266 | self.page_stack = [] |
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267 | self.all_data = [] |
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268 | # custom plugin models |
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269 | # {model.name:model} |
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270 | self.custom_models = self.customModels() |
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271 | # Polydisp widget table default index for function combobox |
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272 | self.orig_poly_index = 4 |
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273 | # copy of current kernel model |
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274 | self.kernel_module_copy = None |
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275 | |
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276 | # dictionaries of current params |
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277 | self.poly_params = {} |
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278 | self.magnet_params = {} |
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279 | |
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280 | # Page id for fitting |
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281 | # To keep with previous SasView values, use 200 as the start offset |
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282 | self.page_id = 200 + self.tab_id |
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283 | |
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284 | # Data for chosen model |
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285 | self.model_data = None |
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286 | self._previous_model_index = 0 |
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287 | |
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288 | # Which shell is being currently displayed? |
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289 | self.current_shell_displayed = 0 |
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290 | # List of all shell-unique parameters |
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291 | self.shell_names = [] |
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292 | |
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293 | # Error column presence in parameter display |
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294 | self.has_error_column = False |
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295 | self.has_poly_error_column = False |
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296 | self.has_magnet_error_column = False |
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297 | |
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298 | # Enablement of comboboxes |
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299 | self.enabled_cbmodel = False |
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300 | self.enabled_sfmodel = False |
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301 | |
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302 | # If the widget generated theory item, save it |
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303 | self.theory_item = None |
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304 | |
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305 | # list column widths |
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306 | self.lstParamHeaderSizes = {} |
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307 | |
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308 | # signal communicator |
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309 | self.communicate = self.parent.communicate |
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310 | |
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311 | def initializeWidgets(self): |
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312 | """ |
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313 | Initialize widgets for tabs |
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314 | """ |
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315 | # Options widget |
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316 | layout = QtWidgets.QGridLayout() |
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317 | self.options_widget = OptionsWidget(self, self.logic) |
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318 | layout.addWidget(self.options_widget) |
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319 | self.tabOptions.setLayout(layout) |
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320 | |
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321 | # Smearing widget |
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322 | layout = QtWidgets.QGridLayout() |
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323 | self.smearing_widget = SmearingWidget(self) |
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324 | layout.addWidget(self.smearing_widget) |
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325 | self.tabResolution.setLayout(layout) |
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326 | |
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327 | # Define bold font for use in various controls |
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328 | self.boldFont = QtGui.QFont() |
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329 | self.boldFont.setBold(True) |
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330 | |
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331 | # Set data label |
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332 | self.label.setFont(self.boldFont) |
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333 | self.label.setText("No data loaded") |
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334 | self.lblFilename.setText("") |
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335 | |
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336 | # Magnetic angles explained in one picture |
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337 | self.magneticAnglesWidget = QtWidgets.QWidget() |
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338 | labl = QtWidgets.QLabel(self.magneticAnglesWidget) |
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339 | pixmap = QtGui.QPixmap(GuiUtils.IMAGES_DIRECTORY_LOCATION + '/M_angles_pic.png') |
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340 | labl.setPixmap(pixmap) |
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341 | self.magneticAnglesWidget.setFixedSize(pixmap.width(), pixmap.height()) |
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342 | |
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343 | def initializeModels(self): |
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344 | """ |
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345 | Set up models and views |
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346 | """ |
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347 | # Set the main models |
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348 | # We can't use a single model here, due to restrictions on flattening |
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349 | # the model tree with subclassed QAbstractProxyModel... |
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350 | self._model_model = ToolTippedItemModel() |
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351 | self._poly_model = ToolTippedItemModel() |
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352 | self._magnet_model = ToolTippedItemModel() |
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353 | |
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354 | # Param model displayed in param list |
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355 | self.lstParams.setModel(self._model_model) |
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356 | self.readCategoryInfo() |
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357 | |
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358 | self.model_parameters = None |
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359 | |
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360 | # Delegates for custom editing and display |
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361 | self.lstParams.setItemDelegate(ModelViewDelegate(self)) |
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362 | |
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363 | self.lstParams.setAlternatingRowColors(True) |
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364 | stylesheet = """ |
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365 | |
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366 | QTreeView { |
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367 | paint-alternating-row-colors-for-empty-area:0; |
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368 | } |
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369 | |
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370 | QTreeView::item { |
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371 | border: 1px; |
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372 | padding: 2px 1px; |
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373 | } |
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374 | |
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375 | QTreeView::item:hover { |
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376 | background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #e7effd, stop: 1 #cbdaf1); |
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377 | border: 1px solid #bfcde4; |
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378 | } |
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379 | |
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380 | QTreeView::item:selected { |
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381 | border: 1px solid #567dbc; |
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382 | } |
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383 | |
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384 | QTreeView::item:selected:active{ |
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385 | background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6ea1f1, stop: 1 #567dbc); |
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386 | } |
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387 | |
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388 | QTreeView::item:selected:!active { |
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389 | background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6b9be8, stop: 1 #577fbf); |
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390 | } |
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391 | """ |
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392 | self.lstParams.setStyleSheet(stylesheet) |
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393 | self.lstParams.setContextMenuPolicy(QtCore.Qt.CustomContextMenu) |
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394 | self.lstParams.customContextMenuRequested.connect(self.showModelContextMenu) |
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395 | self.lstParams.setAttribute(QtCore.Qt.WA_MacShowFocusRect, False) |
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396 | # Column resize signals |
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397 | self.lstParams.header().sectionResized.connect(self.onColumnWidthUpdate) |
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398 | |
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399 | # Poly model displayed in poly list |
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400 | self.lstPoly.setModel(self._poly_model) |
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401 | self.setPolyModel() |
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402 | self.setTableProperties(self.lstPoly) |
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403 | # Delegates for custom editing and display |
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404 | self.lstPoly.setItemDelegate(PolyViewDelegate(self)) |
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405 | # Polydispersity function combo response |
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406 | self.lstPoly.itemDelegate().combo_updated.connect(self.onPolyComboIndexChange) |
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407 | self.lstPoly.itemDelegate().filename_updated.connect(self.onPolyFilenameChange) |
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408 | |
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409 | # Magnetism model displayed in magnetism list |
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410 | self.lstMagnetic.setModel(self._magnet_model) |
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411 | self.setMagneticModel() |
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412 | self.setTableProperties(self.lstMagnetic) |
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413 | # Delegates for custom editing and display |
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414 | self.lstMagnetic.setItemDelegate(MagnetismViewDelegate(self)) |
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415 | |
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416 | def initializeCategoryCombo(self): |
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417 | """ |
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418 | Model category combo setup |
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419 | """ |
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420 | category_list = sorted(self.master_category_dict.keys()) |
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421 | self.cbCategory.addItem(CATEGORY_DEFAULT) |
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422 | self.cbCategory.addItems(category_list) |
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423 | if CATEGORY_STRUCTURE not in category_list: |
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424 | self.cbCategory.addItem(CATEGORY_STRUCTURE) |
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425 | self.cbCategory.setCurrentIndex(0) |
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426 | |
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427 | def setEnablementOnDataLoad(self): |
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428 | """ |
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429 | Enable/disable various UI elements based on data loaded |
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430 | """ |
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431 | # Tag along functionality |
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432 | self.label.setText("Data loaded from: ") |
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433 | if self.logic.data.filename: |
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434 | self.lblFilename.setText(self.logic.data.filename) |
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435 | else: |
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436 | self.lblFilename.setText(self.logic.data.name) |
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437 | self.updateQRange() |
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438 | # Switch off Data2D control |
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439 | self.chk2DView.setEnabled(False) |
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440 | self.chk2DView.setVisible(False) |
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441 | self.chkMagnetism.setEnabled(False) |
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442 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, self.chkMagnetism.isChecked()) |
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443 | # Combo box or label for file name" |
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444 | if self.is_batch_fitting: |
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445 | self.lblFilename.setVisible(False) |
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446 | for dataitem in self.all_data: |
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447 | filename = GuiUtils.dataFromItem(dataitem).filename |
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448 | self.cbFileNames.addItem(filename) |
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449 | self.cbFileNames.setVisible(True) |
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450 | self.chkChainFit.setEnabled(True) |
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451 | self.chkChainFit.setVisible(True) |
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452 | # This panel is not designed to view individual fits, so disable plotting |
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453 | self.cmdPlot.setVisible(False) |
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454 | # Similarly on other tabs |
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455 | self.options_widget.setEnablementOnDataLoad() |
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456 | self.onSelectModel() |
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457 | # Smearing tab |
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458 | self.smearing_widget.updateData(self.data) |
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459 | |
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460 | def acceptsData(self): |
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461 | """ Tells the caller this widget can accept new dataset """ |
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462 | return not self.data_is_loaded |
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463 | |
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464 | def disableModelCombo(self): |
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465 | """ Disable the combobox """ |
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466 | self.cbModel.setEnabled(False) |
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467 | self.lblModel.setEnabled(False) |
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468 | self.enabled_cbmodel = False |
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469 | |
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470 | def enableModelCombo(self): |
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471 | """ Enable the combobox """ |
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472 | self.cbModel.setEnabled(True) |
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473 | self.lblModel.setEnabled(True) |
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474 | self.enabled_cbmodel = True |
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475 | |
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476 | def disableStructureCombo(self): |
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477 | """ Disable the combobox """ |
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478 | self.cbStructureFactor.setEnabled(False) |
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479 | self.lblStructure.setEnabled(False) |
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480 | self.enabled_sfmodel = False |
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481 | |
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482 | def enableStructureCombo(self): |
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483 | """ Enable the combobox """ |
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484 | self.cbStructureFactor.setEnabled(True) |
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485 | self.lblStructure.setEnabled(True) |
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486 | self.enabled_sfmodel = True |
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487 | |
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488 | def togglePoly(self, isChecked): |
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489 | """ Enable/disable the polydispersity tab """ |
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490 | self.tabFitting.setTabEnabled(TAB_POLY, isChecked) |
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491 | # Check if any parameters are ready for fitting |
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492 | self.cmdFit.setEnabled(self.haveParamsToFit()) |
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493 | |
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494 | def toggleMagnetism(self, isChecked): |
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495 | """ Enable/disable the magnetism tab """ |
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496 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked) |
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497 | # Check if any parameters are ready for fitting |
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498 | self.cmdFit.setEnabled(self.haveParamsToFit()) |
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499 | |
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500 | def toggleChainFit(self, isChecked): |
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501 | """ Enable/disable chain fitting """ |
---|
502 | self.is_chain_fitting = isChecked |
---|
503 | |
---|
504 | def toggle2D(self, isChecked): |
---|
505 | """ Enable/disable the controls dependent on 1D/2D data instance """ |
---|
506 | self.chkMagnetism.setEnabled(isChecked) |
---|
507 | self.is2D = isChecked |
---|
508 | # Reload the current model |
---|
509 | if self.kernel_module: |
---|
510 | self.onSelectModel() |
---|
511 | |
---|
512 | @classmethod |
---|
513 | def customModels(cls): |
---|
514 | """ Reads in file names in the custom plugin directory """ |
---|
515 | return ModelUtilities._find_models() |
---|
516 | |
---|
517 | def initializeControls(self): |
---|
518 | """ |
---|
519 | Set initial control enablement |
---|
520 | """ |
---|
521 | self.cbFileNames.setVisible(False) |
---|
522 | self.cmdFit.setEnabled(False) |
---|
523 | self.cmdPlot.setEnabled(False) |
---|
524 | self.chkPolydispersity.setEnabled(True) |
---|
525 | self.chkPolydispersity.setCheckState(False) |
---|
526 | self.chk2DView.setEnabled(True) |
---|
527 | self.chk2DView.setCheckState(False) |
---|
528 | self.chkMagnetism.setEnabled(False) |
---|
529 | self.chkMagnetism.setCheckState(False) |
---|
530 | self.chkChainFit.setEnabled(False) |
---|
531 | self.chkChainFit.setVisible(False) |
---|
532 | # Tabs |
---|
533 | self.tabFitting.setTabEnabled(TAB_POLY, False) |
---|
534 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, False) |
---|
535 | self.lblChi2Value.setText("---") |
---|
536 | # Smearing tab |
---|
537 | self.smearing_widget.updateData(self.data) |
---|
538 | # Line edits in the option tab |
---|
539 | self.updateQRange() |
---|
540 | |
---|
541 | def initializeSignals(self): |
---|
542 | """ |
---|
543 | Connect GUI element signals |
---|
544 | """ |
---|
545 | # Comboboxes |
---|
546 | self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor) |
---|
547 | self.cbCategory.currentIndexChanged.connect(self.onSelectCategory) |
---|
548 | self.cbModel.currentIndexChanged.connect(self.onSelectModel) |
