[60af928] | 1 | import json |
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[cd31251] | 2 | import os |
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[60af928] | 3 | from collections import defaultdict |
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[b3e8629] | 4 | |
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[60af928] | 5 | |
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[5236449] | 6 | import logging |
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| 7 | import traceback |
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[cbcdd2c] | 8 | from twisted.internet import threads |
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[1bc27f1] | 9 | import numpy as np |
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[5236449] | 10 | |
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[4992ff2] | 11 | from PyQt5 import QtCore |
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| 12 | from PyQt5 import QtGui |
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| 13 | from PyQt5 import QtWidgets |
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| 14 | from PyQt5 import QtWebKitWidgets |
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[d6b8a1d] | 15 | # Officially QtWebEngineWidgets are the way to display HTML in Qt5, |
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| 16 | # but this module isn't ported to PyQt5 yet... |
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| 17 | # let's wait. In the meantime no Help. |
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| 18 | #from PyQt5 import QtWebEngineWidgets |
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[60af928] | 19 | |
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[5d1440e1] | 20 | from sasmodels import product |
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[60af928] | 21 | from sasmodels import generate |
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| 22 | from sasmodels import modelinfo |
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[5236449] | 23 | from sasmodels.sasview_model import load_standard_models |
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[358b39d] | 24 | from sasmodels.weights import MODELS as POLYDISPERSITY_MODELS |
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| 25 | |
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[f182f93] | 26 | from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit |
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[5236449] | 27 | |
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[83eb5208] | 28 | import sas.qtgui.Utilities.GuiUtils as GuiUtils |
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[dc5ef15] | 29 | from sas.qtgui.Utilities.CategoryInstaller import CategoryInstaller |
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| 30 | from sas.qtgui.Plotting.PlotterData import Data1D |
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| 31 | from sas.qtgui.Plotting.PlotterData import Data2D |
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[5236449] | 32 | |
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[1bc27f1] | 33 | from sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI import Ui_FittingWidgetUI |
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[dc5ef15] | 34 | from sas.qtgui.Perspectives.Fitting.FitThread import FitThread |
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[7adc2a8] | 35 | from sas.qtgui.Perspectives.Fitting.ConsoleUpdate import ConsoleUpdate |
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| 36 | |
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[dc5ef15] | 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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[4d457df] | 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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[1bc27f1] | 41 | from sas.qtgui.Perspectives.Fitting.SmearingWidget import SmearingWidget |
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| 42 | from sas.qtgui.Perspectives.Fitting.OptionsWidget import OptionsWidget |
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| 43 | from sas.qtgui.Perspectives.Fitting.FitPage import FitPage |
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[ad6b4e2] | 44 | from sas.qtgui.Perspectives.Fitting.ViewDelegate import ModelViewDelegate |
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[6011788] | 45 | from sas.qtgui.Perspectives.Fitting.ViewDelegate import PolyViewDelegate |
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[b00414d] | 46 | from sas.qtgui.Perspectives.Fitting.ViewDelegate import MagnetismViewDelegate |
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[60af928] | 47 | |
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[8222f171] | 48 | |
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[60af928] | 49 | TAB_MAGNETISM = 4 |
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| 50 | TAB_POLY = 3 |
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[cbcdd2c] | 51 | CATEGORY_DEFAULT = "Choose category..." |
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[4d457df] | 52 | CATEGORY_STRUCTURE = "Structure Factor" |
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[351b53e] | 53 | STRUCTURE_DEFAULT = "None" |
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[60af928] | 54 | |
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[358b39d] | 55 | DEFAULT_POLYDISP_FUNCTION = 'gaussian' |
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| 56 | |
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[53c771e] | 57 | USING_TWISTED = True |
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| 58 | #USING_TWISTED = False |
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[7adc2a8] | 59 | |
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[13cd397] | 60 | class ToolTippedItemModel(QtGui.QStandardItemModel): |
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[f54ce30] | 61 | """ |
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| 62 | Subclass from QStandardItemModel to allow displaying tooltips in |
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| 63 | QTableView model. |
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| 64 | """ |
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[d0dfcb2] | 65 | def __init__(self, parent=None): |
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[13cd397] | 66 | QtGui.QStandardItemModel.__init__(self,parent) |
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| 67 | |
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[fbfc488] | 68 | def headerData(self, section, orientation, role=QtCore.Qt.DisplayRole): |
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[f54ce30] | 69 | """ |
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| 70 | Displays tooltip for each column's header |
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| 71 | :param section: |
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| 72 | :param orientation: |
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| 73 | :param role: |
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| 74 | :return: |
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| 75 | """ |
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[13cd397] | 76 | if role == QtCore.Qt.ToolTipRole: |
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| 77 | if orientation == QtCore.Qt.Horizontal: |
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[b3e8629] | 78 | return str(self.header_tooltips[section]) |
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[ca7c6bd] | 79 | |
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[a95c44b] | 80 | return QtGui.QStandardItemModel.headerData(self, section, orientation, role) |
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[13cd397] | 81 | |
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[4992ff2] | 82 | class FittingWidget(QtWidgets.QWidget, Ui_FittingWidgetUI): |
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[60af928] | 83 | """ |
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[f46f6dc] | 84 | Main widget for selecting form and structure factor models |
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[60af928] | 85 | """ |
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[1bc27f1] | 86 | def __init__(self, parent=None, data=None, tab_id=1): |
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[60af928] | 87 | |
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| 88 | super(FittingWidget, self).__init__() |
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| 89 | |
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[86f88d1] | 90 | # Necessary globals |
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[cbcdd2c] | 91 | self.parent = parent |
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[2a432e7] | 92 | |
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| 93 | # Which tab is this widget displayed in? |
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| 94 | self.tab_id = tab_id |
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| 95 | |
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| 96 | # Main Data[12]D holder |
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[ee18d33] | 97 | self.logic = FittingLogic() |
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[2a432e7] | 98 | |
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| 99 | # Globals |
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| 100 | self.initializeGlobals() |
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| 101 | |
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| 102 | # Main GUI setup up |
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| 103 | self.setupUi(self) |
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| 104 | self.setWindowTitle("Fitting") |
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| 105 | |
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| 106 | # Set up tabs widgets |
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| 107 | self.initializeWidgets() |
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| 108 | |
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| 109 | # Set up models and views |
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| 110 | self.initializeModels() |
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| 111 | |
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| 112 | # Defaults for the structure factors |
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| 113 | self.setDefaultStructureCombo() |
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| 114 | |
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| 115 | # Make structure factor and model CBs disabled |
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| 116 | self.disableModelCombo() |
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| 117 | self.disableStructureCombo() |
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| 118 | |
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| 119 | # Generate the category list for display |
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| 120 | self.initializeCategoryCombo() |
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| 121 | |
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| 122 | # Connect signals to controls |
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| 123 | self.initializeSignals() |
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| 124 | |
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| 125 | # Initial control state |
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| 126 | self.initializeControls() |
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| 127 | |
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| 128 | # Display HTML content |
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[4992ff2] | 129 | self.helpView = QtWebKitWidgets.QWebView() |
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[2a432e7] | 130 | |
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[457d961] | 131 | # New font to display angstrom symbol |
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| 132 | new_font = 'font-family: -apple-system, "Helvetica Neue", "Ubuntu";' |
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| 133 | self.label_17.setStyleSheet(new_font) |
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| 134 | self.label_19.setStyleSheet(new_font) |
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| 135 | |
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[2a432e7] | 136 | self._index = None |
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| 137 | if data is not None: |
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| 138 | self.data = data |
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| 139 | |
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[53c771e] | 140 | #def close(self): |
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| 141 | # """ |
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| 142 | # Remember to kill off things on exit |
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| 143 | # """ |
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| 144 | # self.helpView.close() |
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| 145 | # del self.helpView |
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[2a432e7] | 146 | |
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| 147 | @property |
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| 148 | def data(self): |
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| 149 | return self.logic.data |
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| 150 | |
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| 151 | @data.setter |
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| 152 | def data(self, value): |
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| 153 | """ data setter """ |
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[f7d14a1] | 154 | # Value is either a list of indices for batch fitting or a simple index |
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| 155 | # for standard fitting. Assure we have a list, regardless. |
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[ee18d33] | 156 | if isinstance(value, list): |
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| 157 | self.is_batch_fitting = True |
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| 158 | else: |
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| 159 | value = [value] |
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| 160 | |
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| 161 | assert isinstance(value[0], QtGui.QStandardItem) |
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[2a432e7] | 162 | # _index contains the QIndex with data |
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[ee18d33] | 163 | self._index = value[0] |
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| 164 | |
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| 165 | # Keep reference to all datasets for batch |
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| 166 | self.all_data = value |
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[2a432e7] | 167 | |
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| 168 | # Update logics with data items |
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[f7d14a1] | 169 | # Logics.data contains only a single Data1D/Data2D object |
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[ee18d33] | 170 | self.logic.data = GuiUtils.dataFromItem(value[0]) |
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[2a432e7] | 171 | |
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| 172 | # Overwrite data type descriptor |
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| 173 | self.is2D = True if isinstance(self.logic.data, Data2D) else False |
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| 174 | |
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[f7d14a1] | 175 | # Let others know we're full of data now |
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[2a432e7] | 176 | self.data_is_loaded = True |
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| 177 | |
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| 178 | # Enable/disable UI components |
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| 179 | self.setEnablementOnDataLoad() |
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| 180 | |
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| 181 | def initializeGlobals(self): |
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| 182 | """ |
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| 183 | Initialize global variables used in this class |
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| 184 | """ |
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[cbcdd2c] | 185 | # SasModel is loaded |
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[60af928] | 186 | self.model_is_loaded = False |
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[cbcdd2c] | 187 | # Data[12]D passed and set |
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[5236449] | 188 | self.data_is_loaded = False |
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[ee18d33] | 189 | # Batch/single fitting |
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| 190 | self.is_batch_fitting = False |
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[cbcdd2c] | 191 | # Current SasModel in view |
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[5236449] | 192 | self.kernel_module = None |
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[cbcdd2c] | 193 | # Current SasModel view dimension |
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[60af928] | 194 | self.is2D = False |
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[cbcdd2c] | 195 | # Current SasModel is multishell |
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[86f88d1] | 196 | self.model_has_shells = False |
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[cbcdd2c] | 197 | # Utility variable to enable unselectable option in category combobox |
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[86f88d1] | 198 | self._previous_category_index = 0 |
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[cbcdd2c] | 199 | # Utility variable for multishell display |
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[86f88d1] | 200 | self._last_model_row = 0 |
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[cbcdd2c] | 201 | # Dictionary of {model name: model class} for the current category |
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[5236449] | 202 | self.models = {} |
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[f182f93] | 203 | # Parameters to fit |
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| 204 | self.parameters_to_fit = None |
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[180bd54] | 205 | # Fit options |
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| 206 | self.q_range_min = 0.005 |
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| 207 | self.q_range_max = 0.1 |
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| 208 | self.npts = 25 |
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| 209 | self.log_points = False |
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| 210 | self.weighting = 0 |
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[2add354] | 211 | self.chi2 = None |
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[6011788] | 212 | # Does the control support UNDO/REDO |
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| 213 | # temporarily off |
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[2241130] | 214 | self.undo_supported = False |
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| 215 | self.page_stack = [] |
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[377ade1] | 216 | self.all_data = [] |
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[8222f171] | 217 | # Polydisp widget table default index for function combobox |
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| 218 | self.orig_poly_index = 3 |
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[6011788] | 219 | |
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[d48cc19] | 220 | # Data for chosen model |
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| 221 | self.model_data = None |
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| 222 | |
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[a9b568c] | 223 | # Which shell is being currently displayed? |
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| 224 | self.current_shell_displayed = 0 |