---|
549 | self.cbFileNames.currentIndexChanged.connect(self.onSelectBatchFilename) |
---|
550 | # Checkboxes |
---|
551 | self.chk2DView.toggled.connect(self.toggle2D) |
---|
552 | self.chkPolydispersity.toggled.connect(self.togglePoly) |
---|
553 | self.chkMagnetism.toggled.connect(self.toggleMagnetism) |
---|
554 | self.chkChainFit.toggled.connect(self.toggleChainFit) |
---|
555 | # Buttons |
---|
556 | self.cmdFit.clicked.connect(self.onFit) |
---|
557 | self.cmdPlot.clicked.connect(self.onPlot) |
---|
558 | self.cmdHelp.clicked.connect(self.onHelp) |
---|
559 | self.cmdMagneticDisplay.clicked.connect(self.onDisplayMagneticAngles) |
---|
560 | |
---|
561 | # Respond to change in parameters from the UI |
---|
562 | self._model_model.dataChanged.connect(self.onMainParamsChange) |
---|
563 | self._poly_model.dataChanged.connect(self.onPolyModelChange) |
---|
564 | self._magnet_model.dataChanged.connect(self.onMagnetModelChange) |
---|
565 | self.lstParams.selectionModel().selectionChanged.connect(self.onSelectionChanged) |
---|
566 | |
---|
567 | # Local signals |
---|
568 | self.batchFittingFinishedSignal.connect(self.batchFitComplete) |
---|
569 | self.fittingFinishedSignal.connect(self.fitComplete) |
---|
570 | self.Calc1DFinishedSignal.connect(self.complete1D) |
---|
571 | self.Calc2DFinishedSignal.connect(self.complete2D) |
---|
572 | |
---|
573 | # Signals from separate tabs asking for replot |
---|
574 | self.options_widget.plot_signal.connect(self.onOptionsUpdate) |
---|
575 | |
---|
576 | # Signals from other widgets |
---|
577 | self.communicate.customModelDirectoryChanged.connect(self.onCustomModelChange) |
---|
578 | self.smearing_widget.smearingChangedSignal.connect(self.onSmearingOptionsUpdate) |
---|
579 | |
---|
580 | # Communicator signal |
---|
581 | self.communicate.updateModelCategoriesSignal.connect(self.onCategoriesChanged) |
---|
582 | |
---|
583 | def modelName(self): |
---|
584 | """ |
---|
585 | Returns model name, by default M<tab#>, e.g. M1, M2 |
---|
586 | """ |
---|
587 | return "M%i" % self.tab_id |
---|
588 | |
---|
589 | def nameForFittedData(self, name): |
---|
590 | """ |
---|
591 | Generate name for the current fit |
---|
592 | """ |
---|
593 | if self.is2D: |
---|
594 | name += "2d" |
---|
595 | name = "%s [%s]" % (self.modelName(), name) |
---|
596 | return name |
---|
597 | |
---|
598 | def showModelContextMenu(self, position): |
---|
599 | """ |
---|
600 | Show context specific menu in the parameter table. |
---|
601 | When clicked on parameter(s): fitting/constraints options |
---|
602 | When clicked on white space: model description |
---|
603 | """ |
---|
604 | rows = [s.row() for s in self.lstParams.selectionModel().selectedRows() |
---|
605 | if self.isCheckable(s.row())] |
---|
606 | menu = self.showModelDescription() if not rows else self.modelContextMenu(rows) |
---|
607 | try: |
---|
608 | menu.exec_(self.lstParams.viewport().mapToGlobal(position)) |
---|
609 | except AttributeError as ex: |
---|
610 | logger.error("Error generating context menu: %s" % ex) |
---|
611 | return |
---|
612 | |
---|
613 | def modelContextMenu(self, rows): |
---|
614 | """ |
---|
615 | Create context menu for the parameter selection |
---|
616 | """ |
---|
617 | menu = QtWidgets.QMenu() |
---|
618 | num_rows = len(rows) |
---|
619 | if num_rows < 1: |
---|
620 | return menu |
---|
621 | # Select for fitting |
---|
622 | param_string = "parameter " if num_rows == 1 else "parameters " |
---|
623 | to_string = "to its current value" if num_rows == 1 else "to their current values" |
---|
624 | has_constraints = any([self.rowHasConstraint(i) for i in rows]) |
---|
625 | has_real_constraints = any([self.rowHasActiveConstraint(i) for i in rows]) |
---|
626 | |
---|
627 | self.actionSelect = QtWidgets.QAction(self) |
---|
628 | self.actionSelect.setObjectName("actionSelect") |
---|
629 | self.actionSelect.setText(QtCore.QCoreApplication.translate("self", "Select "+param_string+" for fitting")) |
---|
630 | # Unselect from fitting |
---|
631 | self.actionDeselect = QtWidgets.QAction(self) |
---|
632 | self.actionDeselect.setObjectName("actionDeselect") |
---|
633 | self.actionDeselect.setText(QtCore.QCoreApplication.translate("self", "De-select "+param_string+" from fitting")) |
---|
634 | |
---|
635 | self.actionConstrain = QtWidgets.QAction(self) |
---|
636 | self.actionConstrain.setObjectName("actionConstrain") |
---|
637 | self.actionConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain "+param_string + to_string)) |
---|
638 | |
---|
639 | self.actionRemoveConstraint = QtWidgets.QAction(self) |
---|
640 | self.actionRemoveConstraint.setObjectName("actionRemoveConstrain") |
---|
641 | self.actionRemoveConstraint.setText(QtCore.QCoreApplication.translate("self", "Remove constraint")) |
---|
642 | |
---|
643 | self.actionEditConstraint = QtWidgets.QAction(self) |
---|
644 | self.actionEditConstraint.setObjectName("actionEditConstrain") |
---|
645 | self.actionEditConstraint.setText(QtCore.QCoreApplication.translate("self", "Edit constraint")) |
---|
646 | |
---|
647 | self.actionMultiConstrain = QtWidgets.QAction(self) |
---|
648 | self.actionMultiConstrain.setObjectName("actionMultiConstrain") |
---|
649 | self.actionMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain selected parameters to their current values")) |
---|
650 | |
---|
651 | self.actionMutualMultiConstrain = QtWidgets.QAction(self) |
---|
652 | self.actionMutualMultiConstrain.setObjectName("actionMutualMultiConstrain") |
---|
653 | self.actionMutualMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Mutual constrain of selected parameters...")) |
---|
654 | |
---|
655 | menu.addAction(self.actionSelect) |
---|
656 | menu.addAction(self.actionDeselect) |
---|
657 | menu.addSeparator() |
---|
658 | |
---|
659 | if has_constraints: |
---|
660 | menu.addAction(self.actionRemoveConstraint) |
---|
661 | if num_rows == 1 and has_real_constraints: |
---|
662 | menu.addAction(self.actionEditConstraint) |
---|
663 | #if num_rows == 1: |
---|
664 | # menu.addAction(self.actionEditConstraint) |
---|
665 | else: |
---|
666 | menu.addAction(self.actionConstrain) |
---|
667 | if num_rows == 2: |
---|
668 | menu.addAction(self.actionMutualMultiConstrain) |
---|
669 | |
---|
670 | # Define the callbacks |
---|
671 | self.actionConstrain.triggered.connect(self.addSimpleConstraint) |
---|
672 | self.actionRemoveConstraint.triggered.connect(self.deleteConstraint) |
---|
673 | self.actionEditConstraint.triggered.connect(self.editConstraint) |
---|
674 | self.actionMutualMultiConstrain.triggered.connect(self.showMultiConstraint) |
---|
675 | self.actionSelect.triggered.connect(self.selectParameters) |
---|
676 | self.actionDeselect.triggered.connect(self.deselectParameters) |
---|
677 | return menu |
---|
678 | |
---|
679 | def showMultiConstraint(self): |
---|
680 | """ |
---|
681 | Show the constraint widget and receive the expression |
---|
682 | """ |
---|
683 | selected_rows = self.lstParams.selectionModel().selectedRows() |
---|
684 | # There have to be only two rows selected. The caller takes care of that |
---|
685 | # but let's check the correctness. |
---|
686 | assert len(selected_rows) == 2 |
---|
687 | |
---|
688 | params_list = [s.data() for s in selected_rows] |
---|
689 | # Create and display the widget for param1 and param2 |
---|
690 | mc_widget = MultiConstraint(self, params=params_list) |
---|
691 | # Check if any of the parameters are polydisperse |
---|
692 | if not np.any([FittingUtilities.isParamPolydisperse(p, self.model_parameters, is2D=self.is2D) for p in params_list]): |
---|
693 | # no parameters are pd - reset the text to not show the warning |
---|
694 | mc_widget.lblWarning.setText("") |
---|
695 | if mc_widget.exec_() != QtWidgets.QDialog.Accepted: |
---|
696 | return |
---|
697 | |
---|
698 | constraint = Constraint() |
---|
699 | c_text = mc_widget.txtConstraint.text() |
---|
700 | |
---|
701 | # widget.params[0] is the parameter we're constraining |
---|
702 | constraint.param = mc_widget.params[0] |
---|
703 | # parameter should have the model name preamble |
---|
704 | model_name = self.kernel_module.name |
---|
705 | # param_used is the parameter we're using in constraining function |
---|
706 | param_used = mc_widget.params[1] |
---|
707 | # Replace param_used with model_name.param_used |
---|
708 | updated_param_used = model_name + "." + param_used |
---|
709 | new_func = c_text.replace(param_used, updated_param_used) |
---|
710 | constraint.func = new_func |
---|
711 | constraint.value_ex = updated_param_used |
---|
712 | # Which row is the constrained parameter in? |
---|
713 | row = self.getRowFromName(constraint.param) |
---|
714 | |
---|
715 | # what is the parameter to constraint to? |
---|
716 | constraint.value = param_used |
---|
717 | |
---|
718 | # Should the new constraint be validated? |
---|
719 | constraint.validate = mc_widget.validate |
---|
720 | |
---|
721 | # Create a new item and add the Constraint object as a child |
---|
722 | self.addConstraintToRow(constraint=constraint, row=row) |
---|
723 | |
---|
724 | def getRowFromName(self, name): |
---|
725 | """ |
---|
726 | Given parameter name get the row number in self._model_model |
---|
727 | """ |
---|
728 | for row in range(self._model_model.rowCount()): |
---|
729 | row_name = self._model_model.item(row).text() |
---|
730 | if row_name == name: |
---|
731 | return row |
---|
732 | return None |
---|
733 | |
---|
734 | def getParamNames(self): |
---|
735 | """ |
---|
736 | Return list of all parameters for the current model |
---|
737 | """ |
---|
738 | return [self._model_model.item(row).text() |
---|
739 | for row in range(self._model_model.rowCount()) |
---|
740 | if self.isCheckable(row)] |
---|
741 | |
---|
742 | def modifyViewOnRow(self, row, font=None, brush=None): |
---|
743 | """ |
---|
744 | Chage how the given row of the main model is shown |
---|
745 | """ |
---|
746 | fields_enabled = False |
---|
747 | if font is None: |
---|
748 | font = QtGui.QFont() |
---|
749 | fields_enabled = True |
---|
750 | if brush is None: |
---|
751 | brush = QtGui.QBrush() |
---|
752 | fields_enabled = True |
---|
753 | self._model_model.blockSignals(True) |
---|
754 | # Modify font and foreground of affected rows |
---|
755 | for column in range(0, self._model_model.columnCount()): |
---|
756 | self._model_model.item(row, column).setForeground(brush) |
---|
757 | self._model_model.item(row, column).setFont(font) |
---|
758 | self._model_model.item(row, column).setEditable(fields_enabled) |
---|
759 | self._model_model.blockSignals(False) |
---|
760 | |
---|
761 | def addConstraintToRow(self, constraint=None, row=0): |
---|
762 | """ |
---|
763 | Adds the constraint object to requested row |
---|
764 | """ |
---|
765 | # Create a new item and add the Constraint object as a child |
---|
766 | assert isinstance(constraint, Constraint) |
---|
767 | assert 0 <= row <= self._model_model.rowCount() |
---|
768 | assert self.isCheckable(row) |
---|
769 | |
---|
770 | item = QtGui.QStandardItem() |
---|
771 | item.setData(constraint) |
---|
772 | self._model_model.item(row, 1).setChild(0, item) |
---|
773 | # Set min/max to the value constrained |
---|
774 | self.constraintAddedSignal.emit([row]) |
---|
775 | # Show visual hints for the constraint |
---|
776 | font = QtGui.QFont() |
---|
777 | font.setItalic(True) |
---|
778 | brush = QtGui.QBrush(QtGui.QColor('blue')) |
---|
779 | self.modifyViewOnRow(row, font=font, brush=brush) |
---|
780 | self.communicate.statusBarUpdateSignal.emit('Constraint added') |
---|
781 | |
---|
782 | def addSimpleConstraint(self): |
---|
783 | """ |
---|
784 | Adds a constraint on a single parameter. |
---|
785 | """ |
---|
786 | min_col = self.lstParams.itemDelegate().param_min |
---|
787 | max_col = self.lstParams.itemDelegate().param_max |
---|
788 | for row in self.selectedParameters(): |
---|
789 | assert(self.isCheckable(row)) |
---|
790 | param = self._model_model.item(row, 0).text() |
---|
791 | value = self._model_model.item(row, 1).text() |
---|
792 | min_t = self._model_model.item(row, min_col).text() |
---|
793 | max_t = self._model_model.item(row, max_col).text() |
---|
794 | # Create a Constraint object |
---|
795 | constraint = Constraint(param=param, value=value, min=min_t, max=max_t) |
---|
796 | # Create a new item and add the Constraint object as a child |
---|
797 | item = QtGui.QStandardItem() |
---|
798 | item.setData(constraint) |
---|
799 | self._model_model.item(row, 1).setChild(0, item) |
---|
800 | # Assumed correctness from the validator |
---|
801 | value = float(value) |
---|
802 | # BUMPS calculates log(max-min) without any checks, so let's assign minor range |
---|
803 | min_v = value - (value/10000.0) |
---|
804 | max_v = value + (value/10000.0) |
---|
805 | # Set min/max to the value constrained |
---|
806 | self._model_model.item(row, min_col).setText(str(min_v)) |
---|
807 | self._model_model.item(row, max_col).setText(str(max_v)) |
---|
808 | self.constraintAddedSignal.emit([row]) |
---|
809 | # Show visual hints for the constraint |
---|
810 | font = QtGui.QFont() |
---|
811 | font.setItalic(True) |
---|
812 | brush = QtGui.QBrush(QtGui.QColor('blue')) |
---|
813 | self.modifyViewOnRow(row, font=font, brush=brush) |
---|
814 | self.communicate.statusBarUpdateSignal.emit('Constraint added') |
---|
815 | |
---|
816 | def editConstraint(self): |
---|
817 | """ |
---|
818 | Delete constraints from selected parameters. |
---|
819 | """ |
---|
820 | params_list = [s.data() for s in self.lstParams.selectionModel().selectedRows() |
---|
821 | if self.isCheckable(s.row())] |
---|
822 | assert len(params_list) == 1 |
---|
823 | row = self.lstParams.selectionModel().selectedRows()[0].row() |
---|
824 | constraint = self.getConstraintForRow(row) |
---|
825 | # Create and display the widget for param1 and param2 |
---|
826 | mc_widget = MultiConstraint(self, params=params_list, constraint=constraint) |
---|
827 | # Check if any of the parameters are polydisperse |
---|
828 | if not np.any([FittingUtilities.isParamPolydisperse(p, self.model_parameters, is2D=self.is2D) for p in params_list]): |
---|
829 | # no parameters are pd - reset the text to not show the warning |
---|
830 | mc_widget.lblWarning.setText("") |
---|
831 | if mc_widget.exec_() != QtWidgets.QDialog.Accepted: |
---|
832 | return |
---|
833 | |
---|
834 | constraint = Constraint() |
---|
835 | c_text = mc_widget.txtConstraint.text() |
---|
836 | |
---|
837 | # widget.params[0] is the parameter we're constraining |
---|
838 | constraint.param = mc_widget.params[0] |
---|
839 | # parameter should have the model name preamble |
---|
840 | model_name = self.kernel_module.name |
---|
841 | # param_used is the parameter we're using in constraining function |
---|
842 | param_used = mc_widget.params[1] |
---|
843 | # Replace param_used with model_name.param_used |
---|
844 | updated_param_used = model_name + "." + param_used |
---|
845 | # Update constraint with new values |
---|
846 | constraint.func = c_text |
---|
847 | constraint.value_ex = updated_param_used |
---|
848 | constraint.value = param_used |
---|
849 | # Should the new constraint be validated? |
---|
850 | constraint.validate = mc_widget.validate |
---|
851 | |
---|
852 | # Which row is the constrained parameter in? |
---|
853 | row = self.getRowFromName(constraint.param) |
---|
854 | |
---|
855 | # Create a new item and add the Constraint object as a child |
---|
856 | self.addConstraintToRow(constraint=constraint, row=row) |
---|
857 | |
---|
858 | def deleteConstraint(self): |
---|
859 | """ |
---|
860 | Delete constraints from selected parameters. |
---|
861 | """ |
---|
862 | params = [s.data() for s in self.lstParams.selectionModel().selectedRows() |
---|
863 | if self.isCheckable(s.row())] |
---|
864 | for param in params: |
---|
865 | self.deleteConstraintOnParameter(param=param) |
---|
866 | |
---|
867 | def deleteConstraintOnParameter(self, param=None): |
---|
868 | """ |
---|
869 | Delete the constraint on model parameter 'param' |
---|
870 | """ |
---|
871 | min_col = self.lstParams.itemDelegate().param_min |
---|
872 | max_col = self.lstParams.itemDelegate().param_max |
---|
873 | for row in range(self._model_model.rowCount()): |
---|
874 | if not self.isCheckable(row): |
---|
875 | continue |
---|
876 | if not self.rowHasConstraint(row): |
---|
877 | continue |
---|
878 | # Get the Constraint object from of the model item |
---|
879 | item = self._model_model.item(row, 1) |
---|
880 | constraint = self.getConstraintForRow(row) |
---|
881 | if constraint is None: |
---|
882 | continue |
---|
883 | if not isinstance(constraint, Constraint): |
---|
884 | continue |
---|
885 | if param and constraint.param != param: |
---|
886 | continue |
---|
887 | # Now we got the right row. Delete the constraint and clean up |
---|
888 | # Retrieve old values and put them on the model |
---|
889 | if constraint.min is not None: |
---|
890 | self._model_model.item(row, min_col).setText(constraint.min) |
---|
891 | if constraint.max is not None: |
---|
892 | self._model_model.item(row, max_col).setText(constraint.max) |
---|
893 | # Remove constraint item |
---|
894 | item.removeRow(0) |
---|
895 | self.constraintAddedSignal.emit([row]) |
---|
896 | self.modifyViewOnRow(row) |
---|
897 | |
---|
898 | self.communicate.statusBarUpdateSignal.emit('Constraint removed') |
---|
899 | |
---|
900 | def getConstraintForRow(self, row): |
---|
901 | """ |
---|
902 | For the given row, return its constraint, if any (otherwise None) |
---|
903 | """ |
---|
904 | if not self.isCheckable(row): |
---|
905 | return None |
---|
906 | item = self._model_model.item(row, 1) |
---|
907 | try: |
---|
908 | return item.child(0).data() |
---|
909 | except AttributeError: |
---|
910 | return None |
---|
911 | |
---|
912 | def allParamNames(self): |
---|
913 | """ |
---|
914 | Returns a list of all parameter names defined on the current model |
---|
915 | """ |
---|
916 | all_params = self.kernel_module._model_info.parameters.kernel_parameters |
---|
917 | all_param_names = [param.name for param in all_params] |
---|
918 | # Assure scale and background are always included |
---|
919 | if 'scale' not in all_param_names: |
---|
920 | all_param_names.append('scale') |
---|
921 | if 'background' not in all_param_names: |
---|
922 | all_param_names.append('background') |
---|
923 | return all_param_names |
---|
924 | |
---|
925 | def paramHasConstraint(self, param=None): |
---|
926 | """ |
---|
927 | Finds out if the given parameter in the main model has a constraint child |
---|
928 | """ |
---|
929 | if param is None: return False |
---|
930 | if param not in self.allParamNames(): return False |
---|
931 | |
---|
932 | for row in range(self._model_model.rowCount()): |
---|
933 | if self._model_model.item(row,0).text() != param: continue |
---|
934 | return self.rowHasConstraint(row) |
---|
935 | |
---|
936 | # nothing found |
---|
937 | return False |
---|
938 | |
---|
939 | def rowHasConstraint(self, row): |
---|
940 | """ |
---|
941 | Finds out if row of the main model has a constraint child |
---|
942 | """ |
---|
943 | if not self.isCheckable(row): |
---|
944 | return False |
---|
945 | item = self._model_model.item(row, 1) |
---|
946 | if not item.hasChildren(): |
---|
947 | return False |
---|
948 | c = item.child(0).data() |
---|
949 | if isinstance(c, Constraint): |
---|
950 | return True |
---|
951 | return False |
---|
952 | |
---|
953 | def rowHasActiveConstraint(self, row): |
---|
954 | """ |
---|
955 | Finds out if row of the main model has an active constraint child |
---|
956 | """ |
---|
957 | if not self.isCheckable(row): |
---|
958 | return False |
---|
959 | item = self._model_model.item(row, 1) |
---|
960 | if not item.hasChildren(): |
---|
961 | return False |
---|
962 | c = item.child(0).data() |
---|
963 | if isinstance(c, Constraint) and c.active: |
---|
964 | return True |
---|
965 | return False |
---|
966 | |
---|
967 | def rowHasActiveComplexConstraint(self, row): |
---|
968 | """ |
---|
969 | Finds out if row of the main model has an active, nontrivial constraint child |
---|
970 | """ |
---|
971 | if not self.isCheckable(row): |
---|
972 | return False |
---|
973 | item = self._model_model.item(row, 1) |
---|
974 | if not item.hasChildren(): |
---|
975 | return False |
---|
976 | c = item.child(0).data() |
---|
977 | if isinstance(c, Constraint) and c.func and c.active: |
---|
978 | return True |
---|
979 | return False |
---|
980 | |
---|
981 | def selectParameters(self): |
---|
982 | """ |
---|
983 | Selected parameter is chosen for fitting |
---|
984 | """ |
---|
985 | status = QtCore.Qt.Checked |
---|
986 | self.setParameterSelection(status) |
---|
987 | |
---|
988 | def deselectParameters(self): |
---|
989 | """ |
---|
990 | Selected parameters are removed for fitting |
---|
991 | """ |
---|
992 | status = QtCore.Qt.Unchecked |
---|
993 | self.setParameterSelection(status) |
---|
994 | |
---|
995 | def selectedParameters(self): |
---|
996 | """ Returns list of selected (highlighted) parameters """ |
---|
997 | return [s.row() for s in self.lstParams.selectionModel().selectedRows() |
---|
998 | if self.isCheckable(s.row())] |
---|
999 | |
---|
1000 | def setParameterSelection(self, status=QtCore.Qt.Unchecked): |
---|
1001 | """ |
---|
1002 | Selected parameters are chosen for fitting |
---|
1003 | """ |
---|
1004 | # Convert to proper indices and set requested enablement |
---|
1005 | for row in self.selectedParameters(): |
---|
1006 | self._model_model.item(row, 0).setCheckState(status) |
---|
1007 | |
---|
1008 | def getConstraintsForModel(self): |
---|
1009 | """ |
---|
1010 | Return a list of tuples. Each tuple contains constraints mapped as |
---|
1011 | ('constrained parameter', 'function to constrain') |
---|
1012 | e.g. [('sld','5*sld_solvent')] |
---|
1013 | """ |
---|
1014 | param_number = self._model_model.rowCount() |
---|
1015 | params = [(self._model_model.item(s, 0).text(), |
---|
1016 | self._model_model.item(s, 1).child(0).data().func) |
---|
1017 | for s in range(param_number) if self.rowHasActiveConstraint(s)] |
---|
1018 | return params |
---|
1019 | |
---|
1020 | def getComplexConstraintsForModel(self): |
---|
1021 | """ |
---|
1022 | Return a list of tuples. Each tuple contains constraints mapped as |
---|
1023 | ('constrained parameter', 'function to constrain') |
---|
1024 | e.g. [('sld','5*M2.sld_solvent')]. |
---|
1025 | Only for constraints with defined VALUE |
---|
1026 | """ |
---|
1027 | param_number = self._model_model.rowCount() |
---|
1028 | params = [(self._model_model.item(s, 0).text(), |
---|
1029 | self._model_model.item(s, 1).child(0).data().func) |
---|
1030 | for s in range(param_number) if self.rowHasActiveComplexConstraint(s)] |
---|
1031 | return params |
---|
1032 | |
---|
1033 | def getConstraintObjectsForModel(self): |
---|
1034 | """ |
---|
1035 | Returns Constraint objects present on the whole model |
---|
1036 | """ |
---|
1037 | param_number = self._model_model.rowCount() |
---|
1038 | constraints = [self._model_model.item(s, 1).child(0).data() |
---|
1039 | for s in range(param_number) if self.rowHasConstraint(s)] |
---|
1040 | |
---|
1041 | return constraints |
---|
1042 | |