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[0d13814] | 225 | # List of all shell-unique parameters |
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| 226 | self.shell_names = [] |
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[b00414d] | 227 | |
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| 228 | # Error column presence in parameter display |
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[f182f93] | 229 | self.has_error_column = False |
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[aca8418] | 230 | self.has_poly_error_column = False |
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[b00414d] | 231 | self.has_magnet_error_column = False |
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[a9b568c] | 232 | |
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[2a432e7] | 233 | # signal communicator |
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[cbcdd2c] | 234 | self.communicate = self.parent.communicate |
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[60af928] | 235 | |
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[2a432e7] | 236 | def initializeWidgets(self): |
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| 237 | """ |
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| 238 | Initialize widgets for tabs |
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| 239 | """ |
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[180bd54] | 240 | # Options widget |
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[4992ff2] | 241 | layout = QtWidgets.QGridLayout() |
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[180bd54] | 242 | self.options_widget = OptionsWidget(self, self.logic) |
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[1bc27f1] | 243 | layout.addWidget(self.options_widget) |
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[180bd54] | 244 | self.tabOptions.setLayout(layout) |
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| 245 | |
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[e1e3e09] | 246 | # Smearing widget |
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[4992ff2] | 247 | layout = QtWidgets.QGridLayout() |
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[e1e3e09] | 248 | self.smearing_widget = SmearingWidget(self) |
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[1bc27f1] | 249 | layout.addWidget(self.smearing_widget) |
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[180bd54] | 250 | self.tabResolution.setLayout(layout) |
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[e1e3e09] | 251 | |
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[b1e36a3] | 252 | # Define bold font for use in various controls |
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[1bc27f1] | 253 | self.boldFont = QtGui.QFont() |
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[a0f5c36] | 254 | self.boldFont.setBold(True) |
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| 255 | |
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| 256 | # Set data label |
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[b1e36a3] | 257 | self.label.setFont(self.boldFont) |
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| 258 | self.label.setText("No data loaded") |
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| 259 | self.lblFilename.setText("") |
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| 260 | |
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[6ff2eb3] | 261 | # Magnetic angles explained in one picture |
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[4992ff2] | 262 | self.magneticAnglesWidget = QtWidgets.QWidget() |
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| 263 | labl = QtWidgets.QLabel(self.magneticAnglesWidget) |
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[6ff2eb3] | 264 | pixmap = QtGui.QPixmap(GuiUtils.IMAGES_DIRECTORY_LOCATION + '/M_angles_pic.bmp') |
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| 265 | labl.setPixmap(pixmap) |
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| 266 | self.magneticAnglesWidget.setFixedSize(pixmap.width(), pixmap.height()) |
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| 267 | |
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[2a432e7] | 268 | def initializeModels(self): |
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| 269 | """ |
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| 270 | Set up models and views |
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| 271 | """ |
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[86f88d1] | 272 | # Set the main models |
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[cd31251] | 273 | # We can't use a single model here, due to restrictions on flattening |
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| 274 | # the model tree with subclassed QAbstractProxyModel... |
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[13cd397] | 275 | self._model_model = ToolTippedItemModel() |
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| 276 | self._poly_model = ToolTippedItemModel() |
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| 277 | self._magnet_model = ToolTippedItemModel() |
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[60af928] | 278 | |
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| 279 | # Param model displayed in param list |
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| 280 | self.lstParams.setModel(self._model_model) |
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[5236449] | 281 | self.readCategoryInfo() |
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[4992ff2] | 282 | |
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[60af928] | 283 | self.model_parameters = None |
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[ad6b4e2] | 284 | |
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| 285 | # Delegates for custom editing and display |
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| 286 | self.lstParams.setItemDelegate(ModelViewDelegate(self)) |
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| 287 | |
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[86f88d1] | 288 | self.lstParams.setAlternatingRowColors(True) |
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[61a92d4] | 289 | stylesheet = """ |
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[457d961] | 290 | |
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| 291 | QTreeView { |
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| 292 | paint-alternating-row-colors-for-empty-area:0; |
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| 293 | } |
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| 294 | |
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[2a432e7] | 295 | QTreeView::item:hover { |
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| 296 | background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #e7effd, stop: 1 #cbdaf1); |
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| 297 | border: 1px solid #bfcde4; |
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[61a92d4] | 298 | } |
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[2a432e7] | 299 | |
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| 300 | QTreeView::item:selected { |
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| 301 | border: 1px solid #567dbc; |
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| 302 | } |
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| 303 | |
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| 304 | QTreeView::item:selected:active{ |
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| 305 | background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6ea1f1, stop: 1 #567dbc); |
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| 306 | } |
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| 307 | |
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| 308 | QTreeView::item:selected:!active { |
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| 309 | background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6b9be8, stop: 1 #577fbf); |
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| 310 | } |
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| 311 | """ |
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[61a92d4] | 312 | self.lstParams.setStyleSheet(stylesheet) |
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[672b8ab] | 313 | self.lstParams.setContextMenuPolicy(QtCore.Qt.CustomContextMenu) |
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[2add354] | 314 | self.lstParams.customContextMenuRequested.connect(self.showModelDescription) |
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[457d961] | 315 | self.lstParams.setAttribute(QtCore.Qt.WA_MacShowFocusRect, False) |
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[60af928] | 316 | # Poly model displayed in poly list |
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[811bec1] | 317 | self.lstPoly.setModel(self._poly_model) |
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[60af928] | 318 | self.setPolyModel() |
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| 319 | self.setTableProperties(self.lstPoly) |
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[6011788] | 320 | # Delegates for custom editing and display |
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[aca8418] | 321 | self.lstPoly.setItemDelegate(PolyViewDelegate(self)) |
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| 322 | # Polydispersity function combo response |
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| 323 | self.lstPoly.itemDelegate().combo_updated.connect(self.onPolyComboIndexChange) |
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[e43fc91] | 324 | self.lstPoly.itemDelegate().filename_updated.connect(self.onPolyFilenameChange) |
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[60af928] | 325 | |
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| 326 | # Magnetism model displayed in magnetism list |
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| 327 | self.lstMagnetic.setModel(self._magnet_model) |
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| 328 | self.setMagneticModel() |
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| 329 | self.setTableProperties(self.lstMagnetic) |
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[b00414d] | 330 | # Delegates for custom editing and display |
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| 331 | self.lstMagnetic.setItemDelegate(MagnetismViewDelegate(self)) |
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[60af928] | 332 | |
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[2a432e7] | 333 | def initializeCategoryCombo(self): |
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| 334 | """ |
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| 335 | Model category combo setup |
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| 336 | """ |
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[60af928] | 337 | category_list = sorted(self.master_category_dict.keys()) |
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[86f88d1] | 338 | self.cbCategory.addItem(CATEGORY_DEFAULT) |
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[60af928] | 339 | self.cbCategory.addItems(category_list) |
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[4d457df] | 340 | self.cbCategory.addItem(CATEGORY_STRUCTURE) |
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[6f7f652] | 341 | self.cbCategory.setCurrentIndex(0) |
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[60af928] | 342 | |
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[e1e3e09] | 343 | def setEnablementOnDataLoad(self): |
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| 344 | """ |
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| 345 | Enable/disable various UI elements based on data loaded |
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| 346 | """ |
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[cbcdd2c] | 347 | # Tag along functionality |
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[b1e36a3] | 348 | self.label.setText("Data loaded from: ") |
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[a0f5c36] | 349 | self.lblFilename.setText(self.logic.data.filename) |
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[5236449] | 350 | self.updateQRange() |
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[e1e3e09] | 351 | # Switch off Data2D control |
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| 352 | self.chk2DView.setEnabled(False) |
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| 353 | self.chk2DView.setVisible(False) |
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[6ff2eb3] | 354 | self.chkMagnetism.setEnabled(self.is2D) |
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[4fdb727] | 355 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, self.is2D) |
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[ee18d33] | 356 | # Combo box or label for file name" |
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| 357 | if self.is_batch_fitting: |
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| 358 | self.lblFilename.setVisible(False) |
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| 359 | for dataitem in self.all_data: |
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| 360 | filename = GuiUtils.dataFromItem(dataitem).filename |
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| 361 | self.cbFileNames.addItem(filename) |
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| 362 | self.cbFileNames.setVisible(True) |
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[38eb433] | 363 | # This panel is not designed to view individual fits, so disable plotting |
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| 364 | self.cmdPlot.setVisible(False) |
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[180bd54] | 365 | # Similarly on other tabs |
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| 366 | self.options_widget.setEnablementOnDataLoad() |
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[f7d14a1] | 367 | self.onSelectModel() |
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[e1e3e09] | 368 | # Smearing tab |
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| 369 | self.smearing_widget.updateSmearing(self.data) |
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[60af928] | 370 | |
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[f46f6dc] | 371 | def acceptsData(self): |
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| 372 | """ Tells the caller this widget can accept new dataset """ |
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[5236449] | 373 | return not self.data_is_loaded |
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[f46f6dc] | 374 | |
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[6f7f652] | 375 | def disableModelCombo(self): |
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[cbcdd2c] | 376 | """ Disable the combobox """ |
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[6f7f652] | 377 | self.cbModel.setEnabled(False) |
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[b1e36a3] | 378 | self.lblModel.setEnabled(False) |
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[6f7f652] | 379 | |
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| 380 | def enableModelCombo(self): |
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[cbcdd2c] | 381 | """ Enable the combobox """ |
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[6f7f652] | 382 | self.cbModel.setEnabled(True) |
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[b1e36a3] | 383 | self.lblModel.setEnabled(True) |
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[6f7f652] | 384 | |
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| 385 | def disableStructureCombo(self): |
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[cbcdd2c] | 386 | """ Disable the combobox """ |
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[6f7f652] | 387 | self.cbStructureFactor.setEnabled(False) |
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[b1e36a3] | 388 | self.lblStructure.setEnabled(False) |
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[6f7f652] | 389 | |
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| 390 | def enableStructureCombo(self): |
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[cbcdd2c] | 391 | """ Enable the combobox """ |
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[6f7f652] | 392 | self.cbStructureFactor.setEnabled(True) |
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[b1e36a3] | 393 | self.lblStructure.setEnabled(True) |
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[6f7f652] | 394 | |
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[0268aed] | 395 | def togglePoly(self, isChecked): |
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[454670d] | 396 | """ Enable/disable the polydispersity tab """ |
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[0268aed] | 397 | self.tabFitting.setTabEnabled(TAB_POLY, isChecked) |
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| 398 | |
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| 399 | def toggleMagnetism(self, isChecked): |
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[454670d] | 400 | """ Enable/disable the magnetism tab """ |
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[0268aed] | 401 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked) |
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| 402 | |
---|
| 403 | def toggle2D(self, isChecked): |
---|
[454670d] | 404 | """ Enable/disable the controls dependent on 1D/2D data instance """ |
---|
[0268aed] | 405 | self.chkMagnetism.setEnabled(isChecked) |
---|
| 406 | self.is2D = isChecked |
---|
[1970780] | 407 | # Reload the current model |
---|
[e1e3e09] | 408 | if self.kernel_module: |
---|
| 409 | self.onSelectModel() |
---|
[5236449] | 410 | |
---|
[86f88d1] | 411 | def initializeControls(self): |
---|
| 412 | """ |
---|
| 413 | Set initial control enablement |
---|
| 414 | """ |
---|
[ee18d33] | 415 | self.cbFileNames.setVisible(False) |
---|
[86f88d1] | 416 | self.cmdFit.setEnabled(False) |
---|
[d48cc19] | 417 | self.cmdPlot.setEnabled(False) |
---|
[180bd54] | 418 | self.options_widget.cmdComputePoints.setVisible(False) # probably redundant |
---|
[86f88d1] | 419 | self.chkPolydispersity.setEnabled(True) |
---|
| 420 | self.chkPolydispersity.setCheckState(False) |
---|
| 421 | self.chk2DView.setEnabled(True) |
---|
| 422 | self.chk2DView.setCheckState(False) |
---|
| 423 | self.chkMagnetism.setEnabled(False) |
---|
| 424 | self.chkMagnetism.setCheckState(False) |
---|
[cbcdd2c] | 425 | # Tabs |
---|
[86f88d1] | 426 | self.tabFitting.setTabEnabled(TAB_POLY, False) |
---|
| 427 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, False) |
---|
| 428 | self.lblChi2Value.setText("---") |
---|
[e1e3e09] | 429 | # Smearing tab |
---|
| 430 | self.smearing_widget.updateSmearing(self.data) |
---|
[180bd54] | 431 | # Line edits in the option tab |
---|
| 432 | self.updateQRange() |
---|
[86f88d1] | 433 | |
---|
| 434 | def initializeSignals(self): |
---|
| 435 | """ |
---|
| 436 | Connect GUI element signals |
---|
| 437 | """ |
---|
[cbcdd2c] | 438 | # Comboboxes |
---|
[cd31251] | 439 | self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor) |
---|
| 440 | self.cbCategory.currentIndexChanged.connect(self.onSelectCategory) |
---|
| 441 | self.cbModel.currentIndexChanged.connect(self.onSelectModel) |
---|
[ee18d33] | 442 | self.cbFileNames.currentIndexChanged.connect(self.onSelectBatchFilename) |
---|
[cbcdd2c] | 443 | # Checkboxes |
---|
[86f88d1] | 444 | self.chk2DView.toggled.connect(self.toggle2D) |
---|
| 445 | self.chkPolydispersity.toggled.connect(self.togglePoly) |
---|
| 446 | self.chkMagnetism.toggled.connect(self.toggleMagnetism) |
---|
[cbcdd2c] | 447 | # Buttons |
---|
[5236449] | 448 | self.cmdFit.clicked.connect(self.onFit) |
---|
[cbcdd2c] | 449 | self.cmdPlot.clicked.connect(self.onPlot) |
---|
[2add354] | 450 | self.cmdHelp.clicked.connect(self.onHelp) |
---|
[6ff2eb3] | 451 | self.cmdMagneticDisplay.clicked.connect(self.onDisplayMagneticAngles) |
---|
[cbcdd2c] | 452 | |
---|
| 453 | # Respond to change in parameters from the UI |
---|
[b00414d] | 454 | self._model_model.itemChanged.connect(self.onMainParamsChange) |
---|
[cd31251] | 455 | self._poly_model.itemChanged.connect(self.onPolyModelChange) |
---|
[b00414d] | 456 | self._magnet_model.itemChanged.connect(self.onMagnetModelChange) |
---|
[86f88d1] | 457 | |
---|
[180bd54] | 458 | # Signals from separate tabs asking for replot |
---|
| 459 | self.options_widget.plot_signal.connect(self.onOptionsUpdate) |