---|
1043 | def getConstraintsForFitting(self): |
---|
1044 | """ |
---|
1045 | Return a list of constraints in format ready for use in fiting |
---|
1046 | """ |
---|
1047 | # Get constraints |
---|
1048 | constraints = self.getComplexConstraintsForModel() |
---|
1049 | # See if there are any constraints across models |
---|
1050 | multi_constraints = [cons for cons in constraints if self.isConstraintMultimodel(cons[1])] |
---|
1051 | |
---|
1052 | if multi_constraints: |
---|
1053 | # Let users choose what to do |
---|
1054 | msg = "The current fit contains constraints relying on other fit pages.\n" |
---|
1055 | msg += "Parameters with those constraints are:\n" +\ |
---|
1056 | '\n'.join([cons[0] for cons in multi_constraints]) |
---|
1057 | msg += "\n\nWould you like to remove these constraints or cancel fitting?" |
---|
1058 | msgbox = QtWidgets.QMessageBox(self) |
---|
1059 | msgbox.setIcon(QtWidgets.QMessageBox.Warning) |
---|
1060 | msgbox.setText(msg) |
---|
1061 | msgbox.setWindowTitle("Existing Constraints") |
---|
1062 | # custom buttons |
---|
1063 | button_remove = QtWidgets.QPushButton("Remove") |
---|
1064 | msgbox.addButton(button_remove, QtWidgets.QMessageBox.YesRole) |
---|
1065 | button_cancel = QtWidgets.QPushButton("Cancel") |
---|
1066 | msgbox.addButton(button_cancel, QtWidgets.QMessageBox.RejectRole) |
---|
1067 | retval = msgbox.exec_() |
---|
1068 | if retval == QtWidgets.QMessageBox.RejectRole: |
---|
1069 | # cancel fit |
---|
1070 | raise ValueError("Fitting cancelled") |
---|
1071 | else: |
---|
1072 | # remove constraint |
---|
1073 | for cons in multi_constraints: |
---|
1074 | self.deleteConstraintOnParameter(param=cons[0]) |
---|
1075 | # re-read the constraints |
---|
1076 | constraints = self.getComplexConstraintsForModel() |
---|
1077 | |
---|
1078 | return constraints |
---|
1079 | |
---|
1080 | def showModelDescription(self): |
---|
1081 | """ |
---|
1082 | Creates a window with model description, when right clicked in the treeview |
---|
1083 | """ |
---|
1084 | msg = 'Model description:\n' |
---|
1085 | if self.kernel_module is not None: |
---|
1086 | if str(self.kernel_module.description).rstrip().lstrip() == '': |
---|
1087 | msg += "Sorry, no information is available for this model." |
---|
1088 | else: |
---|
1089 | msg += self.kernel_module.description + '\n' |
---|
1090 | else: |
---|
1091 | msg += "You must select a model to get information on this" |
---|
1092 | |
---|
1093 | menu = QtWidgets.QMenu() |
---|
1094 | label = QtWidgets.QLabel(msg) |
---|
1095 | action = QtWidgets.QWidgetAction(self) |
---|
1096 | action.setDefaultWidget(label) |
---|
1097 | menu.addAction(action) |
---|
1098 | return menu |
---|
1099 | |
---|
1100 | def canHaveMagnetism(self): |
---|
1101 | """ |
---|
1102 | Checks if the current model has magnetic scattering implemented |
---|
1103 | """ |
---|
1104 | has_mag_params = False |
---|
1105 | if self.kernel_module: |
---|
1106 | has_mag_params = len(self.kernel_module.magnetic_params) > 0 |
---|
1107 | return self.is2D and has_mag_params |
---|
1108 | |
---|
1109 | def onSelectModel(self): |
---|
1110 | """ |
---|
1111 | Respond to select Model from list event |
---|
1112 | """ |
---|
1113 | model = self.cbModel.currentText() |
---|
1114 | |
---|
1115 | if model == MODEL_DEFAULT: |
---|
1116 | # if the previous category was not the default, keep it. |
---|
1117 | # Otherwise, just return |
---|
1118 | if self._previous_model_index != 0: |
---|
1119 | # We need to block signals, or else state changes on perceived unchanged conditions |
---|
1120 | self.cbModel.blockSignals(True) |
---|
1121 | self.cbModel.setCurrentIndex(self._previous_model_index) |
---|
1122 | self.cbModel.blockSignals(False) |
---|
1123 | return |
---|
1124 | |
---|
1125 | # Assure the control is active |
---|
1126 | if not self.cbModel.isEnabled(): |
---|
1127 | return |
---|
1128 | # Empty combobox forced to be read |
---|
1129 | if not model: |
---|
1130 | return |
---|
1131 | |
---|
1132 | self.chkMagnetism.setEnabled(self.canHaveMagnetism()) |
---|
1133 | self.chkMagnetism.setEnabled(self.canHaveMagnetism()) |
---|
1134 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, self.chkMagnetism.isChecked() and self.canHaveMagnetism()) |
---|
1135 | self._previous_model_index = self.cbModel.currentIndex() |
---|
1136 | |
---|
1137 | # Reset parameters to fit |
---|
1138 | self.resetParametersToFit() |
---|
1139 | self.has_error_column = False |
---|
1140 | self.has_poly_error_column = False |
---|
1141 | |
---|
1142 | structure = None |
---|
1143 | if self.cbStructureFactor.isEnabled(): |
---|
1144 | structure = str(self.cbStructureFactor.currentText()) |
---|
1145 | self.respondToModelStructure(model=model, structure_factor=structure) |
---|
1146 | |
---|
1147 | def onSelectBatchFilename(self, data_index): |
---|
1148 | """ |
---|
1149 | Update the logic based on the selected file in batch fitting |
---|
1150 | """ |
---|
1151 | self.data_index = data_index |
---|
1152 | self.updateQRange() |
---|
1153 | |
---|
1154 | def onSelectStructureFactor(self): |
---|
1155 | """ |
---|
1156 | Select Structure Factor from list |
---|
1157 | """ |
---|
1158 | model = str(self.cbModel.currentText()) |
---|
1159 | category = str(self.cbCategory.currentText()) |
---|
1160 | structure = str(self.cbStructureFactor.currentText()) |
---|
1161 | if category == CATEGORY_STRUCTURE: |
---|
1162 | model = None |
---|
1163 | # copy original clipboard |
---|
1164 | cb = QtWidgets.QApplication.clipboard() |
---|
1165 | cb_text = cb.text() |
---|
1166 | # get the screenshot of the current param state |
---|
1167 | self.onCopyToClipboard("") |
---|
1168 | |
---|
1169 | # Reset parameters to fit |
---|
1170 | self.resetParametersToFit() |
---|
1171 | self.has_error_column = False |
---|
1172 | self.has_poly_error_column = False |
---|
1173 | |
---|
1174 | self.respondToModelStructure(model=model, structure_factor=structure) |
---|
1175 | # recast the original parameters into the model |
---|
1176 | self.onParameterPaste() |
---|
1177 | # revert to the original clipboard |
---|
1178 | cb.setText(cb_text) |
---|
1179 | |
---|
1180 | def resetParametersToFit(self): |
---|
1181 | """ |
---|
1182 | Clears the list of parameters to be fitted |
---|
1183 | """ |
---|
1184 | self.main_params_to_fit = [] |
---|
1185 | self.poly_params_to_fit = [] |
---|
1186 | self.magnet_params_to_fit = [] |
---|
1187 | |
---|
1188 | def onCustomModelChange(self): |
---|
1189 | """ |
---|
1190 | Reload the custom model combobox |
---|
1191 | """ |
---|
1192 | self.custom_models = self.customModels() |
---|
1193 | self.readCustomCategoryInfo() |
---|
1194 | self.onCategoriesChanged() |
---|
1195 | |
---|
1196 | # See if we need to update the combo in-place |
---|
1197 | if self.cbCategory.currentText() != CATEGORY_CUSTOM: return |
---|
1198 | |
---|
1199 | current_text = self.cbModel.currentText() |
---|
1200 | self.cbModel.blockSignals(True) |
---|
1201 | self.cbModel.clear() |
---|
1202 | self.cbModel.blockSignals(False) |
---|
1203 | self.enableModelCombo() |
---|
1204 | self.disableStructureCombo() |
---|
1205 | # Retrieve the list of models |
---|
1206 | model_list = self.master_category_dict[CATEGORY_CUSTOM] |
---|
1207 | # Populate the models combobox |
---|
1208 | self.cbModel.addItems(sorted([model for (model, _) in model_list])) |
---|
1209 | new_index = self.cbModel.findText(current_text) |
---|
1210 | if new_index != -1: |
---|
1211 | self.cbModel.setCurrentIndex(self.cbModel.findText(current_text)) |
---|
1212 | |
---|
1213 | def onSelectionChanged(self): |
---|
1214 | """ |
---|
1215 | React to parameter selection |
---|
1216 | """ |
---|
1217 | rows = self.lstParams.selectionModel().selectedRows() |
---|
1218 | # Clean previous messages |
---|
1219 | self.communicate.statusBarUpdateSignal.emit("") |
---|
1220 | if len(rows) == 1: |
---|
1221 | # Show constraint, if present |
---|
1222 | row = rows[0].row() |
---|
1223 | if not self.rowHasConstraint(row): |
---|
1224 | return |
---|
1225 | constr = self.getConstraintForRow(row) |
---|
1226 | func = self.getConstraintForRow(row).func |
---|
1227 | if constr.func is not None: |
---|
1228 | # inter-parameter constraint |
---|
1229 | update_text = "Active constraint: "+func |
---|
1230 | elif constr.param == rows[0].data(): |
---|
1231 | # current value constraint |
---|
1232 | update_text = "Value constrained to: " + str(constr.value) |
---|
1233 | else: |
---|
1234 | # ill defined constraint |
---|
1235 | return |
---|
1236 | self.communicate.statusBarUpdateSignal.emit(update_text) |
---|
1237 | |
---|
1238 | def replaceConstraintName(self, old_name, new_name=""): |
---|
1239 | """ |
---|
1240 | Replace names of models in defined constraints |
---|
1241 | """ |
---|
1242 | param_number = self._model_model.rowCount() |
---|
1243 | # loop over parameters |
---|
1244 | for row in range(param_number): |
---|
1245 | if self.rowHasConstraint(row): |
---|
1246 | func = self._model_model.item(row, 1).child(0).data().func |
---|
1247 | if old_name in func: |
---|
1248 | new_func = func.replace(old_name, new_name) |
---|
1249 | self._model_model.item(row, 1).child(0).data().func = new_func |
---|
1250 | |
---|
1251 | def isConstraintMultimodel(self, constraint): |
---|
1252 | """ |
---|
1253 | Check if the constraint function text contains current model name |
---|
1254 | """ |
---|
1255 | current_model_name = self.kernel_module.name |
---|
1256 | if current_model_name in constraint: |
---|
1257 | return False |
---|
1258 | else: |
---|
1259 | return True |
---|
1260 | |
---|
1261 | def updateData(self): |
---|
1262 | """ |
---|
1263 | Helper function for recalculation of data used in plotting |
---|
1264 | """ |
---|
1265 | # Update the chart |
---|
1266 | if self.data_is_loaded: |
---|
1267 | self.cmdPlot.setText("Show Plot") |
---|
1268 | self.calculateQGridForModel() |
---|
1269 | else: |
---|
1270 | self.cmdPlot.setText("Calculate") |
---|
1271 | # Create default datasets if no data passed |
---|
1272 | self.createDefaultDataset() |
---|
1273 | self.theory_item = None # ensure theory is recalc. before plot, see showTheoryPlot() |
---|
1274 | |
---|
1275 | def respondToModelStructure(self, model=None, structure_factor=None): |
---|
1276 | # Set enablement on calculate/plot |
---|
1277 | self.cmdPlot.setEnabled(True) |
---|
1278 | |
---|
1279 | # kernel parameters -> model_model |
---|
1280 | self.SASModelToQModel(model, structure_factor) |
---|
1281 | |
---|
1282 | # Enable magnetism checkbox for selected models |
---|
1283 | self.chkMagnetism.setEnabled(self.canHaveMagnetism()) |
---|
1284 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, self.chkMagnetism.isChecked() and self.canHaveMagnetism()) |
---|
1285 | |
---|
1286 | # Update column widths |
---|
1287 | for column, width in self.lstParamHeaderSizes.items(): |
---|
1288 | self.lstParams.setColumnWidth(column, width) |
---|
1289 | |
---|
1290 | # Update plot |
---|
1291 | self.updateData() |
---|
1292 | |
---|
1293 | # Update state stack |
---|
1294 | self.updateUndo() |
---|
1295 | |
---|
1296 | # Let others know |
---|
1297 | self.newModelSignal.emit() |
---|
1298 | |
---|
1299 | def onSelectCategory(self): |
---|
1300 | """ |
---|
1301 | Select Category from list |
---|
1302 | """ |
---|
1303 | category = self.cbCategory.currentText() |
---|
1304 | # Check if the user chose "Choose category entry" |
---|
1305 | if category == CATEGORY_DEFAULT: |
---|
1306 | # if the previous category was not the default, keep it. |
---|
1307 | # Otherwise, just return |
---|
1308 | if self._previous_category_index != 0: |
---|
1309 | # We need to block signals, or else state changes on perceived unchanged conditions |
---|
1310 | self.cbCategory.blockSignals(True) |
---|
1311 | self.cbCategory.setCurrentIndex(self._previous_category_index) |
---|
1312 | self.cbCategory.blockSignals(False) |
---|
1313 | return |
---|
1314 | |
---|
1315 | if category == CATEGORY_STRUCTURE: |
---|
1316 | self.disableModelCombo() |
---|
1317 | self.enableStructureCombo() |
---|
1318 | # set the index to 0 |
---|
1319 | self.cbStructureFactor.setCurrentIndex(0) |
---|
1320 | self.model_parameters = None |
---|
1321 | self._model_model.clear() |
---|
1322 | return |
---|
1323 | # Wipe out the parameter model |
---|
1324 | self._model_model.clear() |
---|
1325 | # Safely clear and enable the model combo |
---|
1326 | self.cbModel.blockSignals(True) |
---|
1327 | self.cbModel.clear() |
---|
1328 | self.cbModel.blockSignals(False) |
---|
1329 | self.enableModelCombo() |
---|
1330 | self.disableStructureCombo() |
---|
1331 | |
---|
1332 | self._previous_category_index = self.cbCategory.currentIndex() |
---|
1333 | # Retrieve the list of models |
---|
1334 | model_list = self.master_category_dict[category] |
---|
1335 | # Populate the models combobox |
---|
1336 | self.cbModel.blockSignals(True) |
---|
1337 | self.cbModel.addItem(MODEL_DEFAULT) |
---|
1338 | self.cbModel.addItems(sorted([model for (model, _) in model_list])) |
---|
1339 | self.cbModel.blockSignals(False) |
---|
1340 | |
---|
1341 | def onPolyModelChange(self, top, bottom): |
---|
1342 | """ |
---|
1343 | Callback method for updating the main model and sasmodel |
---|
1344 | parameters with the GUI values in the polydispersity view |
---|
1345 | """ |
---|
1346 | item = self._poly_model.itemFromIndex(top) |
---|
1347 | model_column = item.column() |
---|
1348 | model_row = item.row() |
---|
1349 | name_index = self._poly_model.index(model_row, 0) |
---|
1350 | parameter_name = str(name_index.data()) # "distribution of sld" etc. |
---|
1351 | if "istribution of" in parameter_name: |
---|
1352 | # just the last word |
---|
1353 | parameter_name = parameter_name.rsplit()[-1] |
---|
1354 | |
---|
1355 | delegate = self.lstPoly.itemDelegate() |
---|
1356 | |
---|
1357 | # Extract changed value. |
---|
1358 | if model_column == delegate.poly_parameter: |
---|
1359 | # Is the parameter checked for fitting? |
---|
1360 | value = item.checkState() |
---|
1361 | parameter_name = parameter_name + '.width' |
---|
1362 | if value == QtCore.Qt.Checked: |
---|
1363 | self.poly_params_to_fit.append(parameter_name) |
---|
1364 | else: |
---|
1365 | if parameter_name in self.poly_params_to_fit: |
---|
1366 | self.poly_params_to_fit.remove(parameter_name) |
---|
1367 | self.cmdFit.setEnabled(self.haveParamsToFit()) |
---|
1368 | |
---|
1369 | elif model_column in [delegate.poly_min, delegate.poly_max]: |
---|
1370 | try: |
---|
1371 | value = GuiUtils.toDouble(item.text()) |
---|
1372 | except TypeError: |
---|
1373 | # Can't be converted properly, bring back the old value and exit |
---|
1374 | return |
---|
1375 | |
---|
1376 | current_details = self.kernel_module.details[parameter_name] |
---|
1377 | if self.has_poly_error_column: |
---|
1378 | # err column changes the indexing |
---|
1379 | current_details[model_column-2] = value |
---|
1380 | else: |
---|
1381 | current_details[model_column-1] = value |
---|
1382 | |
---|
1383 | elif model_column == delegate.poly_function: |
---|
1384 | # name of the function - just pass |
---|
1385 | pass |
---|
1386 | |
---|
1387 | else: |
---|
1388 | try: |
---|
1389 | value = GuiUtils.toDouble(item.text()) |
---|
1390 | except TypeError: |
---|
1391 | # Can't be converted properly, bring back the old value and exit |
---|
1392 | return |
---|
1393 | |
---|
1394 | # Update the sasmodel |
---|
1395 | # PD[ratio] -> width, npts -> npts, nsigs -> nsigmas |
---|
1396 | #self.kernel_module.setParam(parameter_name + '.' + delegate.columnDict()[model_column], value) |
---|
1397 | key = parameter_name + '.' + delegate.columnDict()[model_column] |
---|
1398 | self.poly_params[key] = value |
---|
1399 | |
---|
1400 | # Update plot |
---|
1401 | self.updateData() |
---|
1402 | |
---|
1403 | # update in param model |
---|
1404 | if model_column in [delegate.poly_pd, delegate.poly_error, delegate.poly_min, delegate.poly_max]: |
---|
1405 | row = self.getRowFromName(parameter_name) |
---|
1406 | param_item = self._model_model.item(row).child(0).child(0, model_column) |
---|
1407 | if param_item is None: |
---|
1408 | return |
---|
1409 | self._model_model.blockSignals(True) |
---|
1410 | param_item.setText(item.text()) |
---|
1411 | self._model_model.blockSignals(False) |
---|
1412 | |
---|
1413 | def onMagnetModelChange(self, top, bottom): |
---|
1414 | """ |
---|
1415 | Callback method for updating the sasmodel magnetic parameters with the GUI values |
---|
1416 | """ |
---|
1417 | item = self._magnet_model.itemFromIndex(top) |
---|
1418 | model_column = item.column() |
---|
1419 | model_row = item.row() |
---|
1420 | name_index = self._magnet_model.index(model_row, 0) |
---|
1421 | parameter_name = str(self._magnet_model.data(name_index)) |
---|
1422 | |
---|
1423 | if model_column == 0: |
---|
1424 | value = item.checkState() |
---|
1425 | if value == QtCore.Qt.Checked: |
---|
1426 | self.magnet_params_to_fit.append(parameter_name) |
---|
1427 | else: |
---|
1428 | if parameter_name in self.magnet_params_to_fit: |
---|
1429 | self.magnet_params_to_fit.remove(parameter_name) |
---|
1430 | self.cmdFit.setEnabled(self.haveParamsToFit()) |
---|
1431 | # Update state stack |
---|
1432 | self.updateUndo() |
---|
1433 | return |
---|
1434 | |
---|
1435 | # Extract changed value. |
---|
1436 | try: |
---|
1437 | value = GuiUtils.toDouble(item.text()) |
---|
1438 | except TypeError: |
---|
1439 | # Unparsable field |
---|
1440 | return |
---|
1441 | delegate = self.lstMagnetic.itemDelegate() |
---|
1442 | |
---|
1443 | if model_column > 1: |
---|
1444 | if model_column == delegate.mag_min: |
---|
1445 | pos = 1 |
---|
1446 | elif model_column == delegate.mag_max: |
---|
1447 | pos = 2 |
---|
1448 | elif model_column == delegate.mag_unit: |
---|
1449 | pos = 0 |
---|
1450 | else: |
---|
1451 | raise AttributeError("Wrong column in magnetism table.") |
---|
1452 | # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf] |
---|
1453 | self.kernel_module.details[parameter_name][pos] = value |
---|
1454 | else: |
---|
1455 | self.magnet_params[parameter_name] = value |
---|
1456 | #self.kernel_module.setParam(parameter_name) = value |
---|
1457 | # Force the chart update when actual parameters changed |
---|
1458 | self.recalculatePlotData() |
---|
1459 | |
---|
1460 | # Update state stack |
---|
1461 | self.updateUndo() |
---|
1462 | |
---|
1463 | def onHelp(self): |
---|
1464 | """ |
---|
1465 | Show the "Fitting" section of help |
---|
1466 | """ |
---|
1467 | tree_location = "/user/qtgui/Perspectives/Fitting/" |
---|
1468 | |
---|
1469 | # Actual file will depend on the current tab |
---|
1470 | tab_id = self.tabFitting.currentIndex() |
---|
1471 | helpfile = "fitting.html" |
---|
1472 | if tab_id == 0: |
---|
1473 | # Look at the model and if set, pull out its help page |
---|
1474 | if self.kernel_module is not None and hasattr(self.kernel_module, 'name'): |
---|
1475 | # See if the help file is there |
---|
1476 | # This breaks encapsulation a bit, though. |
---|
1477 | full_path = GuiUtils.HELP_DIRECTORY_LOCATION |
---|
1478 | sas_path = os.path.abspath(os.path.dirname(sys.argv[0])) |
---|
1479 | location = sas_path + "/" + full_path |
---|
1480 | location += "/user/models/" + self.kernel_module.id + ".html" |
---|
1481 | if os.path.isfile(location): |
---|
1482 | # We have HTML for this model - show it |
---|
1483 | tree_location = "/user/models/" |
---|
1484 | helpfile = self.kernel_module.id + ".html" |
---|
1485 | else: |
---|
1486 | helpfile = "fitting_help.html" |
---|
1487 | elif tab_id == 1: |
---|
1488 | helpfile = "residuals_help.html" |
---|
1489 | elif tab_id == 2: |
---|
1490 | helpfile = "resolution.html" |
---|
1491 | elif tab_id == 3: |
---|
1492 | helpfile = "pd/polydispersity.html" |
---|
1493 | elif tab_id == 4: |
---|
1494 | helpfile = "magnetism/magnetism.html" |
---|
1495 | help_location = tree_location + helpfile |
---|
1496 | |
---|
1497 | self.showHelp(help_location) |
---|
1498 | |
---|
1499 | def showHelp(self, url): |
---|
1500 | """ |
---|
1501 | Calls parent's method for opening an HTML page |
---|
1502 | """ |
---|
1503 | self.parent.showHelp(url) |
---|
1504 | |
---|
1505 | def onDisplayMagneticAngles(self): |
---|
1506 | """ |
---|
1507 | Display a simple image showing direction of magnetic angles |
---|
1508 | """ |
---|
1509 | self.magneticAnglesWidget.show() |
---|
1510 | |
---|
1511 | def onFit(self): |
---|
1512 | """ |
---|
1513 | Perform fitting on the current data |
---|
1514 | """ |
---|
1515 | if self.fit_started: |
---|
1516 | self.stopFit() |
---|
1517 | return |
---|
1518 | |
---|
1519 | # initialize fitter constants |
---|
1520 | fit_id = 0 |
---|
1521 | handler = None |
---|
1522 | batch_inputs = {} |
---|
1523 | batch_outputs = {} |
---|
1524 | #--------------------------------- |
---|
1525 | if LocalConfig.USING_TWISTED: |
---|
1526 | handler = None |
---|
1527 | updater = None |
---|
1528 | else: |
---|
1529 | handler = ConsoleUpdate(parent=self.parent, |
---|
1530 | manager=self, |
---|
1531 | improvement_delta=0.1) |
---|
1532 | updater = handler.update_fit |
---|
1533 | |
---|
1534 | # Prepare the fitter object |
---|
1535 | try: |
---|
1536 | fitters, _ = self.prepareFitters() |
---|
1537 | except ValueError as ex: |
---|
1538 | # This should not happen! GUI explicitly forbids this situation |
---|
1539 | self.communicate.statusBarUpdateSignal.emit(str(ex)) |
---|
1540 | return |
---|
1541 | |
---|
1542 | # keep local copy of kernel parameters, as they will change during the update |
---|
1543 | self.kernel_module_copy = copy.deepcopy(self.kernel_module) |
---|
1544 | |
---|
1545 | # Create the fitting thread, based on the fitter |
---|
1546 | completefn = self.batchFittingCompleted if self.is_batch_fitting else self.fittingCompleted |
---|
1547 | |
---|
1548 | self.calc_fit = FitThread(handler=handler, |
---|
1549 | fn=fitters, |
---|
1550 | batch_inputs=batch_inputs, |
---|
1551 | batch_outputs=batch_outputs, |
---|
1552 | page_id=[[self.page_id]], |
---|
1553 | updatefn=updater, |
---|
1554 | completefn=completefn, |
---|
1555 | reset_flag=self.is_chain_fitting) |
---|
1556 | |
---|
1557 | if LocalConfig.USING_TWISTED: |
---|
1558 | # start the trhrhread with twisted |
---|
1559 | calc_thread = threads.deferToThread(self.calc_fit.compute) |
---|
1560 | calc_thread.addCallback(completefn) |
---|
1561 | calc_thread.addErrback(self.fitFailed) |
---|
1562 | else: |
---|
1563 | # Use the old python threads + Queue |
---|
1564 | self.calc_fit.queue() |
---|
1565 | self.calc_fit.ready(2.5) |
---|
1566 | |
---|
1567 | self.communicate.statusBarUpdateSignal.emit('Fitting started...') |
---|
1568 | self.fit_started = True |
---|
1569 | |
---|
1570 | # Disable some elements |
---|
1571 | self.disableInteractiveElements() |
---|
1572 | |
---|
1573 | def stopFit(self): |
---|
1574 | """ |
---|
1575 | Attempt to stop the fitting thread |
---|
1576 | """ |
---|
1577 | if self.calc_fit is None or not self.calc_fit.isrunning(): |
---|
1578 | return |
---|
1579 | self.calc_fit.stop() |
---|
1580 | #re-enable the Fit button |
---|
1581 | self.enableInteractiveElements() |
---|
1582 | |
---|
1583 | msg = "Fitting cancelled." |
---|
1584 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
1585 | |
---|