---|
| 460 | |
---|
[2add354] | 461 | def showModelDescription(self, position): |
---|
| 462 | """ |
---|
| 463 | Shows a window with model description, when right clicked in the treeview |
---|
| 464 | """ |
---|
| 465 | msg = 'Model description:\n' |
---|
| 466 | if self.kernel_module is not None: |
---|
| 467 | if str(self.kernel_module.description).rstrip().lstrip() == '': |
---|
| 468 | msg += "Sorry, no information is available for this model." |
---|
| 469 | else: |
---|
| 470 | msg += self.kernel_module.description + '\n' |
---|
| 471 | else: |
---|
| 472 | msg += "You must select a model to get information on this" |
---|
| 473 | |
---|
[4992ff2] | 474 | menu = QtWidgets.QMenu() |
---|
| 475 | label = QtWidgets.QLabel(msg) |
---|
[d6b8a1d] | 476 | action = QtWidgets.QWidgetAction(self) |
---|
[672b8ab] | 477 | action.setDefaultWidget(label) |
---|
| 478 | menu.addAction(action) |
---|
| 479 | menu.exec_(self.lstParams.viewport().mapToGlobal(position)) |
---|
[2add354] | 480 | |
---|
[0268aed] | 481 | def onSelectModel(self): |
---|
[cbcdd2c] | 482 | """ |
---|
[0268aed] | 483 | Respond to select Model from list event |
---|
[cbcdd2c] | 484 | """ |
---|
[d6b8a1d] | 485 | model = self.cbModel.currentText() |
---|
[0268aed] | 486 | |
---|
[b3e8629] | 487 | # empty combobox forced to be read |
---|
| 488 | if not model: |
---|
| 489 | return |
---|
[0268aed] | 490 | # Reset structure factor |
---|
| 491 | self.cbStructureFactor.setCurrentIndex(0) |
---|
| 492 | |
---|
[f182f93] | 493 | # Reset parameters to fit |
---|
| 494 | self.parameters_to_fit = None |
---|
[d7ff531] | 495 | self.has_error_column = False |
---|
[aca8418] | 496 | self.has_poly_error_column = False |
---|
[f182f93] | 497 | |
---|
[fd1ae6d1] | 498 | self.respondToModelStructure(model=model, structure_factor=None) |
---|
| 499 | |
---|
[ee18d33] | 500 | def onSelectBatchFilename(self, data_index): |
---|
| 501 | """ |
---|
| 502 | Update the logic based on the selected file in batch fitting |
---|
| 503 | """ |
---|
| 504 | self._index = self.all_data[data_index] |
---|
| 505 | self.logic.data = GuiUtils.dataFromItem(self.all_data[data_index]) |
---|
| 506 | self.updateQRange() |
---|
| 507 | |
---|
[fd1ae6d1] | 508 | def onSelectStructureFactor(self): |
---|
| 509 | """ |
---|
| 510 | Select Structure Factor from list |
---|
| 511 | """ |
---|
| 512 | model = str(self.cbModel.currentText()) |
---|
| 513 | category = str(self.cbCategory.currentText()) |
---|
| 514 | structure = str(self.cbStructureFactor.currentText()) |
---|
| 515 | if category == CATEGORY_STRUCTURE: |
---|
| 516 | model = None |
---|
| 517 | self.respondToModelStructure(model=model, structure_factor=structure) |
---|
| 518 | |
---|
| 519 | def respondToModelStructure(self, model=None, structure_factor=None): |
---|
[d48cc19] | 520 | # Set enablement on calculate/plot |
---|
| 521 | self.cmdPlot.setEnabled(True) |
---|
| 522 | |
---|
[fd1ae6d1] | 523 | # kernel parameters -> model_model |
---|
| 524 | self.SASModelToQModel(model, structure_factor) |
---|
[0268aed] | 525 | |
---|
| 526 | if self.data_is_loaded: |
---|
[d48cc19] | 527 | self.cmdPlot.setText("Show Plot") |
---|
[0268aed] | 528 | self.calculateQGridForModel() |
---|
| 529 | else: |
---|
[d48cc19] | 530 | self.cmdPlot.setText("Calculate") |
---|
[0268aed] | 531 | # Create default datasets if no data passed |
---|
| 532 | self.createDefaultDataset() |
---|
| 533 | |
---|
[6011788] | 534 | # Update state stack |
---|
[00b3b40] | 535 | self.updateUndo() |
---|
[2add354] | 536 | |
---|
[cd31251] | 537 | def onSelectCategory(self): |
---|
[60af928] | 538 | """ |
---|
| 539 | Select Category from list |
---|
| 540 | """ |
---|
[d6b8a1d] | 541 | category = self.cbCategory.currentText() |
---|
[86f88d1] | 542 | # Check if the user chose "Choose category entry" |
---|
[4d457df] | 543 | if category == CATEGORY_DEFAULT: |
---|
[86f88d1] | 544 | # if the previous category was not the default, keep it. |
---|
| 545 | # Otherwise, just return |
---|
| 546 | if self._previous_category_index != 0: |
---|
[351b53e] | 547 | # We need to block signals, or else state changes on perceived unchanged conditions |
---|
| 548 | self.cbCategory.blockSignals(True) |
---|
[86f88d1] | 549 | self.cbCategory.setCurrentIndex(self._previous_category_index) |
---|
[351b53e] | 550 | self.cbCategory.blockSignals(False) |
---|
[86f88d1] | 551 | return |
---|
| 552 | |
---|
[4d457df] | 553 | if category == CATEGORY_STRUCTURE: |
---|
[6f7f652] | 554 | self.disableModelCombo() |
---|
| 555 | self.enableStructureCombo() |
---|
[29eb947] | 556 | self._model_model.clear() |
---|
[6f7f652] | 557 | return |
---|
| 558 | |
---|
[cbcdd2c] | 559 | # Safely clear and enable the model combo |
---|
[6f7f652] | 560 | self.cbModel.blockSignals(True) |
---|
| 561 | self.cbModel.clear() |
---|
| 562 | self.cbModel.blockSignals(False) |
---|
| 563 | self.enableModelCombo() |
---|
| 564 | self.disableStructureCombo() |
---|
| 565 | |
---|
[86f88d1] | 566 | self._previous_category_index = self.cbCategory.currentIndex() |
---|
[cbcdd2c] | 567 | # Retrieve the list of models |
---|
[4d457df] | 568 | model_list = self.master_category_dict[category] |
---|
[cbcdd2c] | 569 | # Populate the models combobox |
---|
[b1e36a3] | 570 | self.cbModel.addItems(sorted([model for (model, _) in model_list])) |
---|
[4d457df] | 571 | |
---|
[0268aed] | 572 | def onPolyModelChange(self, item): |
---|
| 573 | """ |
---|
| 574 | Callback method for updating the main model and sasmodel |
---|
| 575 | parameters with the GUI values in the polydispersity view |
---|
| 576 | """ |
---|
| 577 | model_column = item.column() |
---|
| 578 | model_row = item.row() |
---|
| 579 | name_index = self._poly_model.index(model_row, 0) |
---|
[7fb471d] | 580 | parameter_name = str(name_index.data()).lower() # "distribution of sld" etc. |
---|
[c1e380e] | 581 | if "distribution of" in parameter_name: |
---|
[358b39d] | 582 | # just the last word |
---|
| 583 | parameter_name = parameter_name.rsplit()[-1] |
---|
[c1e380e] | 584 | |
---|
[06b0138] | 585 | # Extract changed value. |
---|
[8eaa101] | 586 | if model_column == self.lstPoly.itemDelegate().poly_parameter: |
---|
[00b3b40] | 587 | # Is the parameter checked for fitting? |
---|
[0268aed] | 588 | value = item.checkState() |
---|
[1643d8ed] | 589 | parameter_name = parameter_name + '.width' |
---|
[c1e380e] | 590 | if value == QtCore.Qt.Checked: |
---|
| 591 | self.parameters_to_fit.append(parameter_name) |
---|
| 592 | else: |
---|
| 593 | if parameter_name in self.parameters_to_fit: |
---|
| 594 | self.parameters_to_fit.remove(parameter_name) |
---|
[b00414d] | 595 | self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded) |
---|
[c1e380e] | 596 | return |
---|
[8eaa101] | 597 | elif model_column in [self.lstPoly.itemDelegate().poly_min, self.lstPoly.itemDelegate().poly_max]: |
---|
[aca8418] | 598 | try: |
---|
[fbfc488] | 599 | value = GuiUtils.toDouble(item.text()) |
---|
[aca8418] | 600 | except ValueError: |
---|
| 601 | # Can't be converted properly, bring back the old value and exit |
---|
| 602 | return |
---|
| 603 | |
---|
| 604 | current_details = self.kernel_module.details[parameter_name] |
---|
| 605 | current_details[model_column-1] = value |
---|
[8eaa101] | 606 | elif model_column == self.lstPoly.itemDelegate().poly_function: |
---|
[919d47c] | 607 | # name of the function - just pass |
---|
| 608 | return |
---|
[e43fc91] | 609 | elif model_column == self.lstPoly.itemDelegate().poly_filename: |
---|
| 610 | # filename for array - just pass |
---|
| 611 | return |
---|
[0268aed] | 612 | else: |
---|
| 613 | try: |
---|
[fbfc488] | 614 | value = GuiUtils.toDouble(item.text()) |
---|
[0268aed] | 615 | except ValueError: |
---|
| 616 | # Can't be converted properly, bring back the old value and exit |
---|
| 617 | return |
---|
| 618 | |
---|
[aca8418] | 619 | # Update the sasmodel |
---|
| 620 | # PD[ratio] -> width, npts -> npts, nsigs -> nsigmas |
---|
[919d47c] | 621 | self.kernel_module.setParam(parameter_name + '.' + \ |
---|
[8eaa101] | 622 | self.lstPoly.itemDelegate().columnDict()[model_column], value) |
---|
[0268aed] | 623 | |
---|
[b00414d] | 624 | def onMagnetModelChange(self, item): |
---|
| 625 | """ |
---|
| 626 | Callback method for updating the sasmodel magnetic parameters with the GUI values |
---|
| 627 | """ |
---|
| 628 | model_column = item.column() |
---|
| 629 | model_row = item.row() |
---|
| 630 | name_index = self._magnet_model.index(model_row, 0) |
---|
[fbfc488] | 631 | parameter_name = str(self._magnet_model.data(name_index)) |
---|
[b00414d] | 632 | |
---|
| 633 | if model_column == 0: |
---|
| 634 | value = item.checkState() |
---|
| 635 | if value == QtCore.Qt.Checked: |
---|
| 636 | self.parameters_to_fit.append(parameter_name) |
---|
| 637 | else: |
---|
| 638 | if parameter_name in self.parameters_to_fit: |
---|
| 639 | self.parameters_to_fit.remove(parameter_name) |
---|
| 640 | self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded) |
---|
| 641 | # Update state stack |
---|
| 642 | self.updateUndo() |
---|
| 643 | return |
---|
| 644 | |
---|
| 645 | # Extract changed value. |
---|
| 646 | try: |
---|
[fbfc488] | 647 | value = GuiUtils.toDouble(item.text()) |
---|
[b00414d] | 648 | except ValueError: |
---|
| 649 | # Unparsable field |
---|
| 650 | return |
---|
| 651 | |
---|
[fbfc488] | 652 | property_index = self._magnet_model.headerData(1, model_column)-1 # Value, min, max, etc. |
---|
[b00414d] | 653 | |
---|
| 654 | # Update the parameter value - note: this supports +/-inf as well |
---|
| 655 | self.kernel_module.params[parameter_name] = value |
---|
| 656 | |
---|
| 657 | # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf] |
---|
| 658 | self.kernel_module.details[parameter_name][property_index] = value |
---|
| 659 | |
---|
| 660 | # Force the chart update when actual parameters changed |
---|
| 661 | if model_column == 1: |
---|
| 662 | self.recalculatePlotData() |
---|
| 663 | |
---|
| 664 | # Update state stack |
---|
| 665 | self.updateUndo() |
---|
| 666 | |
---|
[2add354] | 667 | def onHelp(self): |
---|
| 668 | """ |
---|
| 669 | Show the "Fitting" section of help |
---|
| 670 | """ |
---|
[b0c5e8c] | 671 | tree_location = GuiUtils.HELP_DIRECTORY_LOCATION + "/user/sasgui/perspectives/fitting/" |
---|
[70080a0] | 672 | |
---|
| 673 | # Actual file will depend on the current tab |
---|
| 674 | tab_id = self.tabFitting.currentIndex() |
---|
| 675 | helpfile = "fitting.html" |
---|
| 676 | if tab_id == 0: |
---|
| 677 | helpfile = "fitting_help.html" |
---|
| 678 | elif tab_id == 1: |
---|
| 679 | helpfile = "residuals_help.html" |
---|
| 680 | elif tab_id == 2: |
---|
| 681 | helpfile = "sm_help.html" |
---|
| 682 | elif tab_id == 3: |
---|
| 683 | helpfile = "pd_help.html" |
---|
| 684 | elif tab_id == 4: |
---|
| 685 | helpfile = "mag_help.html" |
---|
| 686 | help_location = tree_location + helpfile |
---|
[d6b8a1d] | 687 | |
---|
| 688 | content = QtCore.QUrl(help_location) |
---|
[70080a0] | 689 | self.helpView.load(QtCore.QUrl(help_location)) |
---|
[2add354] | 690 | self.helpView.show() |
---|
| 691 | |
---|
[6ff2eb3] | 692 | def onDisplayMagneticAngles(self): |
---|
| 693 | """ |
---|
| 694 | Display a simple image showing direction of magnetic angles |
---|
| 695 | """ |
---|
| 696 | self.magneticAnglesWidget.show() |
---|
| 697 | |
---|
[0268aed] | 698 | def onFit(self): |
---|
| 699 | """ |
---|
| 700 | Perform fitting on the current data |
---|
| 701 | """ |
---|
[f182f93] | 702 | |
---|
| 703 | # Data going in |
---|
| 704 | data = self.logic.data |
---|
| 705 | model = self.kernel_module |
---|
| 706 | qmin = self.q_range_min |
---|
| 707 | qmax = self.q_range_max |
---|
| 708 | params_to_fit = self.parameters_to_fit |
---|
| 709 | |
---|
[180bd54] | 710 | # Potential weights added directly to data |
---|
[9d266d2] | 711 | self.addWeightingToData(data) |
---|
| 712 | |
---|
[98b13f72] | 713 | # Potential smearing added |
---|
[180bd54] | 714 | # Remember that smearing_min/max can be None -> |
---|
| 715 | # deal with it until Python gets discriminated unions |
---|
[98b13f72] | 716 | smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() |
---|
| 717 | |
---|
[f182f93] | 718 | # These should be updating somehow? |
---|
| 719 | fit_id = 0 |
---|
| 720 | constraints = [] |
---|
| 721 | smearer = None |
---|
| 722 | page_id = [210] |
---|
| 723 | handler = None |
---|
| 724 | batch_inputs = {} |
---|
| 725 | batch_outputs = {} |
---|
| 726 | list_page_id = [page_id] |
---|
| 727 | #--------------------------------- |
---|
[7adc2a8] | 728 | if USING_TWISTED: |
---|
| 729 | handler = None |
---|
| 730 | updater = None |
---|
| 731 | else: |
---|
| 732 | handler = ConsoleUpdate(parent=self.parent, |
---|
| 733 | manager=self, |
---|
| 734 | improvement_delta=0.1) |
---|
| 735 | updater = handler.update_fit |
---|
[f182f93] | 736 | |
---|
| 737 | # Parameterize the fitter |
---|
[ee18d33] | 738 | fitters = [] |
---|
| 739 | for fit_index in self.all_data: |
---|
| 740 | fitter = Fit() |
---|
| 741 | data = GuiUtils.dataFromItem(fit_index) |
---|
[d6b8a1d] | 742 | try: |
---|
| 743 | fitter.set_model(model, fit_id, params_to_fit, data=data, |
---|
[ee18d33] | 744 | constraints=constraints) |
---|
[d6b8a1d] | 745 | except ValueError as ex: |
---|
| 746 | logging.error("Setting model parameters failed with: %s" % ex) |
---|
| 747 | return |
---|
| 748 | |
---|
[ee18d33] | 749 | qmin, qmax, _ = self.logic.computeRangeFromData(data) |
---|
| 750 | fitter.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin, |
---|
| 751 | qmax=qmax) |
---|
| 752 | fitter.select_problem_for_fit(id=fit_id, value=1) |
---|
| 753 | fitter.fitter_id = page_id |
---|
| 754 | fit_id += 1 |
---|
| 755 | fitters.append(fitter) |
---|
[f182f93] | 756 | |
---|
| 757 | # Create the fitting thread, based on the fitter |
---|
[ee18d33] | 758 | completefn = self.batchFitComplete if self.is_batch_fitting else self.fitComplete |
---|
| 759 | |
---|
[f182f93] | 760 | calc_fit = FitThread(handler=handler, |
---|
[ee18d33] | 761 | fn=fitters, |
---|
| 762 | batch_inputs=batch_inputs, |
---|
| 763 | batch_outputs=batch_outputs, |
---|
| 764 | page_id=list_page_id, |
---|
| 765 | updatefn=updater, |
---|
| 766 | completefn=completefn) |
---|
[7adc2a8] | 767 | |
---|
| 768 | if USING_TWISTED: |
---|
| 769 | # start the trhrhread with twisted |
---|
| 770 | calc_thread = threads.deferToThread(calc_fit.compute) |
---|
| 771 | calc_thread.addCallback(self.fitComplete) |
---|
| 772 | calc_thread.addErrback(self.fitFailed) |
---|
| 773 | else: |
---|
| 774 | # Use the old python threads + Queue |
---|
| 775 | calc_fit.queue() |
---|
| 776 | calc_fit.ready(2.5) |
---|
[f182f93] | 777 | |
---|
| 778 | |
---|
| 779 | #disable the Fit button |
---|
[7adc2a8] | 780 | self.cmdFit.setText('Running...') |
---|
[d7ff531] | 781 | self.communicate.statusBarUpdateSignal.emit('Fitting started...') |
---|
[f182f93] | 782 | self.cmdFit.setEnabled(False) |
---|
[0268aed] | 783 | |
---|
[f182f93] | 784 | def updateFit(self): |
---|
| 785 | """ |
---|
| 786 | """ |
---|
[b3e8629] | 787 | print("UPDATE FIT") |
---|
[0268aed] | 788 | pass |
---|
| 789 | |
---|
[02ddfb4] | 790 | def fitFailed(self, reason): |
---|
| 791 | """ |
---|
| 792 | """ |
---|
[b3e8629] | 793 | print("FIT FAILED: ", reason) |
---|
[02ddfb4] | 794 | pass |
---|
| 795 | |
---|
[ee18d33] | 796 | def batchFitComplete(self, result): |
---|
| 797 | """ |
---|
| 798 | Receive and display batch fitting results |
---|
| 799 | """ |
---|
| 800 | #re-enable the Fit button |
---|
| 801 | self.cmdFit.setText("Fit") |
---|
| 802 | self.cmdFit.setEnabled(True) |
---|
| 803 | |
---|
| 804 | print ("BATCH FITTING FINISHED") |
---|
| 805 | # Add the Qt version of wx.aui.AuiNotebook and populate it |
---|
| 806 | pass |
---|
| 807 | |
---|
[f182f93] | 808 | def fitComplete(self, result): |
---|
| 809 | """ |
---|
| 810 | Receive and display fitting results |
---|
| 811 | "result" is a tuple of actual result list and the fit time in seconds |
---|
| 812 | """ |
---|
| 813 | #re-enable the Fit button |
---|
| 814 | self.cmdFit.setText("Fit") |
---|
| 815 | self.cmdFit.setEnabled(True) |
---|
[d7ff531] | 816 | |
---|
| 817 | assert result is not None |
---|
| 818 | |
---|
[ee18d33] | 819 | res_list = result[0][0] |
---|
[f182f93] | 820 | res = res_list[0] |
---|
| 821 | if res.fitness is None or \ |
---|
[180bd54] | 822 | not np.isfinite(res.fitness) or \ |
---|
[1bc27f1] | 823 | np.any(res.pvec is None) or \ |
---|
[180bd54] | 824 | not np.all(np.isfinite(res.pvec)): |
---|
[f182f93] | 825 | msg = "Fitting did not converge!!!" |
---|
[454670d] | 826 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
[f182f93] | 827 | logging.error(msg) |
---|
| 828 | return |
---|
| 829 | |
---|
| 830 | elapsed = result[1] |
---|
| 831 | msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed) |
---|
| 832 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
| 833 | |
---|
[2add354] | 834 | self.chi2 = res.fitness |
---|
[aca8418] | 835 | param_list = res.param_list # ['radius', 'radius.width'] |
---|
| 836 | param_values = res.pvec # array([ 0.36221662, 0.0146783 ]) |
---|
| 837 | param_stderr = res.stderr # array([ 1.71293015, 1.71294233]) |
---|
[b3e8629] | 838 | params_and_errors = list(zip(param_values, param_stderr)) |
---|
| 839 | param_dict = dict(zip(param_list, params_and_errors)) |
---|
[f182f93] | 840 | |
---|
| 841 | # Dictionary of fitted parameter: value, error |
---|
| 842 | # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)} |
---|
| 843 | self.updateModelFromList(param_dict) |
---|
| 844 | |
---|
[aca8418] | 845 | self.updatePolyModelFromList(param_dict) |
---|
| 846 | |
---|
[b00414d] | 847 | self.updateMagnetModelFromList(param_dict) |
---|
| 848 | |
---|
[d7ff531] | 849 | # update charts |
---|
| 850 | self.onPlot() |
---|
| 851 | |
---|
[f182f93] | 852 | # Read only value - we can get away by just printing it here |
---|
[2add354] | 853 | chi2_repr = GuiUtils.formatNumber(self.chi2, high=True) |
---|
[f182f93] | 854 | self.lblChi2Value.setText(chi2_repr) |
---|
| 855 | |
---|
| 856 | def iterateOverModel(self, func): |
---|
| 857 | """ |
---|
| 858 | Take func and throw it inside the model row loop |
---|
| 859 | """ |
---|
[b3e8629] | 860 | for row_i in range(self._model_model.rowCount()): |
---|
[f182f93] | 861 | func(row_i) |
---|
| 862 | |
---|
| 863 | def updateModelFromList(self, param_dict): |
---|
| 864 | """ |
---|
| 865 | Update the model with new parameters, create the errors column |
---|
| 866 | """ |
---|
| 867 | assert isinstance(param_dict, dict) |
---|
| 868 | if not dict: |
---|
| 869 | return |
---|
| 870 | |
---|
[919d47c] | 871 | def updateFittedValues(row): |
---|
[f182f93] | 872 | # Utility function for main model update |
---|
[d7ff531] | 873 | # internal so can use closure for param_dict |
---|
[919d47c] | 874 | param_name = str(self._model_model.item(row, 0).text()) |
---|
[b3e8629] | 875 | if param_name not in list(param_dict.keys()): |
---|
[f182f93] | 876 | return |
---|
| 877 | # modify the param value |
---|
[454670d] | 878 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
[919d47c] | 879 | self._model_model.item(row, 1).setText(param_repr) |
---|
[f182f93] | 880 | if self.has_error_column: |
---|
[454670d] | 881 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
[919d47c] | 882 | self._model_model.item(row, 2).setText(error_repr) |
---|
[f182f93] | 883 | |
---|
[919d47c] | 884 | def updatePolyValues(row): |
---|
| 885 | # Utility function for updateof polydispersity part of the main model |
---|
| 886 | param_name = str(self._model_model.item(row, 0).text())+'.width' |
---|
[b3e8629] | 887 | if param_name not in list(param_dict.keys()): |
---|
[919d47c] | 888 | return |
---|
| 889 | # modify the param value |
---|
| 890 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
| 891 | self._model_model.item(row, 0).child(0).child(0,1).setText(param_repr) |
---|
| 892 | |
---|
| 893 | def createErrorColumn(row): |
---|
[f182f93] | 894 | # Utility function for error column update |
---|
| 895 | item = QtGui.QStandardItem() |
---|
[919d47c] | 896 | def createItem(param_name): |
---|
[f182f93] | 897 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
| 898 | item.setText(error_repr) |
---|
[919d47c] | 899 | def curr_param(): |
---|
| 900 | return str(self._model_model.item(row, 0).text()) |
---|
| 901 | |
---|
[b3e8629] | 902 | [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name] |
---|
[919d47c] | 903 | |
---|
[f182f93] | 904 | error_column.append(item) |
---|
| 905 | |
---|
[2da5759] | 906 | # block signals temporarily, so we don't end up |
---|
| 907 | # updating charts with every single model change on the end of fitting |