1586 | def updateFit(self): |
---|
1587 | """ |
---|
1588 | """ |
---|
1589 | print("UPDATE FIT") |
---|
1590 | pass |
---|
1591 | |
---|
1592 | def fitFailed(self, reason): |
---|
1593 | """ |
---|
1594 | """ |
---|
1595 | self.enableInteractiveElements() |
---|
1596 | msg = "Fitting failed with: "+ str(reason) |
---|
1597 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
1598 | |
---|
1599 | def batchFittingCompleted(self, result): |
---|
1600 | """ |
---|
1601 | Send the finish message from calculate threads to main thread |
---|
1602 | """ |
---|
1603 | if result is None: |
---|
1604 | result = tuple() |
---|
1605 | self.batchFittingFinishedSignal.emit(result) |
---|
1606 | |
---|
1607 | def batchFitComplete(self, result): |
---|
1608 | """ |
---|
1609 | Receive and display batch fitting results |
---|
1610 | """ |
---|
1611 | #re-enable the Fit button |
---|
1612 | self.enableInteractiveElements() |
---|
1613 | |
---|
1614 | if len(result) == 0: |
---|
1615 | msg = "Fitting failed." |
---|
1616 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
1617 | return |
---|
1618 | |
---|
1619 | # Show the grid panel |
---|
1620 | page_name = "BatchPage" + str(self.tab_id) |
---|
1621 | results = copy.deepcopy(result[0]) |
---|
1622 | results.append(page_name) |
---|
1623 | self.communicate.sendDataToGridSignal.emit(results) |
---|
1624 | |
---|
1625 | elapsed = result[1] |
---|
1626 | msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed) |
---|
1627 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
1628 | |
---|
1629 | # Run over the list of results and update the items |
---|
1630 | for res_index, res_list in enumerate(result[0]): |
---|
1631 | # results |
---|
1632 | res = res_list[0] |
---|
1633 | param_dict = self.paramDictFromResults(res) |
---|
1634 | |
---|
1635 | # create local kernel_module |
---|
1636 | kernel_module = FittingUtilities.updateKernelWithResults(self.kernel_module, param_dict) |
---|
1637 | # pull out current data |
---|
1638 | data = self._logic[res_index].data |
---|
1639 | |
---|
1640 | # Switch indexes |
---|
1641 | self.data_index = res_index |
---|
1642 | # Recompute Q ranges |
---|
1643 | if self.data_is_loaded: |
---|
1644 | self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange() |
---|
1645 | |
---|
1646 | # Recalculate theories |
---|
1647 | method = self.complete1D if isinstance(self.data, Data1D) else self.complete2D |
---|
1648 | self.calculateQGridForModelExt(data=data, model=kernel_module, completefn=method, use_threads=False) |
---|
1649 | |
---|
1650 | # Restore original kernel_module, so subsequent fits on the same model don't pick up the new params |
---|
1651 | if self.kernel_module is not None: |
---|
1652 | self.kernel_module = copy.deepcopy(self.kernel_module_copy) |
---|
1653 | |
---|
1654 | def paramDictFromResults(self, results): |
---|
1655 | """ |
---|
1656 | Given the fit results structure, pull out optimized parameters and return them as nicely |
---|
1657 | formatted dict |
---|
1658 | """ |
---|
1659 | if results.fitness is None or \ |
---|
1660 | not np.isfinite(results.fitness) or \ |
---|
1661 | np.any(results.pvec is None) or \ |
---|
1662 | not np.all(np.isfinite(results.pvec)): |
---|
1663 | msg = "Fitting did not converge!" |
---|
1664 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
1665 | msg += results.mesg |
---|
1666 | logger.error(msg) |
---|
1667 | return |
---|
1668 | |
---|
1669 | param_list = results.param_list # ['radius', 'radius.width'] |
---|
1670 | param_values = results.pvec # array([ 0.36221662, 0.0146783 ]) |
---|
1671 | param_stderr = results.stderr # array([ 1.71293015, 1.71294233]) |
---|
1672 | params_and_errors = list(zip(param_values, param_stderr)) |
---|
1673 | param_dict = dict(zip(param_list, params_and_errors)) |
---|
1674 | |
---|
1675 | return param_dict |
---|
1676 | |
---|
1677 | def fittingCompleted(self, result): |
---|
1678 | """ |
---|
1679 | Send the finish message from calculate threads to main thread |
---|
1680 | """ |
---|
1681 | if result is None: |
---|
1682 | result = tuple() |
---|
1683 | self.fittingFinishedSignal.emit(result) |
---|
1684 | |
---|
1685 | def fitComplete(self, result): |
---|
1686 | """ |
---|
1687 | Receive and display fitting results |
---|
1688 | "result" is a tuple of actual result list and the fit time in seconds |
---|
1689 | """ |
---|
1690 | #re-enable the Fit button |
---|
1691 | self.enableInteractiveElements() |
---|
1692 | |
---|
1693 | if len(result) == 0: |
---|
1694 | msg = "Fitting failed." |
---|
1695 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
1696 | return |
---|
1697 | |
---|
1698 | res_list = result[0][0] |
---|
1699 | res = res_list[0] |
---|
1700 | self.chi2 = res.fitness |
---|
1701 | param_dict = self.paramDictFromResults(res) |
---|
1702 | |
---|
1703 | if param_dict is None: |
---|
1704 | return |
---|
1705 | self.communicate.resultPlotUpdateSignal.emit(result[0]) |
---|
1706 | |
---|
1707 | elapsed = result[1] |
---|
1708 | if self.calc_fit is not None and self.calc_fit._interrupting: |
---|
1709 | msg = "Fitting cancelled by user after: %s s." % GuiUtils.formatNumber(elapsed) |
---|
1710 | logger.warning("\n"+msg+"\n") |
---|
1711 | else: |
---|
1712 | msg = "Fitting completed successfully in: %s s." % GuiUtils.formatNumber(elapsed) |
---|
1713 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
1714 | |
---|
1715 | # Dictionary of fitted parameter: value, error |
---|
1716 | # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)} |
---|
1717 | self.updateModelFromList(param_dict) |
---|
1718 | |
---|
1719 | self.updatePolyModelFromList(param_dict) |
---|
1720 | |
---|
1721 | self.updateMagnetModelFromList(param_dict) |
---|
1722 | |
---|
1723 | # update charts |
---|
1724 | self.onPlot() |
---|
1725 | #self.recalculatePlotData() |
---|
1726 | |
---|
1727 | |
---|
1728 | # Read only value - we can get away by just printing it here |
---|
1729 | chi2_repr = GuiUtils.formatNumber(self.chi2, high=True) |
---|
1730 | self.lblChi2Value.setText(chi2_repr) |
---|
1731 | |
---|
1732 | def prepareFitters(self, fitter=None, fit_id=0): |
---|
1733 | """ |
---|
1734 | Prepare the Fitter object for use in fitting |
---|
1735 | """ |
---|
1736 | # fitter = None -> single/batch fitting |
---|
1737 | # fitter = Fit() -> simultaneous fitting |
---|
1738 | |
---|
1739 | # Data going in |
---|
1740 | data = self.logic.data |
---|
1741 | model = copy.deepcopy(self.kernel_module) |
---|
1742 | qmin = self.q_range_min |
---|
1743 | qmax = self.q_range_max |
---|
1744 | # add polydisperse/magnet parameters if asked |
---|
1745 | self.updateKernelModelWithExtraParams(model) |
---|
1746 | |
---|
1747 | params_to_fit = copy.deepcopy(self.main_params_to_fit) |
---|
1748 | if self.chkPolydispersity.isChecked(): |
---|
1749 | params_to_fit += self.poly_params_to_fit |
---|
1750 | if self.chkMagnetism.isChecked() and self.canHaveMagnetism(): |
---|
1751 | params_to_fit += self.magnet_params_to_fit |
---|
1752 | if not params_to_fit: |
---|
1753 | raise ValueError('Fitting requires at least one parameter to optimize.') |
---|
1754 | |
---|
1755 | # Get the constraints. |
---|
1756 | constraints = self.getComplexConstraintsForModel() |
---|
1757 | if fitter is None: |
---|
1758 | # For single fits - check for inter-model constraints |
---|
1759 | constraints = self.getConstraintsForFitting() |
---|
1760 | |
---|
1761 | smearer = self.smearing_widget.smearer() |
---|
1762 | handler = None |
---|
1763 | batch_inputs = {} |
---|
1764 | batch_outputs = {} |
---|
1765 | |
---|
1766 | fitters = [] |
---|
1767 | for fit_index in self.all_data: |
---|
1768 | fitter_single = Fit() if fitter is None else fitter |
---|
1769 | data = GuiUtils.dataFromItem(fit_index) |
---|
1770 | # Potential weights added directly to data |
---|
1771 | weighted_data = self.addWeightingToData(data) |
---|
1772 | try: |
---|
1773 | fitter_single.set_model(model, fit_id, params_to_fit, data=weighted_data, |
---|
1774 | constraints=constraints) |
---|
1775 | except ValueError as ex: |
---|
1776 | raise ValueError("Setting model parameters failed with: %s" % ex) |
---|
1777 | |
---|
1778 | fitter_single.set_data(data=weighted_data, id=fit_id, smearer=smearer, qmin=qmin, |
---|
1779 | qmax=qmax) |
---|
1780 | fitter_single.select_problem_for_fit(id=fit_id, value=1) |
---|
1781 | if fitter is None: |
---|
1782 | # Assign id to the new fitter only |
---|
1783 | fitter_single.fitter_id = [self.page_id] |
---|
1784 | fit_id += 1 |
---|
1785 | fitters.append(fitter_single) |
---|
1786 | |
---|
1787 | return fitters, fit_id |
---|
1788 | |
---|
1789 | def iterateOverModel(self, func): |
---|
1790 | """ |
---|
1791 | Take func and throw it inside the model row loop |
---|
1792 | """ |
---|
1793 | for row_i in range(self._model_model.rowCount()): |
---|
1794 | func(row_i) |
---|
1795 | |
---|
1796 | def updateModelFromList(self, param_dict): |
---|
1797 | """ |
---|
1798 | Update the model with new parameters, create the errors column |
---|
1799 | """ |
---|
1800 | assert isinstance(param_dict, dict) |
---|
1801 | if not dict: |
---|
1802 | return |
---|
1803 | |
---|
1804 | def updateFittedValues(row): |
---|
1805 | # Utility function for main model update |
---|
1806 | # internal so can use closure for param_dict |
---|
1807 | param_name = str(self._model_model.item(row, 0).text()) |
---|
1808 | if not self.isCheckable(row) or param_name not in list(param_dict.keys()): |
---|
1809 | return |
---|
1810 | # modify the param value |
---|
1811 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
1812 | self._model_model.item(row, 1).setText(param_repr) |
---|
1813 | self.kernel_module.setParam(param_name, param_dict[param_name][0]) |
---|
1814 | if self.has_error_column: |
---|
1815 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
1816 | self._model_model.item(row, 2).setText(error_repr) |
---|
1817 | |
---|
1818 | def updatePolyValues(row): |
---|
1819 | # Utility function for updateof polydispersity part of the main model |
---|
1820 | param_name = str(self._model_model.item(row, 0).text())+'.width' |
---|
1821 | if not self.isCheckable(row) or param_name not in list(param_dict.keys()): |
---|
1822 | return |
---|
1823 | # modify the param value |
---|
1824 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
1825 | self._model_model.item(row, 0).child(0).child(0,1).setText(param_repr) |
---|
1826 | # modify the param error |
---|
1827 | if self.has_error_column: |
---|
1828 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
1829 | self._model_model.item(row, 0).child(0).child(0,2).setText(error_repr) |
---|
1830 | |
---|
1831 | def createErrorColumn(row): |
---|
1832 | # Utility function for error column update |
---|
1833 | item = QtGui.QStandardItem() |
---|
1834 | def createItem(param_name): |
---|
1835 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
1836 | item.setText(error_repr) |
---|
1837 | def curr_param(): |
---|
1838 | return str(self._model_model.item(row, 0).text()) |
---|
1839 | |
---|
1840 | [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name] |
---|
1841 | |
---|
1842 | error_column.append(item) |
---|
1843 | |
---|
1844 | def createPolyErrorColumn(row): |
---|
1845 | # Utility function for error column update in the polydispersity sub-rows |
---|
1846 | # NOTE: only creates empty items; updatePolyValues adds the error value |
---|
1847 | item = self._model_model.item(row, 0) |
---|
1848 | if not item.hasChildren(): |
---|
1849 | return |
---|
1850 | poly_item = item.child(0) |
---|
1851 | if not poly_item.hasChildren(): |
---|
1852 | return |
---|
1853 | poly_item.insertColumn(2, [QtGui.QStandardItem("")]) |
---|
1854 | |
---|
1855 | if not self.has_error_column: |
---|
1856 | # create top-level error column |
---|
1857 | error_column = [] |
---|
1858 | self.lstParams.itemDelegate().addErrorColumn() |
---|
1859 | self.iterateOverModel(createErrorColumn) |
---|
1860 | |
---|
1861 | self._model_model.insertColumn(2, error_column) |
---|
1862 | |
---|
1863 | FittingUtilities.addErrorHeadersToModel(self._model_model) |
---|
1864 | |
---|
1865 | # create error column in polydispersity sub-rows |
---|
1866 | self.iterateOverModel(createPolyErrorColumn) |
---|
1867 | |
---|
1868 | self.has_error_column = True |
---|
1869 | |
---|
1870 | # block signals temporarily, so we don't end up |
---|
1871 | # updating charts with every single model change on the end of fitting |
---|
1872 | self._model_model.dataChanged.disconnect() |
---|
1873 | self.iterateOverModel(updateFittedValues) |
---|
1874 | self.iterateOverModel(updatePolyValues) |
---|
1875 | self._model_model.dataChanged.connect(self.onMainParamsChange) |
---|
1876 | |
---|
1877 | def iterateOverPolyModel(self, func): |
---|
1878 | """ |
---|
1879 | Take func and throw it inside the poly model row loop |
---|
1880 | """ |
---|
1881 | for row_i in range(self._poly_model.rowCount()): |
---|
1882 | func(row_i) |
---|
1883 | |
---|
1884 | def updatePolyModelFromList(self, param_dict): |
---|
1885 | """ |
---|
1886 | Update the polydispersity model with new parameters, create the errors column |
---|
1887 | """ |
---|
1888 | assert isinstance(param_dict, dict) |
---|
1889 | if not dict: |
---|
1890 | return |
---|
1891 | |
---|
1892 | def updateFittedValues(row_i): |
---|
1893 | # Utility function for main model update |
---|
1894 | # internal so can use closure for param_dict |
---|
1895 | if row_i >= self._poly_model.rowCount(): |
---|
1896 | return |
---|
1897 | param_name = str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width' |
---|
1898 | if param_name not in list(param_dict.keys()): |
---|
1899 | return |
---|
1900 | # modify the param value |
---|
1901 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
1902 | self._poly_model.item(row_i, 1).setText(param_repr) |
---|
1903 | self.kernel_module.setParam(param_name, param_dict[param_name][0]) |
---|
1904 | if self.has_poly_error_column: |
---|
1905 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
1906 | self._poly_model.item(row_i, 2).setText(error_repr) |
---|
1907 | |
---|
1908 | def createErrorColumn(row_i): |
---|
1909 | # Utility function for error column update |
---|
1910 | if row_i >= self._poly_model.rowCount(): |
---|
1911 | return |
---|
1912 | item = QtGui.QStandardItem() |
---|
1913 | |
---|
1914 | def createItem(param_name): |
---|
1915 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
1916 | item.setText(error_repr) |
---|
1917 | |
---|
1918 | def poly_param(): |
---|
1919 | return str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width' |
---|
1920 | |
---|
1921 | [createItem(param_name) for param_name in list(param_dict.keys()) if poly_param() == param_name] |
---|
1922 | |
---|
1923 | error_column.append(item) |
---|
1924 | |
---|
1925 | # block signals temporarily, so we don't end up |
---|
1926 | # updating charts with every single model change on the end of fitting |
---|
1927 | self._poly_model.dataChanged.disconnect() |
---|
1928 | self.iterateOverPolyModel(updateFittedValues) |
---|
1929 | self._poly_model.dataChanged.connect(self.onPolyModelChange) |
---|
1930 | |
---|
1931 | if self.has_poly_error_column: |
---|
1932 | return |
---|
1933 | |
---|
1934 | self.lstPoly.itemDelegate().addErrorColumn() |
---|
1935 | error_column = [] |
---|
1936 | self.iterateOverPolyModel(createErrorColumn) |
---|
1937 | |
---|
1938 | # switch off reponse to model change |
---|
1939 | self._poly_model.insertColumn(2, error_column) |
---|
1940 | FittingUtilities.addErrorPolyHeadersToModel(self._poly_model) |
---|
1941 | |
---|
1942 | self.has_poly_error_column = True |
---|
1943 | |
---|
1944 | def iterateOverMagnetModel(self, func): |
---|
1945 | """ |
---|
1946 | Take func and throw it inside the magnet model row loop |
---|
1947 | """ |
---|
1948 | for row_i in range(self._magnet_model.rowCount()): |
---|
1949 | func(row_i) |
---|
1950 | |
---|
1951 | def updateMagnetModelFromList(self, param_dict): |
---|
1952 | """ |
---|
1953 | Update the magnetic model with new parameters, create the errors column |
---|
1954 | """ |
---|
1955 | assert isinstance(param_dict, dict) |
---|
1956 | if not dict: |
---|
1957 | return |
---|
1958 | if self._magnet_model.rowCount() == 0: |
---|
1959 | return |
---|
1960 | |
---|
1961 | def updateFittedValues(row): |
---|
1962 | # Utility function for main model update |
---|
1963 | # internal so can use closure for param_dict |
---|
1964 | if self._magnet_model.item(row, 0) is None: |
---|
1965 | return |
---|
1966 | param_name = str(self._magnet_model.item(row, 0).text()) |
---|
1967 | if param_name not in list(param_dict.keys()): |
---|
1968 | return |
---|
1969 | # modify the param value |
---|
1970 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
1971 | self._magnet_model.item(row, 1).setText(param_repr) |
---|
1972 | self.kernel_module.setParam(param_name, param_dict[param_name][0]) |
---|
1973 | if self.has_magnet_error_column: |
---|
1974 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
1975 | self._magnet_model.item(row, 2).setText(error_repr) |
---|
1976 | |
---|
1977 | def createErrorColumn(row): |
---|
1978 | # Utility function for error column update |
---|
1979 | item = QtGui.QStandardItem() |
---|
1980 | def createItem(param_name): |
---|
1981 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
1982 | item.setText(error_repr) |
---|
1983 | def curr_param(): |
---|
1984 | return str(self._magnet_model.item(row, 0).text()) |
---|
1985 | |
---|
1986 | [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name] |
---|
1987 | |
---|
1988 | error_column.append(item) |
---|
1989 | |
---|
1990 | # block signals temporarily, so we don't end up |
---|
1991 | # updating charts with every single model change on the end of fitting |
---|
1992 | self._magnet_model.dataChanged.disconnect() |
---|
1993 | self.iterateOverMagnetModel(updateFittedValues) |
---|
1994 | self._magnet_model.dataChanged.connect(self.onMagnetModelChange) |
---|
1995 | |
---|
1996 | if self.has_magnet_error_column: |
---|
1997 | return |
---|
1998 | |
---|
1999 | self.lstMagnetic.itemDelegate().addErrorColumn() |
---|
2000 | error_column = [] |
---|
2001 | self.iterateOverMagnetModel(createErrorColumn) |
---|
2002 | |
---|
2003 | # switch off reponse to model change |
---|
2004 | self._magnet_model.insertColumn(2, error_column) |
---|
2005 | FittingUtilities.addErrorHeadersToModel(self._magnet_model) |
---|
2006 | |
---|
2007 | self.has_magnet_error_column = True |
---|
2008 | |
---|
2009 | def onPlot(self): |
---|
2010 | """ |
---|
2011 | Plot the current set of data |
---|
2012 | """ |
---|
2013 | # Regardless of previous state, this should now be `plot show` functionality only |
---|
2014 | self.cmdPlot.setText("Show Plot") |
---|
2015 | # Force data recalculation so existing charts are updated |
---|
2016 | if not self.data_is_loaded: |
---|
2017 | self.showTheoryPlot() |
---|
2018 | else: |
---|
2019 | self.showPlot() |
---|
2020 | # This is an important processEvent. |
---|
2021 | # This allows charts to be properly updated in order |
---|
2022 | # of plots being applied. |
---|
2023 | QtWidgets.QApplication.processEvents() |
---|
2024 | self.recalculatePlotData() # recalc+plot theory again (2nd) |
---|
2025 | |
---|
2026 | def onSmearingOptionsUpdate(self): |
---|
2027 | """ |
---|
2028 | React to changes in the smearing widget |
---|
2029 | """ |
---|
2030 | # update display |
---|
2031 | smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() |
---|
2032 | self.lblCurrentSmearing.setText(smearing) |
---|
2033 | self.calculateQGridForModel() |
---|
2034 | |
---|
2035 | def recalculatePlotData(self): |
---|
2036 | """ |
---|
2037 | Generate a new dataset for model |
---|
2038 | """ |
---|
2039 | if not self.data_is_loaded: |
---|
2040 | self.createDefaultDataset() |
---|
2041 | self.smearing_widget.updateData(self.data) |
---|
2042 | self.calculateQGridForModel() |
---|
2043 | |
---|
2044 | def showTheoryPlot(self): |
---|
2045 | """ |
---|
2046 | Show the current theory plot in MPL |
---|
2047 | """ |
---|
2048 | # Show the chart if ready |
---|
2049 | if self.theory_item is None: |
---|
2050 | self.recalculatePlotData() |
---|
2051 | elif self.model_data: |
---|
2052 | self._requestPlots(self.model_data.filename, self.theory_item.model()) |
---|
2053 | |
---|
2054 | def showPlot(self): |
---|
2055 | """ |
---|
2056 | Show the current plot in MPL |
---|
2057 | """ |
---|
2058 | # Show the chart if ready |
---|
2059 | data_to_show = self.data |
---|
2060 | # Any models for this page |
---|
2061 | current_index = self.all_data[self.data_index] |
---|
2062 | item = self._requestPlots(self.data.filename, current_index.model()) |
---|
2063 | if item: |
---|
2064 | # fit+data has not been shown - show just data |
---|
2065 | self.communicate.plotRequestedSignal.emit([item, data_to_show], self.tab_id) |
---|
2066 | |
---|
2067 | def _requestPlots(self, item_name, item_model): |
---|
2068 | """ |
---|
2069 | Emits plotRequestedSignal for all plots found in the given model under the provided item name. |
---|
2070 | """ |
---|
2071 | fitpage_name = self.kernel_module.name |
---|
2072 | plots = GuiUtils.plotsFromFilename(item_name, item_model) |
---|
2073 | # Has the fitted data been shown? |
---|
2074 | data_shown = False |
---|
2075 | item = None |
---|
2076 | for item, plot in plots.items(): |
---|
2077 | if fitpage_name in plot.name: |
---|
2078 | data_shown = True |
---|
2079 | self.communicate.plotRequestedSignal.emit([item, plot], self.tab_id) |
---|
2080 | # return the last data item seen, if nothing was plotted; supposed to be just data) |
---|
2081 | return None if data_shown else item |
---|
2082 | |
---|
2083 | def onOptionsUpdate(self): |
---|
2084 | """ |
---|
2085 | Update local option values and replot |
---|
2086 | """ |
---|
2087 | self.q_range_min, self.q_range_max, self.npts, self.log_points, self.weighting = \ |
---|
2088 | self.options_widget.state() |
---|
2089 | # set Q range labels on the main tab |
---|
2090 | self.lblMinRangeDef.setText(GuiUtils.formatNumber(self.q_range_min, high=True)) |
---|
2091 | self.lblMaxRangeDef.setText(GuiUtils.formatNumber(self.q_range_max, high=True)) |
---|
2092 | self.recalculatePlotData() |
---|
2093 | |
---|
2094 | def setDefaultStructureCombo(self): |
---|
2095 | """ |
---|
2096 | Fill in the structure factors combo box with defaults |
---|
2097 | """ |
---|
2098 | structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE) |
---|
2099 | factors = [factor[0] for factor in structure_factor_list] |
---|
2100 | factors.insert(0, STRUCTURE_DEFAULT) |
---|
2101 | self.cbStructureFactor.clear() |
---|
2102 | self.cbStructureFactor.addItems(sorted(factors)) |
---|
2103 | |
---|
2104 | def createDefaultDataset(self): |
---|
2105 | """ |
---|
2106 | Generate default Dataset 1D/2D for the given model |
---|
2107 | """ |
---|
2108 | # Create default datasets if no data passed |
---|
2109 | if self.is2D: |
---|
2110 | qmax = self.q_range_max/np.sqrt(2) |
---|
2111 | qstep = self.npts |
---|
2112 | self.logic.createDefault2dData(qmax, qstep, self.tab_id) |
---|
2113 | return |
---|
2114 | elif self.log_points: |
---|
2115 | qmin = -10.0 if self.q_range_min < 1.e-10 else np.log10(self.q_range_min) |
---|