---|
| 908 | self._model_model.blockSignals(True) |
---|
[d7ff531] | 909 | self.iterateOverModel(updateFittedValues) |
---|
[919d47c] | 910 | self.iterateOverModel(updatePolyValues) |
---|
[2da5759] | 911 | self._model_model.blockSignals(False) |
---|
[f182f93] | 912 | |
---|
| 913 | if self.has_error_column: |
---|
| 914 | return |
---|
| 915 | |
---|
| 916 | error_column = [] |
---|
[8f2548c] | 917 | self.lstParams.itemDelegate().addErrorColumn() |
---|
[d7ff531] | 918 | self.iterateOverModel(createErrorColumn) |
---|
[f182f93] | 919 | |
---|
[d7ff531] | 920 | # switch off reponse to model change |
---|
| 921 | self._model_model.blockSignals(True) |
---|
[f182f93] | 922 | self._model_model.insertColumn(2, error_column) |
---|
[d7ff531] | 923 | self._model_model.blockSignals(False) |
---|
[f182f93] | 924 | FittingUtilities.addErrorHeadersToModel(self._model_model) |
---|
[d7ff531] | 925 | # Adjust the table cells width. |
---|
| 926 | # TODO: find a way to dynamically adjust column width while resized expanding |
---|
| 927 | self.lstParams.resizeColumnToContents(0) |
---|
| 928 | self.lstParams.resizeColumnToContents(4) |
---|
| 929 | self.lstParams.resizeColumnToContents(5) |
---|
[4992ff2] | 930 | self.lstParams.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding) |
---|
[d7ff531] | 931 | |
---|
| 932 | self.has_error_column = True |
---|
[f182f93] | 933 | |
---|
[aca8418] | 934 | def updatePolyModelFromList(self, param_dict): |
---|
| 935 | """ |
---|
| 936 | Update the polydispersity model with new parameters, create the errors column |
---|
| 937 | """ |
---|
| 938 | assert isinstance(param_dict, dict) |
---|
| 939 | if not dict: |
---|
| 940 | return |
---|
| 941 | |
---|
[b00414d] | 942 | def iterateOverPolyModel(func): |
---|
| 943 | """ |
---|
| 944 | Take func and throw it inside the poly model row loop |
---|
| 945 | """ |
---|
[b3e8629] | 946 | for row_i in range(self._poly_model.rowCount()): |
---|
[b00414d] | 947 | func(row_i) |
---|
| 948 | |
---|
[aca8418] | 949 | def updateFittedValues(row_i): |
---|
| 950 | # Utility function for main model update |
---|
| 951 | # internal so can use closure for param_dict |
---|
| 952 | if row_i >= self._poly_model.rowCount(): |
---|
| 953 | return |
---|
| 954 | param_name = str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width' |
---|
[b3e8629] | 955 | if param_name not in list(param_dict.keys()): |
---|
[aca8418] | 956 | return |
---|
| 957 | # modify the param value |
---|
| 958 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
| 959 | self._poly_model.item(row_i, 1).setText(param_repr) |
---|
| 960 | if self.has_poly_error_column: |
---|
| 961 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
| 962 | self._poly_model.item(row_i, 2).setText(error_repr) |
---|
| 963 | |
---|
[919d47c] | 964 | |
---|
[aca8418] | 965 | def createErrorColumn(row_i): |
---|
| 966 | # Utility function for error column update |
---|
| 967 | if row_i >= self._poly_model.rowCount(): |
---|
| 968 | return |
---|
| 969 | item = QtGui.QStandardItem() |
---|
[919d47c] | 970 | |
---|
| 971 | def createItem(param_name): |
---|
[aca8418] | 972 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
| 973 | item.setText(error_repr) |
---|
[919d47c] | 974 | |
---|
| 975 | def poly_param(): |
---|
| 976 | return str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width' |
---|
| 977 | |
---|
[b3e8629] | 978 | [createItem(param_name) for param_name in list(param_dict.keys()) if poly_param() == param_name] |
---|
[919d47c] | 979 | |
---|
[aca8418] | 980 | error_column.append(item) |
---|
| 981 | |
---|
| 982 | # block signals temporarily, so we don't end up |
---|
| 983 | # updating charts with every single model change on the end of fitting |
---|
| 984 | self._poly_model.blockSignals(True) |
---|
[b00414d] | 985 | iterateOverPolyModel(updateFittedValues) |
---|
[aca8418] | 986 | self._poly_model.blockSignals(False) |
---|
| 987 | |
---|
| 988 | if self.has_poly_error_column: |
---|
| 989 | return |
---|
| 990 | |
---|
[8eaa101] | 991 | self.lstPoly.itemDelegate().addErrorColumn() |
---|
[aca8418] | 992 | error_column = [] |
---|
[b00414d] | 993 | iterateOverPolyModel(createErrorColumn) |
---|
[aca8418] | 994 | |
---|
| 995 | # switch off reponse to model change |
---|
| 996 | self._poly_model.blockSignals(True) |
---|
| 997 | self._poly_model.insertColumn(2, error_column) |
---|
| 998 | self._poly_model.blockSignals(False) |
---|
| 999 | FittingUtilities.addErrorPolyHeadersToModel(self._poly_model) |
---|
| 1000 | |
---|
| 1001 | self.has_poly_error_column = True |
---|
| 1002 | |
---|
[b00414d] | 1003 | def updateMagnetModelFromList(self, param_dict): |
---|
| 1004 | """ |
---|
| 1005 | Update the magnetic model with new parameters, create the errors column |
---|
| 1006 | """ |
---|
| 1007 | assert isinstance(param_dict, dict) |
---|
| 1008 | if not dict: |
---|
| 1009 | return |
---|
[cee5c78] | 1010 | if self._model_model.rowCount() == 0: |
---|
| 1011 | return |
---|
[b00414d] | 1012 | |
---|
| 1013 | def iterateOverMagnetModel(func): |
---|
| 1014 | """ |
---|
| 1015 | Take func and throw it inside the magnet model row loop |
---|
| 1016 | """ |
---|
[b3e8629] | 1017 | for row_i in range(self._model_model.rowCount()): |
---|
[b00414d] | 1018 | func(row_i) |
---|
| 1019 | |
---|
| 1020 | def updateFittedValues(row): |
---|
| 1021 | # Utility function for main model update |
---|
| 1022 | # internal so can use closure for param_dict |
---|
[cee5c78] | 1023 | if self._magnet_model.item(row, 0) is None: |
---|
| 1024 | return |
---|
[b00414d] | 1025 | param_name = str(self._magnet_model.item(row, 0).text()) |
---|
[b3e8629] | 1026 | if param_name not in list(param_dict.keys()): |
---|
[b00414d] | 1027 | return |
---|
| 1028 | # modify the param value |
---|
| 1029 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
| 1030 | self._magnet_model.item(row, 1).setText(param_repr) |
---|
| 1031 | if self.has_magnet_error_column: |
---|
| 1032 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
| 1033 | self._magnet_model.item(row, 2).setText(error_repr) |
---|
| 1034 | |
---|
| 1035 | def createErrorColumn(row): |
---|
| 1036 | # Utility function for error column update |
---|
| 1037 | item = QtGui.QStandardItem() |
---|
| 1038 | def createItem(param_name): |
---|
| 1039 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
| 1040 | item.setText(error_repr) |
---|
| 1041 | def curr_param(): |
---|
| 1042 | return str(self._magnet_model.item(row, 0).text()) |
---|
| 1043 | |
---|
[b3e8629] | 1044 | [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name] |
---|
[b00414d] | 1045 | |
---|
| 1046 | error_column.append(item) |
---|
| 1047 | |
---|
| 1048 | # block signals temporarily, so we don't end up |
---|
| 1049 | # updating charts with every single model change on the end of fitting |
---|
| 1050 | self._magnet_model.blockSignals(True) |
---|
| 1051 | iterateOverMagnetModel(updateFittedValues) |
---|
| 1052 | self._magnet_model.blockSignals(False) |
---|
| 1053 | |
---|
| 1054 | if self.has_magnet_error_column: |
---|
| 1055 | return |
---|
| 1056 | |
---|
| 1057 | self.lstMagnetic.itemDelegate().addErrorColumn() |
---|
| 1058 | error_column = [] |
---|
| 1059 | iterateOverMagnetModel(createErrorColumn) |
---|
| 1060 | |
---|
| 1061 | # switch off reponse to model change |
---|
| 1062 | self._magnet_model.blockSignals(True) |
---|
| 1063 | self._magnet_model.insertColumn(2, error_column) |
---|
| 1064 | self._magnet_model.blockSignals(False) |
---|
| 1065 | FittingUtilities.addErrorHeadersToModel(self._magnet_model) |
---|
| 1066 | |
---|
| 1067 | self.has_magnet_error_column = True |
---|
| 1068 | |
---|
[0268aed] | 1069 | def onPlot(self): |
---|
| 1070 | """ |
---|
| 1071 | Plot the current set of data |
---|
| 1072 | """ |
---|
[d48cc19] | 1073 | # Regardless of previous state, this should now be `plot show` functionality only |
---|
| 1074 | self.cmdPlot.setText("Show Plot") |
---|
[88e1f57] | 1075 | # Force data recalculation so existing charts are updated |
---|
| 1076 | self.recalculatePlotData() |
---|
[d48cc19] | 1077 | self.showPlot() |
---|
| 1078 | |
---|
| 1079 | def recalculatePlotData(self): |
---|
| 1080 | """ |
---|
| 1081 | Generate a new dataset for model |
---|
| 1082 | """ |
---|
[180bd54] | 1083 | if not self.data_is_loaded: |
---|
[0268aed] | 1084 | self.createDefaultDataset() |
---|
| 1085 | self.calculateQGridForModel() |
---|
| 1086 | |
---|
[d48cc19] | 1087 | def showPlot(self): |
---|
| 1088 | """ |
---|
| 1089 | Show the current plot in MPL |
---|
| 1090 | """ |
---|
| 1091 | # Show the chart if ready |
---|
| 1092 | data_to_show = self.data if self.data_is_loaded else self.model_data |
---|
| 1093 | if data_to_show is not None: |
---|
| 1094 | self.communicate.plotRequestedSignal.emit([data_to_show]) |
---|
| 1095 | |
---|
[180bd54] | 1096 | def onOptionsUpdate(self): |
---|
[0268aed] | 1097 | """ |
---|
[180bd54] | 1098 | Update local option values and replot |
---|
[0268aed] | 1099 | """ |
---|
[180bd54] | 1100 | self.q_range_min, self.q_range_max, self.npts, self.log_points, self.weighting = \ |
---|
| 1101 | self.options_widget.state() |
---|
[61a92d4] | 1102 | # set Q range labels on the main tab |
---|
| 1103 | self.lblMinRangeDef.setText(str(self.q_range_min)) |
---|
| 1104 | self.lblMaxRangeDef.setText(str(self.q_range_max)) |
---|
[d48cc19] | 1105 | self.recalculatePlotData() |
---|
[6c8fb2c] | 1106 | |
---|
[0268aed] | 1107 | def setDefaultStructureCombo(self): |
---|
| 1108 | """ |
---|
| 1109 | Fill in the structure factors combo box with defaults |
---|
| 1110 | """ |
---|
| 1111 | structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE) |
---|
| 1112 | factors = [factor[0] for factor in structure_factor_list] |
---|
| 1113 | factors.insert(0, STRUCTURE_DEFAULT) |
---|
| 1114 | self.cbStructureFactor.clear() |
---|
| 1115 | self.cbStructureFactor.addItems(sorted(factors)) |
---|
| 1116 | |
---|
[4d457df] | 1117 | def createDefaultDataset(self): |
---|
| 1118 | """ |
---|
| 1119 | Generate default Dataset 1D/2D for the given model |
---|
| 1120 | """ |
---|
| 1121 | # Create default datasets if no data passed |
---|
| 1122 | if self.is2D: |
---|
[180bd54] | 1123 | qmax = self.q_range_max/np.sqrt(2) |
---|
[4d457df] | 1124 | qstep = self.npts |
---|
| 1125 | self.logic.createDefault2dData(qmax, qstep, self.tab_id) |