2116 | qmax = 10.0 if self.q_range_max > 1.e10 else np.log10(self.q_range_max) |
---|
2117 | interval = np.logspace(start=qmin, stop=qmax, num=self.npts, endpoint=True, base=10.0) |
---|
2118 | else: |
---|
2119 | interval = np.linspace(start=self.q_range_min, stop=self.q_range_max, |
---|
2120 | num=self.npts, endpoint=True) |
---|
2121 | self.logic.createDefault1dData(interval, self.tab_id) |
---|
2122 | |
---|
2123 | def readCategoryInfo(self): |
---|
2124 | """ |
---|
2125 | Reads the categories in from file |
---|
2126 | """ |
---|
2127 | self.master_category_dict = defaultdict(list) |
---|
2128 | self.by_model_dict = defaultdict(list) |
---|
2129 | self.model_enabled_dict = defaultdict(bool) |
---|
2130 | |
---|
2131 | categorization_file = CategoryInstaller.get_user_file() |
---|
2132 | if not os.path.isfile(categorization_file): |
---|
2133 | categorization_file = CategoryInstaller.get_default_file() |
---|
2134 | with open(categorization_file, 'rb') as cat_file: |
---|
2135 | self.master_category_dict = json.load(cat_file) |
---|
2136 | self.regenerateModelDict() |
---|
2137 | |
---|
2138 | # Load the model dict |
---|
2139 | models = load_standard_models() |
---|
2140 | for model in models: |
---|
2141 | self.models[model.name] = model |
---|
2142 | |
---|
2143 | self.readCustomCategoryInfo() |
---|
2144 | |
---|
2145 | def readCustomCategoryInfo(self): |
---|
2146 | """ |
---|
2147 | Reads the custom model category |
---|
2148 | """ |
---|
2149 | #Looking for plugins |
---|
2150 | self.plugins = list(self.custom_models.values()) |
---|
2151 | plugin_list = [] |
---|
2152 | for name, plug in self.custom_models.items(): |
---|
2153 | self.models[name] = plug |
---|
2154 | plugin_list.append([name, True]) |
---|
2155 | if plugin_list: |
---|
2156 | self.master_category_dict[CATEGORY_CUSTOM] = plugin_list |
---|
2157 | |
---|
2158 | def regenerateModelDict(self): |
---|
2159 | """ |
---|
2160 | Regenerates self.by_model_dict which has each model name as the |
---|
2161 | key and the list of categories belonging to that model |
---|
2162 | along with the enabled mapping |
---|
2163 | """ |
---|
2164 | self.by_model_dict = defaultdict(list) |
---|
2165 | for category in self.master_category_dict: |
---|
2166 | for (model, enabled) in self.master_category_dict[category]: |
---|
2167 | self.by_model_dict[model].append(category) |
---|
2168 | self.model_enabled_dict[model] = enabled |
---|
2169 | |
---|
2170 | def addBackgroundToModel(self, model): |
---|
2171 | """ |
---|
2172 | Adds background parameter with default values to the model |
---|
2173 | """ |
---|
2174 | assert isinstance(model, QtGui.QStandardItemModel) |
---|
2175 | checked_list = ['background', '0.001', '-inf', 'inf', '1/cm'] |
---|
2176 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
2177 | last_row = model.rowCount()-1 |
---|
2178 | model.item(last_row, 0).setEditable(False) |
---|
2179 | model.item(last_row, 4).setEditable(False) |
---|
2180 | |
---|
2181 | def addScaleToModel(self, model): |
---|
2182 | """ |
---|
2183 | Adds scale parameter with default values to the model |
---|
2184 | """ |
---|
2185 | assert isinstance(model, QtGui.QStandardItemModel) |
---|
2186 | checked_list = ['scale', '1.0', '0.0', 'inf', ''] |
---|
2187 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
2188 | last_row = model.rowCount()-1 |
---|
2189 | model.item(last_row, 0).setEditable(False) |
---|
2190 | model.item(last_row, 4).setEditable(False) |
---|
2191 | |
---|
2192 | def addWeightingToData(self, data): |
---|
2193 | """ |
---|
2194 | Adds weighting contribution to fitting data |
---|
2195 | """ |
---|
2196 | new_data = copy.deepcopy(data) |
---|
2197 | # Send original data for weighting |
---|
2198 | weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting) |
---|
2199 | if self.is2D: |
---|
2200 | new_data.err_data = weight |
---|
2201 | else: |
---|
2202 | new_data.dy = weight |
---|
2203 | |
---|
2204 | return new_data |
---|
2205 | |
---|
2206 | def updateQRange(self): |
---|
2207 | """ |
---|
2208 | Updates Q Range display |
---|
2209 | """ |
---|
2210 | if self.data_is_loaded: |
---|
2211 | self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange() |
---|
2212 | # set Q range labels on the main tab |
---|
2213 | self.lblMinRangeDef.setText(GuiUtils.formatNumber(self.q_range_min, high=True)) |
---|
2214 | self.lblMaxRangeDef.setText(GuiUtils.formatNumber(self.q_range_max, high=True)) |
---|
2215 | # set Q range labels on the options tab |
---|
2216 | self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts) |
---|
2217 | |
---|
2218 | def SASModelToQModel(self, model_name, structure_factor=None): |
---|
2219 | """ |
---|
2220 | Setting model parameters into table based on selected category |
---|
2221 | """ |
---|
2222 | # Crete/overwrite model items |
---|
2223 | self._model_model.clear() |
---|
2224 | self._poly_model.clear() |
---|
2225 | self._magnet_model.clear() |
---|
2226 | |
---|
2227 | if model_name is None: |
---|
2228 | if structure_factor not in (None, "None"): |
---|
2229 | # S(Q) on its own, treat the same as a form factor |
---|
2230 | self.kernel_module = None |
---|
2231 | self.fromStructureFactorToQModel(structure_factor) |
---|
2232 | else: |
---|
2233 | # No models selected |
---|
2234 | return |
---|
2235 | else: |
---|
2236 | self.fromModelToQModel(model_name) |
---|
2237 | self.addExtraShells() |
---|
2238 | |
---|
2239 | # Allow the SF combobox visibility for the given sasmodel |
---|
2240 | self.enableStructureFactorControl(structure_factor) |
---|
2241 | |
---|
2242 | # Add S(Q) |
---|
2243 | if self.cbStructureFactor.isEnabled(): |
---|
2244 | structure_factor = self.cbStructureFactor.currentText() |
---|
2245 | self.fromStructureFactorToQModel(structure_factor) |
---|
2246 | |
---|
2247 | # Add polydispersity to the model |
---|
2248 | self.poly_params = {} |
---|
2249 | self.setPolyModel() |
---|
2250 | # Add magnetic parameters to the model |
---|
2251 | self.magnet_params = {} |
---|
2252 | self.setMagneticModel() |
---|
2253 | |
---|
2254 | # Now we claim the model has been loaded |
---|
2255 | self.model_is_loaded = True |
---|
2256 | # Change the model name to a monicker |
---|
2257 | self.kernel_module.name = self.modelName() |
---|
2258 | # Update the smearing tab |
---|
2259 | self.smearing_widget.updateKernelModel(kernel_model=self.kernel_module) |
---|
2260 | |
---|
2261 | # (Re)-create headers |
---|
2262 | FittingUtilities.addHeadersToModel(self._model_model) |
---|
2263 | self.lstParams.header().setFont(self.boldFont) |
---|
2264 | |
---|
2265 | # Update Q Ranges |
---|
2266 | self.updateQRange() |
---|
2267 | |
---|
2268 | def fromModelToQModel(self, model_name): |
---|
2269 | """ |
---|
2270 | Setting model parameters into QStandardItemModel based on selected _model_ |
---|
2271 | """ |
---|
2272 | name = model_name |
---|
2273 | kernel_module = None |
---|
2274 | if self.cbCategory.currentText() == CATEGORY_CUSTOM: |
---|
2275 | # custom kernel load requires full path |
---|
2276 | name = os.path.join(ModelUtilities.find_plugins_dir(), model_name+".py") |
---|
2277 | try: |
---|
2278 | kernel_module = generate.load_kernel_module(name) |
---|
2279 | except ModuleNotFoundError as ex: |
---|
2280 | pass |
---|
2281 | except FileNotFoundError as ex: |
---|
2282 | # can happen when name attribute not the same as actual filename |
---|
2283 | pass |
---|
2284 | |
---|
2285 | if kernel_module is None: |
---|
2286 | # mismatch between "name" attribute and actual filename. |
---|
2287 | curr_model = self.models[model_name] |
---|
2288 | name, _ = os.path.splitext(os.path.basename(curr_model.filename)) |
---|
2289 | try: |
---|
2290 | kernel_module = generate.load_kernel_module(name) |
---|
2291 | except ModuleNotFoundError as ex: |
---|
2292 | logger.error("Can't find the model "+ str(ex)) |
---|
2293 | return |
---|
2294 | |
---|
2295 | if hasattr(kernel_module, 'parameters'): |
---|
2296 | # built-in and custom models |
---|
2297 | self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', [])) |
---|
2298 | |
---|
2299 | elif hasattr(kernel_module, 'model_info'): |
---|
2300 | # for sum/multiply models |
---|
2301 | self.model_parameters = kernel_module.model_info.parameters |
---|
2302 | |
---|
2303 | elif hasattr(kernel_module, 'Model') and hasattr(kernel_module.Model, "_model_info"): |
---|
2304 | # this probably won't work if there's no model_info, but just in case |
---|
2305 | self.model_parameters = kernel_module.Model._model_info.parameters |
---|
2306 | else: |
---|
2307 | # no parameters - default to blank table |
---|
2308 | msg = "No parameters found in model '{}'.".format(model_name) |
---|
2309 | logger.warning(msg) |
---|
2310 | self.model_parameters = modelinfo.ParameterTable([]) |
---|
2311 | |
---|
2312 | # Instantiate the current sasmodel |
---|
2313 | self.kernel_module = self.models[model_name]() |
---|
2314 | |
---|
2315 | # Change the model name to a monicker |
---|
2316 | self.kernel_module.name = self.modelName() |
---|
2317 | |
---|
2318 | # Explicitly add scale and background with default values |
---|
2319 | temp_undo_state = self.undo_supported |
---|
2320 | self.undo_supported = False |
---|
2321 | self.addScaleToModel(self._model_model) |
---|
2322 | self.addBackgroundToModel(self._model_model) |
---|
2323 | self.undo_supported = temp_undo_state |
---|
2324 | |
---|
2325 | self.shell_names = self.shellNamesList() |
---|
2326 | |
---|
2327 | # Add heading row |
---|
2328 | FittingUtilities.addHeadingRowToModel(self._model_model, model_name) |
---|
2329 | |
---|
2330 | # Update the QModel |
---|
2331 | FittingUtilities.addParametersToModel( |
---|
2332 | self.model_parameters, |
---|
2333 | self.kernel_module, |
---|
2334 | self.is2D, |
---|
2335 | self._model_model, |
---|
2336 | self.lstParams) |
---|
2337 | |
---|
2338 | def fromStructureFactorToQModel(self, structure_factor): |
---|
2339 | """ |
---|
2340 | Setting model parameters into QStandardItemModel based on selected _structure factor_ |
---|
2341 | """ |
---|
2342 | if structure_factor is None or structure_factor=="None": |
---|
2343 | return |
---|
2344 | |
---|
2345 | product_params = None |
---|
2346 | |
---|
2347 | if self.kernel_module is None: |
---|
2348 | # Structure factor is the only selected model; build it and show all its params |
---|
2349 | self.kernel_module = self.models[structure_factor]() |
---|
2350 | self.kernel_module.name = self.modelName() |
---|
2351 | s_params = self.kernel_module._model_info.parameters |
---|
2352 | s_params_orig = s_params |
---|
2353 | else: |
---|
2354 | s_kernel = self.models[structure_factor]() |
---|
2355 | p_kernel = self.kernel_module |
---|
2356 | # need to reset multiplicity to get the right product |
---|
2357 | if p_kernel.is_multiplicity_model: |
---|
2358 | p_kernel.multiplicity = p_kernel.multiplicity_info.number |
---|
2359 | |
---|
2360 | p_pars_len = len(p_kernel._model_info.parameters.kernel_parameters) |
---|
2361 | s_pars_len = len(s_kernel._model_info.parameters.kernel_parameters) |
---|
2362 | |
---|
2363 | self.kernel_module = MultiplicationModel(p_kernel, s_kernel) |
---|
2364 | # Modify the name to correspond to shown items |
---|
2365 | self.kernel_module.name = self.modelName() |
---|
2366 | all_params = self.kernel_module._model_info.parameters.kernel_parameters |
---|
2367 | all_param_names = [param.name for param in all_params] |
---|
2368 | |
---|
2369 | # S(Q) params from the product model are not necessarily the same as those from the S(Q) model; any |
---|
2370 | # conflicting names with P(Q) params will cause a rename |
---|
2371 | |
---|
2372 | if "radius_effective_mode" in all_param_names: |
---|
2373 | # Show all parameters |
---|
2374 | # In this case, radius_effective is NOT pruned by sasmodels.product |
---|
2375 | s_params = modelinfo.ParameterTable(all_params[p_pars_len:p_pars_len+s_pars_len]) |
---|
2376 | s_params_orig = modelinfo.ParameterTable(s_kernel._model_info.parameters.kernel_parameters) |
---|
2377 | product_params = modelinfo.ParameterTable( |
---|
2378 | self.kernel_module._model_info.parameters.kernel_parameters[p_pars_len+s_pars_len:]) |
---|
2379 | else: |
---|
2380 | # Ensure radius_effective is not displayed |
---|
2381 | s_params_orig = modelinfo.ParameterTable(s_kernel._model_info.parameters.kernel_parameters[1:]) |
---|
2382 | if "radius_effective" in all_param_names: |
---|
2383 | # In this case, radius_effective is NOT pruned by sasmodels.product |
---|
2384 | s_params = modelinfo.ParameterTable(all_params[p_pars_len+1:p_pars_len+s_pars_len]) |
---|
2385 | product_params = modelinfo.ParameterTable( |
---|
2386 | self.kernel_module._model_info.parameters.kernel_parameters[p_pars_len+s_pars_len:]) |
---|
2387 | else: |
---|
2388 | # In this case, radius_effective is pruned by sasmodels.product |
---|
2389 | s_params = modelinfo.ParameterTable(all_params[p_pars_len:p_pars_len+s_pars_len-1]) |
---|
2390 | product_params = modelinfo.ParameterTable( |
---|
2391 | self.kernel_module._model_info.parameters.kernel_parameters[p_pars_len+s_pars_len-1:]) |
---|
2392 | |
---|
2393 | # Add heading row |
---|
2394 | FittingUtilities.addHeadingRowToModel(self._model_model, structure_factor) |
---|
2395 | |
---|
2396 | # Get new rows for QModel |
---|
2397 | # Any renamed parameters are stored as data in the relevant item, for later handling |
---|
2398 | FittingUtilities.addSimpleParametersToModel( |
---|
2399 | parameters=s_params, |
---|
2400 | is2D=self.is2D, |
---|
2401 | parameters_original=s_params_orig, |
---|
2402 | model=self._model_model, |
---|
2403 | view=self.lstParams) |
---|
2404 | |
---|
2405 | # Insert product-only params into QModel |
---|
2406 | if product_params: |
---|
2407 | prod_rows = FittingUtilities.addSimpleParametersToModel( |
---|
2408 | parameters=product_params, |
---|
2409 | is2D=self.is2D, |
---|
2410 | parameters_original=None, |
---|
2411 | model=self._model_model, |
---|
2412 | view=self.lstParams, |
---|
2413 | row_num=2) |
---|
2414 | |
---|
2415 | # Since this all happens after shells are dealt with and we've inserted rows, fix this counter |
---|
2416 | self._n_shells_row += len(prod_rows) |
---|
2417 | |
---|
2418 | def haveParamsToFit(self): |
---|
2419 | """ |
---|
2420 | Finds out if there are any parameters ready to be fitted |
---|
2421 | """ |
---|
2422 | if not self.logic.data_is_loaded: |
---|
2423 | return False |
---|
2424 | if self.main_params_to_fit: |
---|
2425 | return True |
---|
2426 | if self.chkPolydispersity.isChecked() and self.poly_params_to_fit: |
---|
2427 | return True |
---|
2428 | if self.chkMagnetism.isChecked() and self.canHaveMagnetism() and self.magnet_params_to_fit: |
---|
2429 | return True |
---|
2430 | return False |
---|
2431 | |
---|
2432 | def onMainParamsChange(self, top, bottom): |
---|
2433 | """ |
---|
2434 | Callback method for updating the sasmodel parameters with the GUI values |
---|
2435 | """ |
---|
2436 | item = self._model_model.itemFromIndex(top) |
---|
2437 | |
---|
2438 | model_column = item.column() |
---|
2439 | |
---|
2440 | if model_column == 0: |
---|
2441 | self.checkboxSelected(item) |
---|
2442 | self.cmdFit.setEnabled(self.haveParamsToFit()) |
---|
2443 | # Update state stack |
---|
2444 | self.updateUndo() |
---|
2445 | return |
---|
2446 | |
---|
2447 | model_row = item.row() |
---|
2448 | name_index = self._model_model.index(model_row, 0) |
---|
2449 | name_item = self._model_model.itemFromIndex(name_index) |
---|
2450 | |
---|
2451 | # Extract changed value. |
---|
2452 | try: |
---|
2453 | value = GuiUtils.toDouble(item.text()) |
---|
2454 | except TypeError: |
---|
2455 | # Unparsable field |
---|
2456 | return |
---|
2457 | |
---|
2458 | # if the item has user data, this is the actual parameter name (e.g. to handle duplicate names) |
---|
2459 | if name_item.data(QtCore.Qt.UserRole): |
---|
2460 | parameter_name = str(name_item.data(QtCore.Qt.UserRole)) |
---|
2461 | else: |
---|
2462 | parameter_name = str(self._model_model.data(name_index)) |
---|
2463 | |
---|
2464 | # Update the parameter value - note: this supports +/-inf as well |
---|
2465 | param_column = self.lstParams.itemDelegate().param_value |
---|
2466 | min_column = self.lstParams.itemDelegate().param_min |
---|
2467 | max_column = self.lstParams.itemDelegate().param_max |
---|
2468 | if model_column == param_column: |
---|
2469 | # don't try to update multiplicity counters if they aren't there. |
---|
2470 | # Note that this will fail for proper bad update where the model |
---|
2471 | # doesn't contain multiplicity parameter |
---|
2472 | if parameter_name != self.kernel_module.multiplicity_info.control: |
---|
2473 | self.kernel_module.setParam(parameter_name, value) |
---|
2474 | elif model_column == min_column: |
---|
2475 | # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf] |
---|
2476 | self.kernel_module.details[parameter_name][1] = value |
---|
2477 | elif model_column == max_column: |
---|
2478 | self.kernel_module.details[parameter_name][2] = value |
---|
2479 | else: |
---|
2480 | # don't update the chart |
---|
2481 | return |
---|
2482 | |
---|
2483 | # TODO: magnetic params in self.kernel_module.details['M0:parameter_name'] = value |
---|
2484 | # TODO: multishell params in self.kernel_module.details[??] = value |
---|
2485 | |
---|
2486 | # handle display of effective radius parameter according to radius_effective_mode; pass ER into model if |
---|
2487 | # necessary |
---|
2488 | self.processEffectiveRadius() |
---|
2489 | |
---|
2490 | # Force the chart update when actual parameters changed |
---|
2491 | if model_column == 1: |
---|
2492 | self.recalculatePlotData() |
---|
2493 | |
---|
2494 | # Update state stack |
---|
2495 | self.updateUndo() |
---|
2496 | |
---|
2497 | def processEffectiveRadius(self): |
---|
2498 | """ |
---|
2499 | Checks the value of radius_effective_mode, if existent, and processes radius_effective as necessary. |
---|
2500 | * mode == 0: This means 'unconstrained'; ensure use can specify ER. |
---|
2501 | * mode > 0: This means it is constrained to a P(Q)-computed value in sasmodels; prevent user from editing ER. |
---|
2502 | |
---|
2503 | Note: If ER has been computed, it is passed back to SasView as an intermediate result. That value must be |
---|
2504 | displayed for the user; that is not dealt with here, but in complete1D. |
---|
2505 | """ |
---|
2506 | ER_row = self.getRowFromName("radius_effective") |
---|
2507 | if ER_row is None: |
---|
2508 | return |
---|
2509 | |
---|
2510 | ER_mode_row = self.getRowFromName("radius_effective_mode") |
---|
2511 | if ER_mode_row is None: |
---|
2512 | return |
---|
2513 | |
---|
2514 | try: |
---|
2515 | ER_mode = int(self._model_model.item(ER_mode_row, 1).text()) |
---|
2516 | except ValueError: |
---|
2517 | logging.error("radius_effective_mode was set to an invalid value.") |
---|
2518 | return |
---|
2519 | |
---|
2520 | if ER_mode == 0: |
---|
2521 | # ensure the ER value can be modified by user |
---|
2522 | self.setParamEditableByRow(ER_row, True) |
---|
2523 | elif ER_mode > 0: |
---|
2524 | # ensure the ER value cannot be modified by user |
---|
2525 | self.setParamEditableByRow(ER_row, False) |
---|
2526 | else: |
---|
2527 | logging.error("radius_effective_mode was set to an invalid value.") |
---|
2528 | |
---|
2529 | def setParamEditableByRow(self, row, editable=True): |
---|
2530 | """ |
---|
2531 | Sets whether the user can edit a parameter in the table. If they cannot, the parameter name's font is changed, |
---|
2532 | the value itself cannot be edited if clicked on, and the parameter may not be fitted. |
---|
2533 | """ |
---|
2534 | item_name = self._model_model.item(row, 0) |
---|
2535 | item_value = self._model_model.item(row, 1) |
---|
2536 | |
---|
2537 | item_value.setEditable(editable) |
---|
2538 | |
---|
2539 | if editable: |
---|
2540 | # reset font |
---|
2541 | item_name.setFont(QtGui.QFont()) |
---|
2542 | # reset colour |
---|
2543 | item_name.setForeground(QtGui.QBrush()) |
---|
2544 | # make checkable |
---|
2545 | item_name.setCheckable(True) |
---|
2546 | else: |
---|
2547 | # change font |
---|
2548 | font = QtGui.QFont() |
---|
2549 | font.setItalic(True) |
---|
2550 | item_name.setFont(font) |
---|
2551 | # change colour |
---|
2552 | item_name.setForeground(QtGui.QBrush(QtGui.QColor(50, 50, 50))) |
---|
2553 | # make not checkable (and uncheck) |
---|
2554 | item_name.setCheckState(QtCore.Qt.Unchecked) |
---|
2555 | item_name.setCheckable(False) |
---|
2556 | |
---|
2557 | def isCheckable(self, row): |
---|
2558 | return self._model_model.item(row, 0).isCheckable() |
---|
2559 | |
---|
2560 | def selectCheckbox(self, row): |
---|
2561 | """ |
---|
2562 | Select the checkbox in given row. |
---|
2563 | """ |
---|
2564 | assert 0<= row <= self._model_model.rowCount() |
---|
2565 | index = self._model_model.index(row, 0) |
---|
2566 | item = self._model_model.itemFromIndex(index) |
---|
2567 | item.setCheckState(QtCore.Qt.Checked) |
---|
2568 | |
---|
2569 | def checkboxSelected(self, item): |
---|
2570 | # Assure we're dealing with checkboxes |
---|
2571 | if not item.isCheckable(): |
---|
2572 | return |
---|
2573 | status = item.checkState() |
---|
2574 | |
---|
2575 | # If multiple rows selected - toggle all of them, filtering uncheckable |
---|
2576 | # Convert to proper indices and set requested enablement |
---|
2577 | self.setParameterSelection(status) |
---|
2578 | |
---|
2579 | # update the list of parameters to fit |
---|
2580 | self.main_params_to_fit = self.checkedListFromModel(self._model_model) |
---|
2581 | |
---|
2582 | def checkedListFromModel(self, model): |
---|
2583 | """ |
---|
2584 | Returns list of checked parameters for given model |
---|
2585 | """ |
---|
2586 | def isChecked(row): |
---|
2587 | return model.item(row, 0).checkState() == QtCore.Qt.Checked |
---|
2588 | |
---|
2589 | return [str(model.item(row_index, 0).text()) |
---|
2590 | for row_index in range(model.rowCount()) |
---|
2591 | if isChecked(row_index)] |
---|
2592 | |
---|
2593 | def createNewIndex(self, fitted_data): |
---|
2594 | """ |
---|
2595 | Create a model or theory index with passed Data1D/Data2D |
---|
2596 | """ |
---|
2597 | if self.data_is_loaded: |
---|
2598 | if not fitted_data.name: |
---|
2599 | name = self.nameForFittedData(self.data.filename) |
---|
2600 | fitted_data.title = name |
---|
2601 | fitted_data.name = name |
---|
2602 | fitted_data.filename = name |
---|
2603 | fitted_data.symbol = "Line" |
---|
2604 | self.updateModelIndex(fitted_data) |
---|
2605 | else: |
---|
2606 | if not fitted_data.name: |
---|
2607 | name = self.nameForFittedData(self.kernel_module.id) |
---|
2608 | else: |
---|
2609 | name = fitted_data.name |
---|
2610 | fitted_data.title = name |
---|
2611 | fitted_data.filename = name |
---|
2612 | fitted_data.symbol = "Line" |
---|
2613 | self.createTheoryIndex(fitted_data) |
---|
2614 | # Switch to the theory tab for user's glee |
---|
2615 | self.communicate.changeDataExplorerTabSignal.emit(1) |
---|
2616 | |
---|
2617 | def updateModelIndex(self, fitted_data): |
---|
2618 | """ |
---|
2619 | Update a QStandardModelIndex containing model data |
---|
2620 | """ |
---|
2621 | name = self.nameFromData(fitted_data) |
---|
2622 | # Make this a line if no other defined |
---|
2623 | if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None: |
---|
2624 | fitted_data.symbol = 'Line' |
---|
2625 | # Notify the GUI manager so it can update the main model in DataExplorer |
---|
2626 | GuiUtils.updateModelItemWithPlot(self.all_data[self.data_index], fitted_data, name) |
---|
2627 | |
---|
2628 | def createTheoryIndex(self, fitted_data): |
---|
2629 | """ |
---|
2630 | Create a QStandardModelIndex containing model data |
---|
2631 | """ |
---|
2632 | name = self.nameFromData(fitted_data) |
---|
2633 | # Modify the item or add it if new |
---|
2634 | theory_item = GuiUtils.createModelItemWithPlot(fitted_data, name=name) |
---|
2635 | self.communicate.updateTheoryFromPerspectiveSignal.emit(theory_item) |
---|
2636 | |
---|
2637 | def setTheoryItem(self, item): |
---|
2638 | """ |
---|
2639 | Reset the theory item based on the data explorer update |
---|
2640 | """ |
---|
2641 | self.theory_item = item |
---|
2642 | |
---|
2643 | def nameFromData(self, fitted_data): |
---|
2644 | """ |
---|
2645 | Return name for the dataset. Terribly impure function. |
---|
2646 | """ |
---|
2647 | if fitted_data.name is None: |
---|
2648 | name = self.nameForFittedData(self.logic.data.filename) |
---|
2649 | fitted_data.title = name |
---|
2650 | fitted_data.name = name |
---|
2651 | fitted_data.filename = name |
---|
2652 | else: |
---|
2653 | name = fitted_data.name |
---|
2654 | return name |
---|
2655 | |
---|
2656 | def methodCalculateForData(self): |
---|
2657 | '''return the method for data calculation''' |
---|
2658 | return Calc1D if isinstance(self.data, Data1D) else Calc2D |
---|
2659 | |
---|
2660 | def methodCompleteForData(self): |
---|
2661 | '''return the method for result parsin on calc complete ''' |
---|
2662 | return self.completed1D if isinstance(self.data, Data1D) else self.completed2D |
---|
2663 | |
---|
2664 | def updateKernelModelWithExtraParams(self, model=None): |
---|
2665 | """ |
---|
2666 | Updates kernel model 'model' with extra parameters from |
---|
2667 | the polydisp and magnetism tab, if the tabs are enabled |
---|
2668 | """ |
---|
2669 | if model is None: return |
---|
2670 | if not hasattr(model, 'setParam'): return |
---|
2671 | |
---|
2672 | # add polydisperse parameters if asked |
---|
2673 | if self.chkPolydispersity.isChecked() and self._poly_model.rowCount() > 0: |
---|
2674 | for key, value in self.poly_params.items(): |
---|
2675 | model.setParam(key, value) |
---|
2676 | # add magnetic params if asked |
---|
2677 | if self.chkMagnetism.isChecked() and self.canHaveMagnetism() and self._magnet_model.rowCount() > 0: |
---|
2678 | for key, value in self.magnet_params.items(): |
---|
2679 | model.setParam(key, value) |
---|
2680 | |
---|
2681 | def calculateQGridForModelExt(self, data=None, model=None, completefn=None, use_threads=True): |
---|
2682 | """ |
---|
2683 | Wrapper for Calc1D/2D calls |
---|
2684 | """ |
---|
2685 | if data is None: |
---|
2686 | data = self.data |
---|
2687 | if model is None: |
---|
2688 | model = copy.deepcopy(self.kernel_module) |
---|
2689 | self.updateKernelModelWithExtraParams(model) |
---|
2690 | |
---|
2691 | if completefn is None: |
---|
2692 | completefn = self.methodCompleteForData() |
---|
2693 | smearer = self.smearing_widget.smearer() |
---|
2694 | weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting) |
---|
2695 | |
---|
2696 | # Disable buttons/table |
---|
2697 | self.disableInteractiveElementsOnCalculate() |
---|
2698 | # Awful API to a backend method. |
---|
2699 | calc_thread = self.methodCalculateForData()(data=data, |
---|
2700 | model=model, |
---|
2701 | page_id=0, |
---|
2702 | qmin=self.q_range_min, |
---|
2703 | qmax=self.q_range_max, |
---|
2704 | smearer=smearer, |
---|
2705 | state=None, |
---|
2706 | weight=weight, |
---|
2707 | fid=None, |
---|
2708 | toggle_mode_on=False, |
---|
2709 | completefn=completefn, |
---|
2710 | update_chisqr=True, |
---|
2711 | exception_handler=self.calcException, |
---|
2712 | source=None) |
---|
2713 | if use_threads: |
---|
2714 | if LocalConfig.USING_TWISTED: |
---|
2715 | # start the thread with twisted |
---|
2716 | thread = threads.deferToThread(calc_thread.compute) |
---|
2717 | thread.addCallback(completefn) |
---|
2718 | thread.addErrback(self.calculateDataFailed) |
---|
2719 | else: |
---|
2720 | # Use the old python threads + Queue |
---|
2721 | calc_thread.queue() |
---|
2722 | calc_thread.ready(2.5) |
---|
2723 | else: |
---|
2724 | results = calc_thread.compute() |
---|
2725 | completefn(results) |
---|
2726 | |
---|
2727 | def calculateQGridForModel(self): |
---|
2728 | """ |
---|
2729 | Prepare the fitting data object, based on current ModelModel |
---|
2730 | """ |
---|
2731 | if self.kernel_module is None: |
---|
2732 | return |
---|
2733 | self.calculateQGridForModelExt() |
---|
2734 | |
---|
2735 | def calculateDataFailed(self, reason): |
---|
2736 | """ |
---|
2737 | Thread returned error |
---|
2738 | """ |
---|
2739 | # Bring the GUI to normal state |
---|
2740 | self.enableInteractiveElements() |
---|
2741 | print("Calculate Data failed with ", reason) |
---|
2742 | |
---|
2743 | def completed1D(self, return_data): |
---|
2744 | self.Calc1DFinishedSignal.emit(return_data) |
---|
2745 | |
---|
2746 | def completed2D(self, return_data): |
---|
2747 | self.Calc2DFinishedSignal.emit(return_data) |
---|
2748 | |
---|
2749 | def _appendPlotsPolyDisp(self, new_plots, return_data, fitted_data): |
---|
2750 | """ |
---|
2751 | Internal helper for 1D and 2D for creating plots of the polydispersity distribution for |
---|
2752 | parameters which have a polydispersity enabled. |
---|
2753 | """ |
---|
2754 | for plot in FittingUtilities.plotPolydispersities(return_data.get('model', None)): |
---|
2755 | data_id = fitted_data.id.split() |
---|
2756 | plot.id = "{} [{}] {}".format(data_id[0], plot.name, " ".join(data_id[1:])) |
---|
2757 | data_name = fitted_data.name.split() |
---|
2758 | plot.name = " ".join([data_name[0], plot.name] + data_name[1:]) |
---|
2759 | self.createNewIndex(plot) |
---|
2760 | new_plots.append(plot) |
---|
2761 | |
---|
2762 | def complete1D(self, return_data): |
---|
2763 | """ |
---|
2764 | Plot the current 1D data |
---|
2765 | """ |
---|
2766 | # Bring the GUI to normal state |
---|
2767 | self.enableInteractiveElements() |
---|
2768 | if return_data is None: |
---|
2769 | return |
---|
2770 | fitted_data = self.logic.new1DPlot(return_data, self.tab_id) |
---|
2771 | |
---|
2772 | # assure the current index is set properly for batch |
---|
2773 | if len(self._logic) > 1: |
---|
2774 | for i, logic in enumerate(self._logic): |
---|
2775 | if logic.data.name in fitted_data.name: |
---|
2776 | self.data_index = i |
---|
2777 | |
---|
2778 | residuals = self.calculateResiduals(fitted_data) |
---|
2779 | self.model_data = fitted_data |
---|
2780 | new_plots = [fitted_data] |
---|
2781 | if residuals is not None: |
---|
2782 | new_plots.append(residuals) |
---|
2783 | |
---|
2784 | if self.data_is_loaded: |
---|
2785 | # delete any plots associated with the data that were not updated |
---|
2786 | # (e.g. to remove beta(Q), S_eff(Q)) |
---|
2787 | GuiUtils.deleteRedundantPlots(self.all_data[self.data_index], new_plots) |
---|
2788 | pass |
---|
2789 | else: |
---|
2790 | # delete theory items for the model, in order to get rid of any |
---|
2791 | # redundant items, e.g. beta(Q), S_eff(Q) |
---|
2792 | self.communicate.deleteIntermediateTheoryPlotsSignal.emit(self.kernel_module.id) |
---|
2793 | |
---|
2794 | self._appendPlotsPolyDisp(new_plots, return_data, fitted_data) |
---|
2795 | |
---|
2796 | # Create plots for intermediate product data |
---|
2797 | plots = self.logic.new1DProductPlots(return_data, self.tab_id) |
---|
2798 | for plot in plots: |
---|
2799 | plot.symbol = "Line" |
---|
2800 | self.createNewIndex(plot) |
---|
2801 | new_plots.append(plot) |
---|
2802 | |
---|
2803 | for plot in new_plots: |
---|
2804 | self.communicate.plotUpdateSignal.emit([plot]) |
---|
2805 | |
---|
2806 | # Update radius_effective if relevant |
---|
2807 | self.updateEffectiveRadius(return_data) |
---|
2808 | |
---|
2809 | def complete2D(self, return_data): |
---|
2810 | """ |
---|
2811 | Plot the current 2D data |
---|
2812 | """ |
---|
2813 | # Bring the GUI to normal state |
---|
2814 | self.enableInteractiveElements() |
---|
2815 | |
---|
2816 | if return_data is None: |
---|
2817 | return |
---|
2818 | |
---|
2819 | fitted_data = self.logic.new2DPlot(return_data) |
---|
2820 | # assure the current index is set properly for batch |
---|
2821 | if len(self._logic) > 1: |
---|
2822 | for i, logic in enumerate(self._logic): |
---|
2823 | if logic.data.name in fitted_data.name: |
---|
2824 | self.data_index = i |
---|
2825 | |
---|
2826 | residuals = self.calculateResiduals(fitted_data) |
---|
2827 | self.model_data = fitted_data |
---|
2828 | new_plots = [fitted_data] |
---|
2829 | if residuals is not None: |
---|
2830 | new_plots.append(residuals) |
---|
2831 | |
---|
2832 | self._appendPlotsPolyDisp(new_plots, return_data, fitted_data) |
---|
2833 | |
---|
2834 | # Update/generate plots |
---|
2835 | for plot in new_plots: |
---|
2836 | self.communicate.plotUpdateSignal.emit([plot]) |
---|
2837 | |
---|
2838 | def updateEffectiveRadius(self, return_data): |
---|
2839 | """ |
---|
2840 | Given return data from sasmodels, update the effective radius parameter in the GUI table with the new |
---|
2841 | calculated value as returned by sasmodels (if the value was returned). |
---|
2842 | """ |
---|
2843 | ER_mode_row = self.getRowFromName("radius_effective_mode") |
---|
2844 | if ER_mode_row is None: |
---|
2845 | return |
---|
2846 | try: |
---|
2847 | ER_mode = int(self._model_model.item(ER_mode_row, 1).text()) |
---|
2848 | except ValueError: |
---|
2849 | logging.error("radius_effective_mode was set to an invalid value.") |
---|
2850 | return |
---|
2851 | if ER_mode < 1: |
---|
2852 | # does not need updating if it is not being computed |
---|
2853 | return |
---|
2854 | |
---|
2855 | ER_row = self.getRowFromName("radius_effective") |
---|
2856 | if ER_row is None: |
---|
2857 | return |
---|
2858 | |
---|
2859 | scalar_results = self.logic.getScalarIntermediateResults(return_data) |
---|
2860 | ER_value = scalar_results.get("effective_radius") # note name of key |
---|
2861 | if ER_value is None: |
---|
2862 | return |
---|
2863 | # ensure the model does not recompute when updating the value |
---|
2864 | self._model_model.blockSignals(True) |
---|
2865 | self._model_model.item(ER_row, 1).setText(str(ER_value)) |
---|
2866 | self._model_model.blockSignals(False) |
---|
2867 | # ensure the view is updated immediately |
---|
2868 | self._model_model.layoutChanged.emit() |
---|
2869 | |
---|
2870 | def calculateResiduals(self, fitted_data): |
---|
2871 | """ |
---|
2872 | Calculate and print Chi2 and display chart of residuals. Returns residuals plot object. |
---|
2873 | """ |
---|
2874 | # Create a new index for holding data |
---|
2875 | fitted_data.symbol = "Line" |
---|
2876 | |
---|
2877 | # Modify fitted_data with weighting |
---|
2878 | weighted_data = self.addWeightingToData(fitted_data) |
---|
2879 | |
---|
2880 | self.createNewIndex(weighted_data) |
---|
2881 | |
---|
2882 | # Calculate difference between return_data and logic.data |
---|
2883 | self.chi2 = FittingUtilities.calculateChi2(weighted_data, self.data) |
---|
2884 | # Update the control |
---|
2885 | chi2_repr = "---" if self.chi2 is None else GuiUtils.formatNumber(self.chi2, high=True) |
---|
2886 | self.lblChi2Value.setText(chi2_repr) |
---|
2887 | |
---|
2888 | # Plot residuals if actual data |
---|
2889 | if not self.data_is_loaded: |
---|
2890 | return |
---|
2891 | |
---|
2892 | residuals_plot = FittingUtilities.plotResiduals(self.data, weighted_data) |
---|
2893 | if residuals_plot is None: |
---|
2894 | return |
---|
2895 | residuals_plot.id = "Residual " + residuals_plot.id |
---|
2896 | residuals_plot.plot_role = Data1D.ROLE_RESIDUAL |
---|
2897 | self.createNewIndex(residuals_plot) |
---|
2898 | return residuals_plot |
---|
2899 | |
---|
2900 | def onCategoriesChanged(self): |
---|
2901 | """ |
---|
2902 | Reload the category/model comboboxes |
---|
2903 | """ |
---|
2904 | # Store the current combo indices |
---|
2905 | current_cat = self.cbCategory.currentText() |
---|
2906 | current_model = self.cbModel.currentText() |
---|
2907 | |
---|
2908 | # reread the category file and repopulate the combo |
---|
2909 | self.cbCategory.blockSignals(True) |
---|
2910 | self.cbCategory.clear() |
---|
2911 | self.readCategoryInfo() |
---|
2912 | self.initializeCategoryCombo() |
---|
2913 | |
---|
2914 | # Scroll back to the original index in Categories |
---|
2915 | new_index = self.cbCategory.findText(current_cat) |
---|
2916 | if new_index != -1: |
---|
2917 | self.cbCategory.setCurrentIndex(new_index) |
---|
2918 | self.cbCategory.blockSignals(False) |
---|
2919 | # ...and in the Models |
---|
2920 | self.cbModel.blockSignals(True) |
---|
2921 | new_index = self.cbModel.findText(current_model) |
---|
2922 | if new_index != -1: |
---|
2923 | self.cbModel.setCurrentIndex(new_index) |
---|
2924 | self.cbModel.blockSignals(False) |
---|
2925 | |
---|
2926 | return |
---|
2927 | |
---|
2928 | def calcException(self, etype, value, tb): |
---|
2929 | """ |
---|
2930 | Thread threw an exception. |
---|
2931 | """ |
---|
2932 | # Bring the GUI to normal state |
---|
2933 | self.enableInteractiveElements() |
---|
2934 | # TODO: remimplement thread cancellation |
---|
2935 | logger.error("".join(traceback.format_exception(etype, value, tb))) |
---|
2936 | |
---|
2937 | def setTableProperties(self, table): |
---|
2938 | """ |
---|
2939 | Setting table properties |
---|
2940 | """ |
---|
2941 | # Table properties |
---|
2942 | table.verticalHeader().setVisible(False) |
---|
2943 | table.setAlternatingRowColors(True) |
---|
2944 | table.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding) |
---|
2945 | table.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows) |
---|
2946 | table.resizeColumnsToContents() |
---|
2947 | |
---|
2948 | # Header |
---|
2949 | header = table.horizontalHeader() |
---|
2950 | header.setSectionResizeMode(QtWidgets.QHeaderView.ResizeToContents) |
---|
2951 | header.ResizeMode(QtWidgets.QHeaderView.Interactive) |
---|
2952 | |
---|
2953 | # Qt5: the following 2 lines crash - figure out why! |
---|
2954 | # Resize column 0 and 7 to content |
---|
2955 | #header.setSectionResizeMode(0, QtWidgets.QHeaderView.ResizeToContents) |
---|
2956 | #header.setSectionResizeMode(7, QtWidgets.QHeaderView.ResizeToContents) |
---|
2957 | |
---|
2958 | def setPolyModel(self): |
---|
2959 | """ |
---|
2960 | Set polydispersity values |
---|
2961 | """ |
---|
2962 | if not self.model_parameters: |
---|
2963 | return |
---|
2964 | self._poly_model.clear() |
---|
2965 | |
---|
2966 | parameters = self.model_parameters.form_volume_parameters |
---|
2967 | if self.is2D: |
---|
2968 | parameters += self.model_parameters.orientation_parameters |
---|
2969 | |
---|
2970 | [self.setPolyModelParameters(i, param) for i, param in \ |
---|
2971 | enumerate(parameters) if param.polydisperse] |
---|
2972 | |
---|
2973 | FittingUtilities.addPolyHeadersToModel(self._poly_model) |
---|
2974 | |
---|
2975 | def setPolyModelParameters(self, i, param): |
---|
2976 | """ |
---|
2977 | Standard of multishell poly parameter driver |
---|
2978 | """ |
---|
2979 | param_name = param.name |
---|
2980 | # see it the parameter is multishell |
---|
2981 | if '[' in param.name: |
---|
2982 | # Skip empty shells |
---|
2983 | if self.current_shell_displayed == 0: |
---|
2984 | return |
---|
2985 | else: |
---|
2986 | # Create as many entries as current shells |
---|
2987 | for ishell in range(1, self.current_shell_displayed+1): |
---|
2988 | # Remove [n] and add the shell numeral |
---|
2989 | name = param_name[0:param_name.index('[')] + str(ishell) |
---|
2990 | self.addNameToPolyModel(i, name) |
---|
2991 | else: |
---|
2992 | # Just create a simple param entry |
---|
2993 | self.addNameToPolyModel(i, param_name) |
---|
2994 | |
---|
2995 | def addNameToPolyModel(self, i, param_name): |
---|
2996 | """ |
---|
2997 | Creates a checked row in the poly model with param_name |
---|
2998 | """ |
---|
2999 | # Polydisp. values from the sasmodel |
---|
3000 | width = self.kernel_module.getParam(param_name + '.width') |
---|
3001 | npts = self.kernel_module.getParam(param_name + '.npts') |
---|
3002 | nsigs = self.kernel_module.getParam(param_name + '.nsigmas') |
---|
3003 | _, min, max = self.kernel_module.details[param_name] |
---|
3004 | |
---|
3005 | # Update local param dict |
---|
3006 | self.poly_params[param_name + '.width'] = width |
---|
3007 | self.poly_params[param_name + '.npts'] = npts |
---|
3008 | self.poly_params[param_name + '.nsigmas'] = nsigs |
---|
3009 | |
---|
3010 | # Construct a row with polydisp. related variable. |
---|
3011 | # This will get added to the polydisp. model |
---|
3012 | # Note: last argument needs extra space padding for decent display of the control |
---|
3013 | checked_list = ["Distribution of " + param_name, str(width), |
---|
3014 | str(min), str(max), |
---|
3015 | str(npts), str(nsigs), "gaussian ",''] |
---|
3016 | FittingUtilities.addCheckedListToModel(self._poly_model, checked_list) |
---|
3017 | |
---|
3018 | # All possible polydisp. functions as strings in combobox |
---|
3019 | func = QtWidgets.QComboBox() |
---|
3020 | func.addItems([str(name_disp) for name_disp in POLYDISPERSITY_MODELS.keys()]) |
---|
3021 | # Set the default index |
---|
3022 | func.setCurrentIndex(func.findText(DEFAULT_POLYDISP_FUNCTION)) |
---|
3023 | ind = self._poly_model.index(i,self.lstPoly.itemDelegate().poly_function) |
---|
3024 | self.lstPoly.setIndexWidget(ind, func) |
---|
3025 | func.currentIndexChanged.connect(lambda: self.onPolyComboIndexChange(str(func.currentText()), i)) |
---|
3026 | |
---|
3027 | def onPolyFilenameChange(self, row_index): |
---|
3028 | """ |
---|
3029 | Respond to filename_updated signal from the delegate |
---|
3030 | """ |
---|
3031 | # For the given row, invoke the "array" combo handler |
---|
3032 | array_caption = 'array' |
---|
3033 | |
---|
3034 | # Get the combo box reference |
---|
3035 | ind = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function) |
---|
3036 | widget = self.lstPoly.indexWidget(ind) |
---|
3037 | |
---|
3038 | # Update the combo box so it displays "array" |
---|
3039 | widget.blockSignals(True) |
---|
3040 | widget.setCurrentIndex(self.lstPoly.itemDelegate().POLYDISPERSE_FUNCTIONS.index(array_caption)) |
---|
3041 | widget.blockSignals(False) |
---|
3042 | |
---|
3043 | # Invoke the file reader |
---|
3044 | self.onPolyComboIndexChange(array_caption, row_index) |
---|
3045 | |
---|
3046 | def onPolyComboIndexChange(self, combo_string, row_index): |
---|
3047 | """ |
---|
3048 | Modify polydisp. defaults on function choice |
---|
3049 | """ |
---|
3050 | # Get npts/nsigs for current selection |
---|
3051 | param = self.model_parameters.form_volume_parameters[row_index] |
---|
3052 | file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function) |
---|
3053 | combo_box = self.lstPoly.indexWidget(file_index) |
---|
3054 | try: |
---|
3055 | self.disp_model = POLYDISPERSITY_MODELS[combo_string]() |
---|
3056 | except IndexError: |
---|
3057 | logger.error("Error in setting the dispersion model. Reverting to Gaussian.") |
---|
3058 | self.disp_model = POLYDISPERSITY_MODELS['gaussian']() |
---|
3059 | |
---|
3060 | def updateFunctionCaption(row): |
---|
3061 | # Utility function for update of polydispersity function name in the main model |
---|
3062 | if not self.isCheckable(row): |
---|
3063 | return |
---|
3064 | param_name = self._model_model.item(row, 0).text() |
---|
3065 | if param_name != param.name: |
---|
3066 | return |
---|
3067 | # Modify the param value |
---|
3068 | self._model_model.blockSignals(True) |
---|
3069 | if self.has_error_column: |
---|
3070 | # err column changes the indexing |
---|
3071 | self._model_model.item(row, 0).child(0).child(0,5).setText(combo_string) |
---|
3072 | else: |
---|
3073 | self._model_model.item(row, 0).child(0).child(0,4).setText(combo_string) |
---|
3074 | self._model_model.blockSignals(False) |
---|
3075 | |
---|
3076 | if combo_string == 'array': |
---|
3077 | try: |
---|
3078 | # assure the combo is at the right index |
---|
3079 | combo_box.blockSignals(True) |
---|
3080 | combo_box.setCurrentIndex(combo_box.findText(combo_string)) |
---|
3081 | combo_box.blockSignals(False) |
---|
3082 | # Load the file |
---|
3083 | self.loadPolydispArray(row_index) |
---|
3084 | # Update main model for display |
---|
3085 | self.iterateOverModel(updateFunctionCaption) |
---|
3086 | self.kernel_module.set_dispersion(param.name, self.disp_model) |
---|
3087 | # uncheck the parameter |
---|
3088 | self._poly_model.item(row_index, 0).setCheckState(QtCore.Qt.Unchecked) |
---|
3089 | # disable the row |
---|
3090 | lo = self.lstPoly.itemDelegate().poly_parameter |
---|
3091 | hi = self.lstPoly.itemDelegate().poly_function |
---|
3092 | self._poly_model.blockSignals(True) |
---|
3093 | [self._poly_model.item(row_index, i).setEnabled(False) for i in range(lo, hi)] |
---|
3094 | self._poly_model.blockSignals(False) |
---|
3095 | return |
---|
3096 | except IOError: |
---|
3097 | combo_box.setCurrentIndex(self.orig_poly_index) |
---|
3098 | # Pass for cancel/bad read |
---|
3099 | pass |
---|
3100 | else: |
---|
3101 | self.kernel_module.set_dispersion(param.name, self.disp_model) |
---|
3102 | |
---|
3103 | # Enable the row in case it was disabled by Array |
---|
3104 | self._poly_model.blockSignals(True) |
---|
3105 | max_range = self.lstPoly.itemDelegate().poly_filename |
---|
3106 | [self._poly_model.item(row_index, i).setEnabled(True) for i in range(7)] |
---|
3107 | file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename) |
---|
3108 | self._poly_model.setData(file_index, "") |
---|
3109 | self._poly_model.blockSignals(False) |
---|
3110 | |
---|
3111 | npts_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_npts) |
---|
3112 | nsigs_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_nsigs) |
---|
3113 | |
---|
3114 | npts = POLYDISPERSITY_MODELS[str(combo_string)].default['npts'] |
---|
3115 | nsigs = POLYDISPERSITY_MODELS[str(combo_string)].default['nsigmas'] |
---|
3116 | |
---|
3117 | self._poly_model.setData(npts_index, npts) |
---|
3118 | self._poly_model.setData(nsigs_index, nsigs) |
---|
3119 | |
---|
3120 | self.iterateOverModel(updateFunctionCaption) |
---|
3121 | if combo_box is not None: |
---|
3122 | self.orig_poly_index = combo_box.currentIndex() |
---|
3123 | |
---|
3124 | def loadPolydispArray(self, row_index): |
---|
3125 | """ |
---|
3126 | Show the load file dialog and loads requested data into state |
---|
3127 | """ |
---|
3128 | datafile = QtWidgets.QFileDialog.getOpenFileName( |
---|
3129 | self, "Choose a weight file", "", "All files (*.*)", None, |
---|
3130 | QtWidgets.QFileDialog.DontUseNativeDialog)[0] |
---|
3131 | |
---|
3132 | if not datafile: |
---|
3133 | logger.info("No weight data chosen.") |
---|
3134 | raise IOError |
---|
3135 | |
---|
3136 | values = [] |
---|
3137 | weights = [] |
---|
3138 | def appendData(data_tuple): |
---|
3139 | """ |
---|
3140 | Fish out floats from a tuple of strings |
---|
3141 | """ |
---|
3142 | try: |
---|
3143 | values.append(float(data_tuple[0])) |
---|
3144 | weights.append(float(data_tuple[1])) |
---|
3145 | except (ValueError, IndexError): |
---|
3146 | # just pass through if line with bad data |
---|
3147 | return |
---|
3148 | |
---|
3149 | with open(datafile, 'r') as column_file: |
---|
3150 | column_data = [line.rstrip().split() for line in column_file.readlines()] |
---|
3151 | [appendData(line) for line in column_data] |
---|
3152 | |
---|
3153 | # If everything went well - update the sasmodel values |
---|
3154 | self.disp_model.set_weights(np.array(values), np.array(weights)) |
---|
3155 | # + update the cell with filename |
---|
3156 | fname = os.path.basename(str(datafile)) |
---|
3157 | fname_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename) |
---|
3158 | self._poly_model.setData(fname_index, fname) |
---|
3159 | |
---|
3160 | def onColumnWidthUpdate(self, index, old_size, new_size): |
---|
3161 | """ |
---|
3162 | Simple state update of the current column widths in the param list |
---|
3163 | """ |
---|
3164 | self.lstParamHeaderSizes[index] = new_size |
---|
3165 | |
---|
3166 | def setMagneticModel(self): |
---|
3167 | """ |
---|
3168 | Set magnetism values on model |
---|
3169 | """ |
---|
3170 | if not self.model_parameters: |
---|
3171 | return |
---|
3172 | self._magnet_model.clear() |
---|
3173 | # default initial value |
---|
3174 | m0 = 0.5 |
---|
3175 | for param in self.model_parameters.call_parameters: |
---|
3176 | if param.type != 'magnetic': continue |
---|
3177 | if "M0" in param.name: |
---|
3178 | m0 += 0.5 |
---|
3179 | value = m0 |
---|
3180 | else: |
---|
3181 | value = param.default |
---|
3182 | self.addCheckedMagneticListToModel(param, value) |
---|
3183 | |
---|
3184 | FittingUtilities.addHeadersToModel(self._magnet_model) |
---|
3185 | |
---|
3186 | def shellNamesList(self): |
---|
3187 | """ |
---|
3188 | Returns list of names of all multi-shell parameters |
---|
3189 | E.g. for sld[n], radius[n], n=1..3 it will return |
---|
3190 | [sld1, sld2, sld3, radius1, radius2, radius3] |
---|
3191 | """ |
---|
3192 | multi_names = [p.name[:p.name.index('[')] for p in self.model_parameters.iq_parameters if '[' in p.name] |
---|
3193 | top_index = self.kernel_module.multiplicity_info.number |
---|
3194 | shell_names = [] |
---|
3195 | for i in range(1, top_index+1): |
---|
3196 | for name in multi_names: |
---|
3197 | shell_names.append(name+str(i)) |
---|
3198 | return shell_names |
---|
3199 | |
---|
3200 | def addCheckedMagneticListToModel(self, param, value): |
---|
3201 | """ |
---|
3202 | Wrapper for model update with a subset of magnetic parameters |
---|
3203 | """ |
---|
3204 | try: |
---|
3205 | basename, _ = param.name.rsplit('_', 1) |
---|
3206 | except ValueError: |
---|
3207 | basename = param.name |
---|
3208 | if basename in self.shell_names: |
---|
3209 | try: |
---|
3210 | shell_index = int(basename[-2:]) |
---|
3211 | except ValueError: |
---|
3212 | shell_index = int(basename[-1:]) |
---|
3213 | |
---|
3214 | if shell_index > self.current_shell_displayed: |
---|
3215 | return |
---|
3216 | |
---|
3217 | checked_list = [param.name, |
---|
3218 | str(value), |
---|
3219 | str(param.limits[0]), |
---|
3220 | str(param.limits[1]), |
---|
3221 | param.units] |
---|
3222 | |
---|
3223 | self.magnet_params[param.name] = value |
---|
3224 | |
---|
3225 | FittingUtilities.addCheckedListToModel(self._magnet_model, checked_list) |
---|
3226 | |
---|
3227 | def enableStructureFactorControl(self, structure_factor): |
---|
3228 | """ |
---|
3229 | Add structure factors to the list of parameters |
---|
3230 | """ |
---|
3231 | if self.kernel_module.is_form_factor or structure_factor == 'None': |
---|
3232 | self.enableStructureCombo() |
---|
3233 | else: |
---|
3234 | self.disableStructureCombo() |
---|
3235 | |
---|
3236 | def addExtraShells(self): |
---|
3237 | """ |
---|
3238 | Add a combobox for multiple shell display |
---|
3239 | """ |
---|
3240 | param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters) |
---|
3241 | |
---|
3242 | if param_length == 0: |
---|
3243 | return |
---|
3244 | |
---|
3245 | # cell 1: variable name |
---|
3246 | item1 = QtGui.QStandardItem(param_name) |
---|
3247 | |
---|
3248 | func = QtWidgets.QComboBox() |
---|
3249 | |
---|
3250 | # cell 2: combobox |
---|
3251 | item2 = QtGui.QStandardItem() |
---|
3252 | |
---|
3253 | # cell 3: min value |
---|
3254 | item3 = QtGui.QStandardItem() |
---|
3255 | # set the cell to be non-editable |
---|
3256 | item3.setFlags(item3.flags() ^ QtCore.Qt.ItemIsEditable) |
---|
3257 | |
---|
3258 | # cell 4: max value |
---|
3259 | item4 = QtGui.QStandardItem() |
---|
3260 | # set the cell to be non-editable |
---|
3261 | item4.setFlags(item4.flags() ^ QtCore.Qt.ItemIsEditable) |
---|
3262 | |
---|
3263 | # cell 4: SLD button |
---|
3264 | item5 = QtGui.QStandardItem() |
---|
3265 | button = QtWidgets.QPushButton() |
---|
3266 | button.setText("Show SLD Profile") |
---|
3267 | |
---|
3268 | self._model_model.appendRow([item1, item2, item3, item4, item5]) |
---|
3269 | |
---|
3270 | # Beautify the row: span columns 2-4 |
---|
3271 | shell_row = self._model_model.rowCount() |
---|
3272 | shell_index = self._model_model.index(shell_row-1, 1) |
---|
3273 | button_index = self._model_model.index(shell_row-1, 4) |
---|
3274 | |
---|
3275 | self.lstParams.setIndexWidget(shell_index, func) |
---|
3276 | self.lstParams.setIndexWidget(button_index, button) |
---|
3277 | self._n_shells_row = shell_row - 1 |
---|
3278 | |
---|
3279 | # Get the default number of shells for the model |
---|
3280 | kernel_pars = self.kernel_module._model_info.parameters.kernel_parameters |
---|
3281 | shell_par = None |
---|
3282 | for par in kernel_pars: |
---|
3283 | parname = par.name |
---|
3284 | if '[' in parname: |
---|
3285 | parname = parname[:parname.index('[')] |
---|
3286 | if parname == param_name: |
---|
3287 | shell_par = par |
---|
3288 | break |
---|
3289 | if shell_par is None: |
---|
3290 | logger.error("Could not find %s in kernel parameters.", param_name) |
---|
3291 | return |
---|
3292 | default_shell_count = shell_par.default |
---|
3293 | shell_min = 0 |
---|
3294 | shell_max = 0 |
---|
3295 | try: |
---|
3296 | shell_min = int(shell_par.limits[0]) |
---|
3297 | shell_max = int(shell_par.limits[1]) |
---|
3298 | except IndexError as ex: |
---|
3299 | # no info about limits |
---|
3300 | pass |
---|
3301 | except OverflowError: |
---|
3302 | # Try to limit shell_par, if possible |
---|
3303 | if float(shell_par.limits[1])==np.inf: |
---|
3304 | shell_max = 9 |
---|
3305 | logging.warning("Limiting shell count to 9.") |
---|
3306 | except Exception as ex: |
---|
3307 | logging.error("Badly defined multiplicity: "+ str(ex)) |
---|
3308 | return |
---|
3309 | # don't update the kernel here - this data is display only |
---|
3310 | self._model_model.blockSignals(True) |
---|
3311 | item3.setText(str(shell_min)) |
---|
3312 | item4.setText(str(shell_max)) |
---|
3313 | self._model_model.blockSignals(False) |
---|
3314 | |
---|
3315 | ## Respond to index change |
---|
3316 | #func.currentTextChanged.connect(self.modifyShellsInList) |
---|
3317 | |
---|
3318 | # Respond to button press |
---|
3319 | button.clicked.connect(self.onShowSLDProfile) |
---|
3320 | |
---|
3321 | # Available range of shells displayed in the combobox |
---|
3322 | func.addItems([str(i) for i in range(shell_min, shell_max+1)]) |
---|
3323 | |
---|
3324 | # Respond to index change |
---|
3325 | func.currentTextChanged.connect(self.modifyShellsInList) |
---|
3326 | |
---|
3327 | # Add default number of shells to the model |
---|
3328 | func.setCurrentText(str(default_shell_count)) |
---|
3329 | self.modifyShellsInList(str(default_shell_count)) |
---|
3330 | |
---|
3331 | def modifyShellsInList(self, text): |
---|
3332 | """ |
---|
3333 | Add/remove additional multishell parameters |
---|
3334 | """ |
---|
3335 | # Find row location of the combobox |
---|
3336 | first_row = self._n_shells_row + 1 |
---|
3337 | remove_rows = self._num_shell_params |
---|
3338 | try: |
---|
3339 | index = int(text) |
---|
3340 | except ValueError: |
---|
3341 | # bad text on the control! |
---|
3342 | index = 0 |
---|
3343 | logger.error("Multiplicity incorrect! Setting to 0") |
---|
3344 | self.kernel_module.multiplicity = index |
---|
3345 | if remove_rows > 1: |
---|
3346 | self._model_model.removeRows(first_row, remove_rows) |
---|
3347 | |
---|
3348 | new_rows = FittingUtilities.addShellsToModel( |
---|
3349 | self.model_parameters, |
---|
3350 | self._model_model, |
---|
3351 | index, |
---|
3352 | first_row, |
---|
3353 | self.lstParams) |
---|
3354 | |
---|
3355 | self._num_shell_params = len(new_rows) |
---|
3356 | self.current_shell_displayed = index |
---|
3357 | |
---|
3358 | # Param values for existing shells were reset to default; force all changes into kernel module |
---|
3359 | for row in new_rows: |
---|
3360 | par = row[0].text() |
---|
3361 | val = GuiUtils.toDouble(row[1].text()) |
---|
3362 | self.kernel_module.setParam(par, val) |
---|
3363 | |
---|
3364 | # Change 'n' in the parameter model; also causes recalculation |
---|
3365 | self._model_model.item(self._n_shells_row, 1).setText(str(index)) |
---|
3366 | |
---|
3367 | # Update relevant models |
---|
3368 | self.setPolyModel() |
---|
3369 | if self.canHaveMagnetism(): |
---|
3370 | self.setMagneticModel() |
---|
3371 | |
---|
3372 | def onShowSLDProfile(self): |
---|
3373 | """ |
---|
3374 | Show a quick plot of SLD profile |
---|
3375 | """ |
---|
3376 | # get profile data |
---|
3377 | try: |
---|
3378 | x, y = self.kernel_module.getProfile() |
---|
3379 | except TypeError: |
---|
3380 | msg = "SLD profile calculation failed." |
---|
3381 | logging.error(msg) |
---|
3382 | return |
---|
3383 | |
---|
3384 | y *= 1.0e6 |
---|
3385 | profile_data = Data1D(x=x, y=y) |
---|
3386 | profile_data.name = "SLD" |
---|
3387 | profile_data.scale = 'linear' |
---|
3388 | profile_data.symbol = 'Line' |
---|
3389 | profile_data.hide_error = True |
---|
3390 | profile_data._xaxis = "R(\AA)" |
---|
3391 | profile_data._yaxis = "SLD(10^{-6}\AA^{-2})" |
---|
3392 | |
---|
3393 | plotter = PlotterWidget(self, quickplot=True) |
---|
3394 | plotter.data = profile_data |
---|
3395 | plotter.showLegend = True |
---|
3396 | plotter.plot(hide_error=True, marker='-') |
---|
3397 | |
---|
3398 | self.plot_widget = QtWidgets.QWidget() |
---|
3399 | self.plot_widget.setWindowTitle("Scattering Length Density Profile") |
---|
3400 | layout = QtWidgets.QVBoxLayout() |
---|
3401 | layout.addWidget(plotter) |
---|
3402 | self.plot_widget.setLayout(layout) |
---|
3403 | self.plot_widget.show() |
---|
3404 | |
---|
3405 | def setInteractiveElements(self, enabled=True): |
---|
3406 | """ |
---|
3407 | Switch interactive GUI elements on/off |
---|
3408 | """ |
---|
3409 | assert isinstance(enabled, bool) |
---|
3410 | |
---|
3411 | self.lstParams.setEnabled(enabled) |
---|
3412 | self.lstPoly.setEnabled(enabled) |
---|
3413 | self.lstMagnetic.setEnabled(enabled) |
---|
3414 | |
---|
3415 | self.cbCategory.setEnabled(enabled) |
---|
3416 | |
---|
3417 | if enabled: |
---|
3418 | # worry about original enablement of model and SF |
---|
3419 | self.cbModel.setEnabled(self.enabled_cbmodel) |
---|
3420 | self.cbStructureFactor.setEnabled(self.enabled_sfmodel) |
---|
3421 | else: |
---|
3422 | self.cbModel.setEnabled(enabled) |
---|
3423 | self.cbStructureFactor.setEnabled(enabled) |
---|
3424 | |
---|
3425 | self.cmdPlot.setEnabled(enabled) |
---|
3426 | |
---|
3427 | def enableInteractiveElements(self): |
---|
3428 | """ |
---|
3429 | Set buttion caption on fitting/calculate finish |
---|
3430 | Enable the param table(s) |
---|
3431 | """ |
---|
3432 | # Notify the user that fitting is available |
---|
3433 | self.cmdFit.setStyleSheet('QPushButton {color: black;}') |
---|
3434 | self.cmdFit.setText("Fit") |
---|
3435 | self.fit_started = False |
---|
3436 | self.setInteractiveElements(True) |
---|
3437 | |
---|
3438 | def disableInteractiveElements(self): |
---|
3439 | """ |
---|
3440 | Set buttion caption on fitting/calculate start |
---|
3441 | Disable the param table(s) |
---|
3442 | """ |
---|
3443 | # Notify the user that fitting is being run |
---|
3444 | # Allow for stopping the job |
---|
3445 | self.cmdFit.setStyleSheet('QPushButton {color: red;}') |
---|
3446 | self.cmdFit.setText('Stop fit') |
---|
3447 | self.setInteractiveElements(False) |
---|
3448 | |
---|
3449 | def disableInteractiveElementsOnCalculate(self): |
---|
3450 | """ |
---|
3451 | Set buttion caption on fitting/calculate start |
---|
3452 | Disable the param table(s) |
---|
3453 | """ |
---|
3454 | # Notify the user that fitting is being run |
---|
3455 | # Allow for stopping the job |
---|
3456 | self.cmdFit.setStyleSheet('QPushButton {color: red;}') |
---|
3457 | self.cmdFit.setText('Running...') |
---|
3458 | self.setInteractiveElements(False) |
---|
3459 | |
---|
3460 | def readFitPage(self, fp): |
---|
3461 | """ |
---|
3462 | Read in state from a fitpage object and update GUI |
---|
3463 | """ |
---|
3464 | assert isinstance(fp, FitPage) |
---|
3465 | # Main tab info |
---|
3466 | self.logic.data.filename = fp.filename |
---|
3467 | self.data_is_loaded = fp.data_is_loaded |
---|
3468 | self.chkPolydispersity.setCheckState(fp.is_polydisperse) |
---|
3469 | self.chkMagnetism.setCheckState(fp.is_magnetic) |
---|
3470 | self.chk2DView.setCheckState(fp.is2D) |
---|
3471 | |
---|
3472 | # Update the comboboxes |
---|
3473 | self.cbCategory.setCurrentIndex(self.cbCategory.findText(fp.current_category)) |
---|
3474 | self.cbModel.setCurrentIndex(self.cbModel.findText(fp.current_model)) |
---|
3475 | if fp.current_factor: |
---|
3476 | self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(fp.current_factor)) |
---|
3477 | |
---|
3478 | self.chi2 = fp.chi2 |
---|
3479 | |
---|
3480 | # Options tab |
---|
3481 | self.q_range_min = fp.fit_options[fp.MIN_RANGE] |
---|
3482 | self.q_range_max = fp.fit_options[fp.MAX_RANGE] |
---|
3483 | self.npts = fp.fit_options[fp.NPTS] |
---|
3484 | self.log_points = fp.fit_options[fp.LOG_POINTS] |
---|
3485 | self.weighting = fp.fit_options[fp.WEIGHTING] |
---|
3486 | |
---|
3487 | # Models |
---|
3488 | self._model_model = fp.model_model |
---|
3489 | self._poly_model = fp.poly_model |
---|
3490 | self._magnet_model = fp.magnetism_model |
---|
3491 | |
---|
3492 | # Resolution tab |
---|
3493 | smearing = fp.smearing_options[fp.SMEARING_OPTION] |
---|
3494 | accuracy = fp.smearing_options[fp.SMEARING_ACCURACY] |
---|
3495 | smearing_min = fp.smearing_options[fp.SMEARING_MIN] |
---|
3496 | smearing_max = fp.smearing_options[fp.SMEARING_MAX] |
---|
3497 | self.smearing_widget.setState(smearing, accuracy, smearing_min, smearing_max) |
---|
3498 | |
---|
3499 | # TODO: add polidyspersity and magnetism |
---|
3500 | |
---|
3501 | def saveToFitPage(self, fp): |
---|
3502 | """ |
---|
3503 | Write current state to the given fitpage |
---|
3504 | """ |
---|
3505 | assert isinstance(fp, FitPage) |
---|
3506 | |
---|
3507 | # Main tab info |
---|
3508 | fp.filename = self.logic.data.filename |
---|
3509 | fp.data_is_loaded = self.data_is_loaded |
---|
3510 | fp.is_polydisperse = self.chkPolydispersity.isChecked() |
---|
3511 | fp.is_magnetic = self.chkMagnetism.isChecked() |
---|
3512 | fp.is2D = self.chk2DView.isChecked() |
---|
3513 | fp.data = self.data |
---|
3514 | |
---|
3515 | # Use current models - they contain all the required parameters |
---|
3516 | fp.model_model = self._model_model |
---|
3517 | fp.poly_model = self._poly_model |
---|
3518 | fp.magnetism_model = self._magnet_model |
---|
3519 | |
---|
3520 | if self.cbCategory.currentIndex() != 0: |
---|
3521 | fp.current_category = str(self.cbCategory.currentText()) |
---|
3522 | fp.current_model = str(self.cbModel.currentText()) |
---|
3523 | |
---|
3524 | if self.cbStructureFactor.isEnabled() and self.cbStructureFactor.currentIndex() != 0: |
---|
3525 | fp.current_factor = str(self.cbStructureFactor.currentText()) |
---|
3526 | else: |
---|
3527 | fp.current_factor = '' |
---|
3528 | |
---|
3529 | fp.chi2 = self.chi2 |
---|
3530 | fp.main_params_to_fit = self.main_params_to_fit |
---|
3531 | fp.poly_params_to_fit = self.poly_params_to_fit |
---|
3532 | fp.magnet_params_to_fit = self.magnet_params_to_fit |
---|
3533 | fp.kernel_module = self.kernel_module |
---|
3534 | |
---|
3535 | # Algorithm options |
---|
3536 | # fp.algorithm = self.parent.fit_options.selected_id |
---|
3537 | |
---|
3538 | # Options tab |
---|
3539 | fp.fit_options[fp.MIN_RANGE] = self.q_range_min |
---|
3540 | fp.fit_options[fp.MAX_RANGE] = self.q_range_max |
---|
3541 | fp.fit_options[fp.NPTS] = self.npts |
---|
3542 | #fp.fit_options[fp.NPTS_FIT] = self.npts_fit |
---|
3543 | fp.fit_options[fp.LOG_POINTS] = self.log_points |
---|
3544 | fp.fit_options[fp.WEIGHTING] = self.weighting |
---|
3545 | |
---|
3546 | # Resolution tab |
---|
3547 | smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() |
---|
3548 | fp.smearing_options[fp.SMEARING_OPTION] = smearing |
---|
3549 | fp.smearing_options[fp.SMEARING_ACCURACY] = accuracy |
---|
3550 | fp.smearing_options[fp.SMEARING_MIN] = smearing_min |
---|
3551 | fp.smearing_options[fp.SMEARING_MAX] = smearing_max |
---|
3552 | |
---|
3553 | # TODO: add polidyspersity and magnetism |
---|
3554 | |
---|
3555 | def updateUndo(self): |
---|
3556 | """ |
---|
3557 | Create a new state page and add it to the stack |
---|
3558 | """ |
---|
3559 | if self.undo_supported: |
---|
3560 | self.pushFitPage(self.currentState()) |
---|
3561 | |
---|
3562 | def currentState(self): |
---|
3563 | """ |
---|
3564 | Return fit page with current state |
---|
3565 | """ |
---|
3566 | new_page = FitPage() |
---|
3567 | self.saveToFitPage(new_page) |
---|
3568 | |
---|
3569 | return new_page |
---|
3570 | |
---|
3571 | def pushFitPage(self, new_page): |
---|
3572 | """ |
---|
3573 | Add a new fit page object with current state |
---|
3574 | """ |
---|
3575 | self.page_stack.append(new_page) |
---|
3576 | |
---|
3577 | def popFitPage(self): |
---|
3578 | """ |
---|
3579 | Remove top fit page from stack |
---|
3580 | """ |
---|
3581 | if self.page_stack: |
---|
3582 | self.page_stack.pop() |
---|
3583 | |
---|
3584 | def getReport(self): |
---|
3585 | """ |
---|
3586 | Create and return HTML report with parameters and charts |
---|
3587 | """ |
---|
3588 | index = None |
---|
3589 | if self.all_data: |
---|
3590 | index = self.all_data[self.data_index] |
---|
3591 | else: |
---|
3592 | index = self.theory_item |
---|
3593 | params = FittingUtilities.getStandardParam(self._model_model) |
---|
3594 | poly_params = [] |
---|
3595 | magnet_params = [] |
---|
3596 | if self.chkPolydispersity.isChecked() and self._poly_model.rowCount() > 0: |
---|
3597 | poly_params = FittingUtilities.getStandardParam(self._poly_model) |
---|
3598 | if self.chkMagnetism.isChecked() and self.canHaveMagnetism() and self._magnet_model.rowCount() > 0: |
---|
3599 | magnet_params = FittingUtilities.getStandardParam(self._magnet_model) |
---|
3600 | report_logic = ReportPageLogic(self, |
---|
3601 | kernel_module=self.kernel_module, |
---|
3602 | data=self.data, |
---|
3603 | index=index, |
---|
3604 | params=params+poly_params+magnet_params) |
---|
3605 | |
---|
3606 | return report_logic.reportList() |
---|
3607 | |
---|
3608 | def loadPageStateCallback(self,state=None, datainfo=None, format=None): |
---|
3609 | """ |
---|
3610 | This is a callback method called from the CANSAS reader. |
---|
3611 | We need the instance of this reader only for writing out a file, |
---|
3612 | so there's nothing here. |
---|
3613 | Until Load Analysis is implemented, that is. |
---|
3614 | """ |
---|
3615 | pass |
---|
3616 | |
---|
3617 | def loadPageState(self, pagestate=None): |
---|
3618 | """ |
---|
3619 | Load the PageState object and update the current widget |
---|
3620 | """ |
---|
3621 | filepath = self.loadAnalysisFile() |
---|
3622 | if filepath is None or filepath == "": |
---|
3623 | return |
---|
3624 | |
---|
3625 | with open(filepath, 'r') as statefile: |
---|
3626 | #column_data = [line.rstrip().split() for line in statefile.readlines()] |
---|
3627 | lines = statefile.readlines() |
---|
3628 | |
---|
3629 | # convert into list of lists |
---|
3630 | pass |
---|
3631 | |
---|
3632 | def loadAnalysisFile(self): |
---|
3633 | """ |
---|
3634 | Called when the "Open Project" menu item chosen. |
---|
3635 | """ |
---|
3636 | default_name = "FitPage"+str(self.tab_id)+".fitv" |
---|
3637 | wildcard = "fitv files (*.fitv)" |
---|
3638 | kwargs = { |
---|
3639 | 'caption' : 'Open Analysis', |
---|
3640 | 'directory' : default_name, |
---|
3641 | 'filter' : wildcard, |
---|
3642 | 'parent' : self, |
---|
3643 | } |
---|
3644 | filename = QtWidgets.QFileDialog.getOpenFileName(**kwargs)[0] |
---|
3645 | return filename |
---|
3646 | |
---|
3647 | def onCopyToClipboard(self, format=None): |
---|
3648 | """ |
---|
3649 | Copy current fitting parameters into the clipboard |
---|
3650 | using requested formatting: |
---|
3651 | plain, excel, latex |
---|
3652 | """ |
---|
3653 | param_list = self.getFitParameters() |
---|
3654 | if format=="": |
---|
3655 | param_list = self.getFitPage() |
---|
3656 | param_list += self.getFitModel() |
---|
3657 | formatted_output = FittingUtilities.formatParameters(param_list) |
---|
3658 | elif format == "Excel": |
---|
3659 | formatted_output = FittingUtilities.formatParametersExcel(param_list[1:]) |
---|
3660 | elif format == "Latex": |
---|
3661 | formatted_output = FittingUtilities.formatParametersLatex(param_list[1:]) |
---|
3662 | else: |
---|
3663 | raise AttributeError("Bad parameter output format specifier.") |
---|
3664 | |
---|
3665 | # Dump formatted_output to the clipboard |
---|
3666 | cb = QtWidgets.QApplication.clipboard() |
---|
3667 | cb.setText(formatted_output) |
---|
3668 | |
---|
3669 | def getFitModel(self): |
---|
3670 | """ |
---|
3671 | serializes combobox state |
---|
3672 | """ |
---|
3673 | param_list = [] |
---|
3674 | model = str(self.cbModel.currentText()) |
---|
3675 | category = str(self.cbCategory.currentText()) |
---|
3676 | structure = str(self.cbStructureFactor.currentText()) |
---|
3677 | param_list.append(['fitpage_category', category]) |
---|
3678 | param_list.append(['fitpage_model', model]) |
---|
3679 | param_list.append(['fitpage_structure', structure]) |
---|
3680 | |
---|
3681 | return param_list |
---|
3682 | |
---|
3683 | def getFitPage(self): |
---|
3684 | """ |
---|
3685 | serializes full state of this fit page |
---|
3686 | """ |
---|
3687 | # run a loop over all parameters and pull out |
---|
3688 | # first - regular params |
---|
3689 | param_list = self.getFitParameters() |
---|
3690 | |
---|
3691 | param_list.append(['is_data', str(self.data_is_loaded)]) |
---|
3692 | data_ids = [] |
---|
3693 | filenames = [] |
---|
3694 | if self.is_batch_fitting: |
---|
3695 | for item in self.all_data: |
---|
3696 | # need item->data->data_id |
---|
3697 | data = GuiUtils.dataFromItem(item) |
---|
3698 | data_ids.append(data.id) |
---|
3699 | filenames.append(data.filename) |
---|
3700 | else: |
---|
3701 | if self.data_is_loaded: |
---|
3702 | data_ids = [str(self.logic.data.id)] |
---|
3703 | filenames = [str(self.logic.data.filename)] |
---|
3704 | param_list.append(['is_batch_fitting', str(self.is_batch_fitting)]) |
---|
3705 | param_list.append(['data_name', filenames]) |
---|
3706 | param_list.append(['data_id', data_ids]) |
---|
3707 | param_list.append(['tab_name', self.modelName()]) |
---|
3708 | # option tab |
---|
3709 | param_list.append(['q_range_min', str(self.q_range_min)]) |
---|
3710 | param_list.append(['q_range_max', str(self.q_range_max)]) |
---|
3711 | param_list.append(['q_weighting', str(self.weighting)]) |
---|
3712 | param_list.append(['weighting', str(self.options_widget.weighting)]) |
---|
3713 | |
---|
3714 | # resolution |
---|
3715 | smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() |
---|
3716 | index = self.smearing_widget.cbSmearing.currentIndex() |
---|
3717 | param_list.append(['smearing', str(index)]) |
---|
3718 | param_list.append(['smearing_min', str(smearing_min)]) |
---|
3719 | param_list.append(['smearing_max', str(smearing_max)]) |
---|
3720 | |
---|
3721 | # checkboxes, if required |
---|
3722 | has_polydisp = self.chkPolydispersity.isChecked() |
---|
3723 | has_magnetism = self.chkMagnetism.isChecked() |
---|
3724 | has_chain = self.chkChainFit.isChecked() |
---|
3725 | has_2D = self.chk2DView.isChecked() |
---|
3726 | param_list.append(['polydisperse_params', str(has_polydisp)]) |
---|
3727 | param_list.append(['magnetic_params', str(has_magnetism)]) |
---|
3728 | param_list.append(['chainfit_params', str(has_chain)]) |
---|
3729 | param_list.append(['2D_params', str(has_2D)]) |
---|
3730 | |
---|
3731 | return param_list |
---|
3732 | |
---|
3733 | def getFitParameters(self): |
---|
3734 | """ |
---|
3735 | serializes current parameters |
---|
3736 | """ |
---|
3737 | param_list = [] |
---|
3738 | if self.kernel_module is None: |
---|
3739 | return param_list |
---|
3740 | |
---|
3741 | param_list.append(['model_name', str(self.cbModel.currentText())]) |
---|
3742 | |
---|
3743 | def gatherParams(row): |
---|
3744 | """ |
---|
3745 | Create list of main parameters based on _model_model |
---|
3746 | """ |
---|
3747 | param_name = str(self._model_model.item(row, 0).text()) |
---|
3748 | |
---|
3749 | # Assure this is a parameter - must contain a checkbox |
---|
3750 | if not self._model_model.item(row, 0).isCheckable(): |
---|
3751 | # maybe it is a combobox item (multiplicity) |
---|
3752 | try: |
---|
3753 | index = self._model_model.index(row, 1) |
---|
3754 | widget = self.lstParams.indexWidget(index) |
---|
3755 | if widget is None: |
---|
3756 | return |
---|
3757 | if isinstance(widget, QtWidgets.QComboBox): |
---|
3758 | # find the index of the combobox |
---|
3759 | current_index = widget.currentIndex() |
---|
3760 | param_list.append([param_name, 'None', str(current_index)]) |
---|
3761 | except Exception as ex: |
---|
3762 | pass |
---|
3763 | return |
---|
3764 | |
---|
3765 | param_checked = str(self._model_model.item(row, 0).checkState() == QtCore.Qt.Checked) |
---|
3766 | # Value of the parameter. In some cases this is the text of the combobox choice. |
---|
3767 | param_value = str(self._model_model.item(row, 1).text()) |
---|
3768 | param_error = None |
---|
3769 | param_min = None |
---|
3770 | param_max = None |
---|
3771 | column_offset = 0 |
---|
3772 | if self.has_error_column: |
---|
3773 | column_offset = 1 |
---|
3774 | param_error = str(self._model_model.item(row, 1+column_offset).text()) |
---|
3775 | try: |
---|
3776 | param_min = str(self._model_model.item(row, 2+column_offset).text()) |
---|
3777 | param_max = str(self._model_model.item(row, 3+column_offset).text()) |
---|
3778 | except: |
---|
3779 | pass |
---|
3780 | # Do we have any constraints on this parameter? |
---|
3781 | constraint = self.getConstraintForRow(row) |
---|
3782 | cons = () |
---|
3783 | if constraint is not None: |
---|
3784 | value = constraint.value |
---|
3785 | func = constraint.func |
---|
3786 | value_ex = constraint.value_ex |
---|
3787 | param = constraint.param |
---|
3788 | validate = constraint.validate |
---|
3789 | |
---|
3790 | cons = (value, param, value_ex, validate, func) |
---|
3791 | |
---|
3792 | param_list.append([param_name, param_checked, param_value,param_error, param_min, param_max, cons]) |
---|
3793 | |
---|
3794 | def gatherPolyParams(row): |
---|
3795 | """ |
---|
3796 | Create list of polydisperse parameters based on _poly_model |
---|
3797 | """ |
---|
3798 | param_name = str(self._poly_model.item(row, 0).text()).split()[-1] |
---|
3799 | param_checked = str(self._poly_model.item(row, 0).checkState() == QtCore.Qt.Checked) |
---|
3800 | param_value = str(self._poly_model.item(row, 1).text()) |
---|
3801 | param_error = None |
---|
3802 | column_offset = 0 |
---|
3803 | if self.has_poly_error_column: |
---|
3804 | column_offset = 1 |
---|
3805 | param_error = str(self._poly_model.item(row, 1+column_offset).text()) |
---|
3806 | param_min = str(self._poly_model.item(row, 2+column_offset).text()) |
---|
3807 | param_max = str(self._poly_model.item(row, 3+column_offset).text()) |
---|
3808 | param_npts = str(self._poly_model.item(row, 4+column_offset).text()) |
---|
3809 | param_nsigs = str(self._poly_model.item(row, 5+column_offset).text()) |
---|
3810 | param_fun = str(self._poly_model.item(row, 6+column_offset).text()).rstrip() |
---|
3811 | index = self._poly_model.index(row, 6+column_offset) |
---|
3812 | widget = self.lstPoly.indexWidget(index) |
---|
3813 | if widget is not None and isinstance(widget, QtWidgets.QComboBox): |
---|
3814 | param_fun = widget.currentText() |
---|
3815 | # width |
---|
3816 | name = param_name+".width" |
---|
3817 | param_list.append([name, param_checked, param_value, param_error, |
---|
3818 | param_min, param_max, param_npts, param_nsigs, param_fun]) |
---|
3819 | |
---|
3820 | def gatherMagnetParams(row): |
---|
3821 | """ |
---|
3822 | Create list of magnetic parameters based on _magnet_model |
---|
3823 | """ |
---|
3824 | param_name = str(self._magnet_model.item(row, 0).text()) |
---|
3825 | param_checked = str(self._magnet_model.item(row, 0).checkState() == QtCore.Qt.Checked) |
---|
3826 | param_value = str(self._magnet_model.item(row, 1).text()) |
---|
3827 | param_error = None |
---|
3828 | column_offset = 0 |
---|
3829 | if self.has_magnet_error_column: |
---|
3830 | column_offset = 1 |
---|
3831 | param_error = str(self._magnet_model.item(row, 1+column_offset).text()) |
---|
3832 | param_min = str(self._magnet_model.item(row, 2+column_offset).text()) |
---|
3833 | param_max = str(self._magnet_model.item(row, 3+column_offset).text()) |
---|
3834 | param_list.append([param_name, param_checked, param_value, |
---|
3835 | param_error, param_min, param_max]) |
---|
3836 | |
---|
3837 | self.iterateOverModel(gatherParams) |
---|
3838 | if self.chkPolydispersity.isChecked(): |
---|
3839 | self.iterateOverPolyModel(gatherPolyParams) |
---|
3840 | if self.chkMagnetism.isChecked() and self.canHaveMagnetism(): |
---|
3841 | self.iterateOverMagnetModel(gatherMagnetParams) |
---|
3842 | |
---|
3843 | if self.kernel_module.is_multiplicity_model: |
---|
3844 | param_list.append(['multiplicity', str(self.kernel_module.multiplicity)]) |
---|
3845 | |
---|
3846 | return param_list |
---|
3847 | |
---|
3848 | def onParameterPaste(self): |
---|
3849 | """ |
---|
3850 | Use the clipboard to update fit state |
---|
3851 | """ |
---|
3852 | # Check if the clipboard contains right stuff |
---|
3853 | cb = QtWidgets.QApplication.clipboard() |
---|
3854 | cb_text = cb.text() |
---|
3855 | |
---|
3856 | lines = cb_text.split(':') |
---|
3857 | if lines[0] != 'sasview_parameter_values': |
---|
3858 | return False |
---|
3859 | |
---|
3860 | # put the text into dictionary |
---|
3861 | line_dict = {} |
---|
3862 | for line in lines[1:]: |
---|
3863 | content = line.split(',') |
---|
3864 | if len(content) > 1: |
---|
3865 | line_dict[content[0]] = content[1:] |
---|
3866 | |
---|
3867 | self.updatePageWithParameters(line_dict) |
---|
3868 | |
---|
3869 | def createPageForParameters(self, line_dict): |
---|
3870 | """ |
---|
3871 | Sets up page with requested model/str factor |
---|
3872 | and fills it up with sent parameters |
---|
3873 | """ |
---|
3874 | if 'fitpage_category' in line_dict: |
---|
3875 | self.cbCategory.setCurrentIndex(self.cbCategory.findText(line_dict['fitpage_category'][0])) |
---|
3876 | if 'fitpage_model' in line_dict: |
---|
3877 | self.cbModel.setCurrentIndex(self.cbModel.findText(line_dict['fitpage_model'][0])) |
---|
3878 | if 'fitpage_structure' in line_dict: |
---|
3879 | self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(line_dict['fitpage_structure'][0])) |
---|
3880 | |
---|
3881 | # Now that the page is ready for parameters, fill it up |
---|
3882 | self.updatePageWithParameters(line_dict) |
---|
3883 | |
---|
3884 | def updatePageWithParameters(self, line_dict): |
---|
3885 | """ |
---|
3886 | Update FitPage with parameters in line_dict |
---|
3887 | """ |
---|
3888 | if 'model_name' not in line_dict.keys(): |
---|
3889 | return |
---|
3890 | model = line_dict['model_name'][0] |
---|
3891 | context = {} |
---|
3892 | |
---|
3893 | if 'multiplicity' in line_dict.keys(): |
---|
3894 | multip = int(line_dict['multiplicity'][0], 0) |
---|
3895 | # reset the model with multiplicity, so further updates are saved |
---|
3896 | if self.kernel_module.is_multiplicity_model: |
---|
3897 | self.kernel_module.multiplicity=multip |
---|
3898 | self.updateMultiplicityCombo(multip) |
---|
3899 | |
---|
3900 | if 'tab_name' in line_dict.keys(): |
---|
3901 | self.kernel_module.name = line_dict['tab_name'][0] |
---|
3902 | if 'polydisperse_params' in line_dict.keys(): |
---|
3903 | self.chkPolydispersity.setChecked(line_dict['polydisperse_params'][0]=='True') |
---|
3904 | if 'magnetic_params' in line_dict.keys(): |
---|
3905 | self.chkMagnetism.setChecked(line_dict['magnetic_params'][0]=='True') |
---|
3906 | if 'chainfit_params' in line_dict.keys(): |
---|
3907 | self.chkChainFit.setChecked(line_dict['chainfit_params'][0]=='True') |
---|
3908 | if '2D_params' in line_dict.keys(): |
---|
3909 | self.chk2DView.setChecked(line_dict['2D_params'][0]=='True') |
---|
3910 | |
---|
3911 | # Create the context dictionary for parameters |
---|
3912 | context['model_name'] = model |
---|
3913 | for key, value in line_dict.items(): |
---|
3914 | if len(value) > 2: |
---|
3915 | context[key] = value |
---|
3916 | |
---|
3917 | if str(self.cbModel.currentText()) != str(context['model_name']): |
---|
3918 | msg = QtWidgets.QMessageBox() |
---|
3919 | msg.setIcon(QtWidgets.QMessageBox.Information) |
---|
3920 | msg.setText("The model in the clipboard is not the same as the currently loaded model. \ |
---|
3921 | Not all parameters saved may paste correctly.") |
---|
3922 | msg.setStandardButtons(QtWidgets.QMessageBox.Ok | QtWidgets.QMessageBox.Cancel) |
---|
3923 | result = msg.exec_() |
---|
3924 | if result == QtWidgets.QMessageBox.Ok: |
---|
3925 | pass |
---|
3926 | else: |
---|
3927 | return |
---|
3928 | |
---|
3929 | if 'smearing' in line_dict.keys(): |
---|
3930 | try: |
---|
3931 | index = int(line_dict['smearing'][0]) |
---|
3932 | self.smearing_widget.cbSmearing.setCurrentIndex(index) |
---|
3933 | except ValueError: |
---|
3934 | pass |
---|
3935 | if 'smearing_min' in line_dict.keys(): |
---|
3936 | try: |
---|
3937 | self.smearing_widget.dq_l = float(line_dict['smearing_min'][0]) |
---|
3938 | except ValueError: |
---|
3939 | pass |
---|
3940 | if 'smearing_max' in line_dict.keys(): |
---|
3941 | try: |
---|
3942 | self.smearing_widget.dq_r = float(line_dict['smearing_max'][0]) |
---|
3943 | except ValueError: |
---|
3944 | pass |
---|
3945 | |
---|
3946 | if 'q_range_max' in line_dict.keys(): |
---|
3947 | try: |
---|
3948 | self.q_range_min = float(line_dict['q_range_min'][0]) |
---|
3949 | self.q_range_max = float(line_dict['q_range_max'][0]) |
---|
3950 | except ValueError: |
---|
3951 | pass |
---|
3952 | self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts) |
---|
3953 | try: |
---|
3954 | button_id = int(line_dict['weighting'][0]) |
---|
3955 | for button in self.options_widget.weightingGroup.buttons(): |
---|
3956 | if abs(self.options_widget.weightingGroup.id(button)) == button_id+2: |
---|
3957 | button.setChecked(True) |
---|
3958 | break |
---|
3959 | except ValueError: |
---|
3960 | pass |
---|
3961 | |
---|
3962 | self.updateFullModel(context) |
---|
3963 | self.updateFullPolyModel(context) |
---|
3964 | self.updateFullMagnetModel(context) |
---|
3965 | |
---|
3966 | def updateMultiplicityCombo(self, multip): |
---|
3967 | """ |
---|
3968 | Find and update the multiplicity combobox |
---|
3969 | """ |
---|
3970 | index = self._model_model.index(self._n_shells_row, 1) |
---|
3971 | widget = self.lstParams.indexWidget(index) |
---|
3972 | if widget is not None and isinstance(widget, QtWidgets.QComboBox): |
---|
3973 | widget.setCurrentIndex(widget.findText(str(multip))) |
---|
3974 | self.current_shell_displayed = multip |
---|
3975 | |
---|
3976 | def updateFullModel(self, param_dict): |
---|
3977 | """ |
---|
3978 | Update the model with new parameters |
---|
3979 | """ |
---|
3980 | assert isinstance(param_dict, dict) |
---|
3981 | if not dict: |
---|
3982 | return |
---|
3983 | |
---|
3984 | def updateFittedValues(row): |
---|
3985 | # Utility function for main model update |
---|
3986 | # internal so can use closure for param_dict |
---|
3987 | param_name = str(self._model_model.item(row, 0).text()) |
---|
3988 | if param_name not in list(param_dict.keys()): |
---|
3989 | return |
---|
3990 | # Special case of combo box in the cell (multiplicity) |
---|
3991 | param_line = param_dict[param_name] |
---|
3992 | if len(param_line) == 1: |
---|
3993 | # modify the shells value |
---|
3994 | try: |
---|
3995 | combo_index = int(param_line[0]) |
---|
3996 | except ValueError: |
---|
3997 | # quietly pass |
---|
3998 | return |
---|
3999 | index = self._model_model.index(row, 1) |
---|
4000 | widget = self.lstParams.indexWidget(index) |
---|
4001 | if widget is not None and isinstance(widget, QtWidgets.QComboBox): |
---|
4002 | #widget.setCurrentIndex(combo_index) |
---|
4003 | return |
---|
4004 | # checkbox state |
---|
4005 | param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked |
---|
4006 | self._model_model.item(row, 0).setCheckState(param_checked) |
---|
4007 | |
---|
4008 | # parameter value can be either just a value or text on the combobox |
---|
4009 | param_text = param_dict[param_name][1] |
---|
4010 | index = self._model_model.index(row, 1) |
---|
4011 | widget = self.lstParams.indexWidget(index) |
---|
4012 | if widget is not None and isinstance(widget, QtWidgets.QComboBox): |
---|
4013 | # Find the right index based on text |
---|
4014 | combo_index = int(param_text, 0) |
---|
4015 | widget.setCurrentIndex(combo_index) |
---|
4016 | else: |
---|
4017 | # modify the param value |
---|
4018 | param_repr = GuiUtils.formatNumber(param_text, high=True) |
---|
4019 | self._model_model.item(row, 1).setText(param_repr) |
---|
4020 | |
---|
4021 | # Potentially the error column |
---|
4022 | ioffset = 0 |
---|
4023 | joffset = 0 |
---|
4024 | if len(param_dict[param_name])>5: |
---|
4025 | # error values are not editable - no need to update |
---|
4026 | ioffset = 1 |
---|
4027 | if self.has_error_column: |
---|
4028 | joffset = 1 |
---|
4029 | # min/max |
---|
4030 | try: |
---|
4031 | param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True) |
---|
4032 | self._model_model.item(row, 2+joffset).setText(param_repr) |
---|
4033 | param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True) |
---|
4034 | self._model_model.item(row, 3+joffset).setText(param_repr) |
---|
4035 | except: |
---|
4036 | pass |
---|
4037 | |
---|
4038 | # constraints |
---|
4039 | cons = param_dict[param_name][4+ioffset] |
---|
4040 | if cons is not None and len(cons)==5: |
---|
4041 | value = cons[0] |
---|
4042 | param = cons[1] |
---|
4043 | value_ex = cons[2] |
---|
4044 | validate = cons[3] |
---|
4045 | function = cons[4] |
---|
4046 | constraint = Constraint() |
---|
4047 | constraint.value = value |
---|
4048 | constraint.func = function |
---|
4049 | constraint.param = param |
---|
4050 | constraint.value_ex = value_ex |
---|
4051 | constraint.validate = validate |
---|
4052 | self.addConstraintToRow(constraint=constraint, row=row) |
---|
4053 | |
---|
4054 | self.setFocus() |
---|
4055 | |
---|
4056 | self.iterateOverModel(updateFittedValues) |
---|
4057 | |
---|
4058 | def updateFullPolyModel(self, param_dict): |
---|
4059 | """ |
---|
4060 | Update the polydispersity model with new parameters, create the errors column |
---|
4061 | """ |
---|
4062 | assert isinstance(param_dict, dict) |
---|
4063 | if not dict: |
---|
4064 | return |
---|
4065 | |
---|
4066 | def updateFittedValues(row): |
---|
4067 | # Utility function for main model update |
---|
4068 | # internal so can use closure for param_dict |
---|
4069 | if row >= self._poly_model.rowCount(): |
---|
4070 | return |
---|
4071 | param_name = str(self._poly_model.item(row, 0).text()).rsplit()[-1] + '.width' |
---|
4072 | if param_name not in list(param_dict.keys()): |
---|
4073 | return |
---|
4074 | # checkbox state |
---|
4075 | param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked |
---|
4076 | self._poly_model.item(row,0).setCheckState(param_checked) |
---|
4077 | |
---|
4078 | # modify the param value |
---|
4079 | param_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
4080 | self._poly_model.item(row, 1).setText(param_repr) |
---|
4081 | |
---|
4082 | # Potentially the error column |
---|
4083 | ioffset = 0 |
---|
4084 | joffset = 0 |
---|
4085 | if len(param_dict[param_name])>7: |
---|
4086 | ioffset = 1 |
---|
4087 | if self.has_poly_error_column: |
---|
4088 | joffset = 1 |
---|
4089 | # min |
---|
4090 | param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True) |
---|
4091 | self._poly_model.item(row, 2+joffset).setText(param_repr) |
---|
4092 | # max |
---|
4093 | param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True) |
---|
4094 | self._poly_model.item(row, 3+joffset).setText(param_repr) |
---|
4095 | # Npts |
---|
4096 | param_repr = GuiUtils.formatNumber(param_dict[param_name][4+ioffset], high=True) |
---|
4097 | self._poly_model.item(row, 4+joffset).setText(param_repr) |
---|
4098 | # Nsigs |
---|
4099 | param_repr = GuiUtils.formatNumber(param_dict[param_name][5+ioffset], high=True) |
---|
4100 | self._poly_model.item(row, 5+joffset).setText(param_repr) |
---|
4101 | |
---|
4102 | self.setFocus() |
---|
4103 | |
---|
4104 | self.iterateOverPolyModel(updateFittedValues) |
---|
4105 | |
---|
4106 | def updateFullMagnetModel(self, param_dict): |
---|
4107 | """ |
---|
4108 | Update the magnetism model with new parameters, create the errors column |
---|
4109 | """ |
---|
4110 | assert isinstance(param_dict, dict) |
---|
4111 | if not dict: |
---|
4112 | return |
---|
4113 | |
---|
4114 | def updateFittedValues(row): |
---|
4115 | # Utility function for main model update |
---|
4116 | # internal so can use closure for param_dict |
---|
4117 | if row >= self._magnet_model.rowCount(): |
---|
4118 | return |
---|
4119 | param_name = str(self._magnet_model.item(row, 0).text()).rsplit()[-1] |
---|
4120 | if param_name not in list(param_dict.keys()): |
---|
4121 | return |
---|
4122 | # checkbox state |
---|
4123 | param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked |
---|
4124 | self._magnet_model.item(row,0).setCheckState(param_checked) |
---|
4125 | |
---|
4126 | # modify the param value |
---|
4127 | param_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
4128 | self._magnet_model.item(row, 1).setText(param_repr) |
---|
4129 | |
---|
4130 | # Potentially the error column |
---|
4131 | ioffset = 0 |
---|
4132 | joffset = 0 |
---|
4133 | if len(param_dict[param_name])>4: |
---|
4134 | ioffset = 1 |
---|
4135 | if self.has_magnet_error_column: |
---|
4136 | joffset = 1 |
---|
4137 | # min |
---|
4138 | param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True) |
---|
4139 | self._magnet_model.item(row, 2+joffset).setText(param_repr) |
---|
4140 | # max |
---|
4141 | param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True) |
---|
4142 | self._magnet_model.item(row, 3+joffset).setText(param_repr) |
---|
4143 | |
---|
4144 | self.iterateOverMagnetModel(updateFittedValues) |
---|
4145 | |
---|
4146 | def getCurrentFitState(self, state=None): |
---|
4147 | """ |
---|
4148 | Store current state for fit_page |
---|
4149 | """ |
---|
4150 | # save model option |
---|
4151 | #if self.model is not None: |
---|
4152 | # self.disp_list = self.getDispParamList() |
---|
4153 | # state.disp_list = copy.deepcopy(self.disp_list) |
---|
4154 | # #state.model = self.model.clone() |
---|
4155 | |
---|
4156 | # Comboboxes |
---|
4157 | state.categorycombobox = self.cbCategory.currentText() |
---|
4158 | state.formfactorcombobox = self.cbModel.currentText() |
---|
4159 | if self.cbStructureFactor.isEnabled(): |
---|
4160 | state.structurecombobox = self.cbStructureFactor.currentText() |
---|
4161 | state.tcChi = self.chi2 |
---|
4162 | |
---|
4163 | state.enable2D = self.is2D |
---|
4164 | |
---|
4165 | #state.weights = copy.deepcopy(self.weights) |
---|
4166 | # save data |
---|
4167 | state.data = copy.deepcopy(self.data) |
---|
4168 | |
---|
4169 | # save plotting range |
---|
4170 | state.qmin = self.q_range_min |
---|
4171 | state.qmax = self.q_range_max |
---|
4172 | state.npts = self.npts |
---|
4173 | |
---|
4174 | # self.state.enable_disp = self.enable_disp.GetValue() |
---|
4175 | # self.state.disable_disp = self.disable_disp.GetValue() |
---|
4176 | |
---|
4177 | # self.state.enable_smearer = \ |
---|
4178 | # copy.deepcopy(self.enable_smearer.GetValue()) |
---|
4179 | # self.state.disable_smearer = \ |
---|
4180 | # copy.deepcopy(self.disable_smearer.GetValue()) |
---|
4181 | |
---|
4182 | #self.state.pinhole_smearer = \ |
---|
4183 | # copy.deepcopy(self.pinhole_smearer.GetValue()) |
---|
4184 | #self.state.slit_smearer = copy.deepcopy(self.slit_smearer.GetValue()) |
---|
4185 | #self.state.dI_noweight = copy.deepcopy(self.dI_noweight.GetValue()) |
---|
4186 | #self.state.dI_didata = copy.deepcopy(self.dI_didata.GetValue()) |
---|
4187 | #self.state.dI_sqrdata = copy.deepcopy(self.dI_sqrdata.GetValue()) |
---|
4188 | #self.state.dI_idata = copy.deepcopy(self.dI_idata.GetValue()) |
---|
4189 | |
---|
4190 | p = self.model_parameters |
---|
4191 | # save checkbutton state and txtcrtl values |
---|
4192 | state.parameters = FittingUtilities.getStandardParam(self._model_model) |
---|
4193 | state.orientation_params_disp = FittingUtilities.getOrientationParam(self.kernel_module) |
---|
4194 | |
---|
4195 | #self._copy_parameters_state(self.orientation_params_disp, self.state.orientation_params_disp) |
---|
4196 | #self._copy_parameters_state(self.parameters, self.state.parameters) |
---|
4197 | #self._copy_parameters_state(self.fittable_param, self.state.fittable_param) |
---|
4198 | #self._copy_parameters_state(self.fixed_param, self.state.fixed_param) |
---|
4199 | |
---|