---|
[180bd54] | 1126 | return |
---|
| 1127 | elif self.log_points: |
---|
| 1128 | qmin = -10.0 if self.q_range_min < 1.e-10 else np.log10(self.q_range_min) |
---|
[1bc27f1] | 1129 | qmax = 10.0 if self.q_range_max > 1.e10 else np.log10(self.q_range_max) |
---|
[180bd54] | 1130 | interval = np.logspace(start=qmin, stop=qmax, num=self.npts, endpoint=True, base=10.0) |
---|
[4d457df] | 1131 | else: |
---|
[180bd54] | 1132 | interval = np.linspace(start=self.q_range_min, stop=self.q_range_max, |
---|
[1bc27f1] | 1133 | num=self.npts, endpoint=True) |
---|
[180bd54] | 1134 | self.logic.createDefault1dData(interval, self.tab_id) |
---|
[60af928] | 1135 | |
---|
[5236449] | 1136 | def readCategoryInfo(self): |
---|
[60af928] | 1137 | """ |
---|
| 1138 | Reads the categories in from file |
---|
| 1139 | """ |
---|
| 1140 | self.master_category_dict = defaultdict(list) |
---|
| 1141 | self.by_model_dict = defaultdict(list) |
---|
| 1142 | self.model_enabled_dict = defaultdict(bool) |
---|
| 1143 | |
---|
[cbcdd2c] | 1144 | categorization_file = CategoryInstaller.get_user_file() |
---|
| 1145 | if not os.path.isfile(categorization_file): |
---|
| 1146 | categorization_file = CategoryInstaller.get_default_file() |
---|
| 1147 | with open(categorization_file, 'rb') as cat_file: |
---|
[60af928] | 1148 | self.master_category_dict = json.load(cat_file) |
---|
[5236449] | 1149 | self.regenerateModelDict() |
---|
[60af928] | 1150 | |
---|
[5236449] | 1151 | # Load the model dict |
---|
| 1152 | models = load_standard_models() |
---|
| 1153 | for model in models: |
---|
| 1154 | self.models[model.name] = model |
---|
| 1155 | |
---|
| 1156 | def regenerateModelDict(self): |
---|
[60af928] | 1157 | """ |
---|
[cbcdd2c] | 1158 | Regenerates self.by_model_dict which has each model name as the |
---|
[60af928] | 1159 | key and the list of categories belonging to that model |
---|
| 1160 | along with the enabled mapping |
---|
| 1161 | """ |
---|
| 1162 | self.by_model_dict = defaultdict(list) |
---|
| 1163 | for category in self.master_category_dict: |
---|
| 1164 | for (model, enabled) in self.master_category_dict[category]: |
---|
| 1165 | self.by_model_dict[model].append(category) |
---|
| 1166 | self.model_enabled_dict[model] = enabled |
---|
| 1167 | |
---|
[86f88d1] | 1168 | def addBackgroundToModel(self, model): |
---|
| 1169 | """ |
---|
| 1170 | Adds background parameter with default values to the model |
---|
| 1171 | """ |
---|
[cbcdd2c] | 1172 | assert isinstance(model, QtGui.QStandardItemModel) |
---|
[86f88d1] | 1173 | checked_list = ['background', '0.001', '-inf', 'inf', '1/cm'] |
---|
[4d457df] | 1174 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
[2add354] | 1175 | last_row = model.rowCount()-1 |
---|
| 1176 | model.item(last_row, 0).setEditable(False) |
---|
| 1177 | model.item(last_row, 4).setEditable(False) |
---|
[86f88d1] | 1178 | |
---|
| 1179 | def addScaleToModel(self, model): |
---|
| 1180 | """ |
---|
| 1181 | Adds scale parameter with default values to the model |
---|
| 1182 | """ |
---|
[cbcdd2c] | 1183 | assert isinstance(model, QtGui.QStandardItemModel) |
---|
[86f88d1] | 1184 | checked_list = ['scale', '1.0', '0.0', 'inf', ''] |
---|
[4d457df] | 1185 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
[2add354] | 1186 | last_row = model.rowCount()-1 |
---|
| 1187 | model.item(last_row, 0).setEditable(False) |
---|
| 1188 | model.item(last_row, 4).setEditable(False) |
---|
[86f88d1] | 1189 | |
---|
[9d266d2] | 1190 | def addWeightingToData(self, data): |
---|
| 1191 | """ |
---|
| 1192 | Adds weighting contribution to fitting data |
---|
[1bc27f1] | 1193 | """ |
---|
[e1e3e09] | 1194 | # Send original data for weighting |
---|
[dc5ef15] | 1195 | weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting) |
---|
[180bd54] | 1196 | update_module = data.err_data if self.is2D else data.dy |
---|
[6964d44] | 1197 | # Overwrite relevant values in data |
---|
[180bd54] | 1198 | update_module = weight |
---|
[9d266d2] | 1199 | |
---|
[0268aed] | 1200 | def updateQRange(self): |
---|
| 1201 | """ |
---|
| 1202 | Updates Q Range display |
---|
| 1203 | """ |
---|
| 1204 | if self.data_is_loaded: |
---|
| 1205 | self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange() |
---|
| 1206 | # set Q range labels on the main tab |
---|
| 1207 | self.lblMinRangeDef.setText(str(self.q_range_min)) |
---|
| 1208 | self.lblMaxRangeDef.setText(str(self.q_range_max)) |
---|
| 1209 | # set Q range labels on the options tab |
---|
[180bd54] | 1210 | self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts) |
---|
[0268aed] | 1211 | |
---|
[4d457df] | 1212 | def SASModelToQModel(self, model_name, structure_factor=None): |
---|
[60af928] | 1213 | """ |
---|
[cbcdd2c] | 1214 | Setting model parameters into table based on selected category |
---|
[60af928] | 1215 | """ |
---|
| 1216 | # Crete/overwrite model items |
---|
| 1217 | self._model_model.clear() |
---|
[5236449] | 1218 | |
---|
[fd1ae6d1] | 1219 | # First, add parameters from the main model |
---|
| 1220 | if model_name is not None: |
---|
| 1221 | self.fromModelToQModel(model_name) |
---|
[5236449] | 1222 | |
---|
[fd1ae6d1] | 1223 | # Then, add structure factor derived parameters |
---|
[cd31251] | 1224 | if structure_factor is not None and structure_factor != "None": |
---|
[fd1ae6d1] | 1225 | if model_name is None: |
---|
| 1226 | # Instantiate the current sasmodel for SF-only models |
---|
| 1227 | self.kernel_module = self.models[structure_factor]() |
---|
| 1228 | self.fromStructureFactorToQModel(structure_factor) |
---|
[cd31251] | 1229 | else: |
---|
[fd1ae6d1] | 1230 | # Allow the SF combobox visibility for the given sasmodel |
---|
| 1231 | self.enableStructureFactorControl(structure_factor) |
---|
[cd31251] | 1232 | |
---|
[fd1ae6d1] | 1233 | # Then, add multishells |
---|
| 1234 | if model_name is not None: |
---|
| 1235 | # Multishell models need additional treatment |
---|
| 1236 | self.addExtraShells() |
---|
[86f88d1] | 1237 | |
---|
[5236449] | 1238 | # Add polydispersity to the model |
---|
[86f88d1] | 1239 | self.setPolyModel() |
---|
[5236449] | 1240 | # Add magnetic parameters to the model |
---|
[86f88d1] | 1241 | self.setMagneticModel() |
---|
[5236449] | 1242 | |
---|
[a9b568c] | 1243 | # Adjust the table cells width |
---|
| 1244 | self.lstParams.resizeColumnToContents(0) |
---|
[4992ff2] | 1245 | self.lstParams.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding) |
---|
[a9b568c] | 1246 | |
---|
[5236449] | 1247 | # Now we claim the model has been loaded |
---|
[86f88d1] | 1248 | self.model_is_loaded = True |
---|
| 1249 | |
---|
[fd1ae6d1] | 1250 | # (Re)-create headers |
---|
| 1251 | FittingUtilities.addHeadersToModel(self._model_model) |
---|
[6964d44] | 1252 | self.lstParams.header().setFont(self.boldFont) |
---|
[fd1ae6d1] | 1253 | |
---|
[5236449] | 1254 | # Update Q Ranges |
---|
| 1255 | self.updateQRange() |
---|
| 1256 | |
---|
[fd1ae6d1] | 1257 | def fromModelToQModel(self, model_name): |
---|
| 1258 | """ |
---|
| 1259 | Setting model parameters into QStandardItemModel based on selected _model_ |
---|
| 1260 | """ |
---|
| 1261 | kernel_module = generate.load_kernel_module(model_name) |
---|
| 1262 | self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', [])) |
---|
| 1263 | |
---|
| 1264 | # Instantiate the current sasmodel |
---|
| 1265 | self.kernel_module = self.models[model_name]() |
---|
| 1266 | |
---|
| 1267 | # Explicitly add scale and background with default values |
---|
[6964d44] | 1268 | temp_undo_state = self.undo_supported |
---|
| 1269 | self.undo_supported = False |
---|
[fd1ae6d1] | 1270 | self.addScaleToModel(self._model_model) |
---|
| 1271 | self.addBackgroundToModel(self._model_model) |
---|
[6964d44] | 1272 | self.undo_supported = temp_undo_state |
---|
[fd1ae6d1] | 1273 | |
---|
[0d13814] | 1274 | self.shell_names = self.shellNamesList() |
---|
| 1275 | |
---|
[fd1ae6d1] | 1276 | # Update the QModel |
---|
[aca8418] | 1277 | new_rows = FittingUtilities.addParametersToModel(self.model_parameters, self.kernel_module, self.is2D) |
---|
| 1278 | |
---|
[fd1ae6d1] | 1279 | for row in new_rows: |
---|
| 1280 | self._model_model.appendRow(row) |
---|
| 1281 | # Update the counter used for multishell display |
---|
| 1282 | self._last_model_row = self._model_model.rowCount() |
---|
| 1283 | |
---|
| 1284 | def fromStructureFactorToQModel(self, structure_factor): |
---|
| 1285 | """ |
---|
| 1286 | Setting model parameters into QStandardItemModel based on selected _structure factor_ |
---|
| 1287 | """ |
---|
| 1288 | structure_module = generate.load_kernel_module(structure_factor) |
---|
| 1289 | structure_parameters = modelinfo.make_parameter_table(getattr(structure_module, 'parameters', [])) |
---|
[5d1440e1] | 1290 | structure_kernel = self.models[structure_factor]() |
---|
| 1291 | |
---|
| 1292 | self.kernel_module._model_info = product.make_product_info(self.kernel_module._model_info, structure_kernel._model_info) |
---|
[fd1ae6d1] | 1293 | |
---|
| 1294 | new_rows = FittingUtilities.addSimpleParametersToModel(structure_parameters, self.is2D) |
---|
| 1295 | for row in new_rows: |
---|
| 1296 | self._model_model.appendRow(row) |
---|
| 1297 | # Update the counter used for multishell display |
---|
| 1298 | self._last_model_row = self._model_model.rowCount() |
---|
| 1299 | |
---|
[b00414d] | 1300 | def onMainParamsChange(self, item): |
---|
[cd31251] | 1301 | """ |
---|
| 1302 | Callback method for updating the sasmodel parameters with the GUI values |
---|
| 1303 | """ |
---|
[cbcdd2c] | 1304 | model_column = item.column() |
---|
[cd31251] | 1305 | |
---|
| 1306 | if model_column == 0: |
---|
[f182f93] | 1307 | self.checkboxSelected(item) |
---|
[2add354] | 1308 | self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded) |
---|
[6964d44] | 1309 | # Update state stack |
---|
| 1310 | self.updateUndo() |
---|
[cd31251] | 1311 | return |
---|
| 1312 | |
---|
[f182f93] | 1313 | model_row = item.row() |
---|
| 1314 | name_index = self._model_model.index(model_row, 0) |
---|
| 1315 | |
---|
[b00414d] | 1316 | # Extract changed value. |
---|
[2add354] | 1317 | try: |
---|
[fbfc488] | 1318 | value = GuiUtils.toDouble(item.text()) |
---|
[2add354] | 1319 | except ValueError: |
---|
| 1320 | # Unparsable field |
---|
| 1321 | return |
---|
[fbfc488] | 1322 | |
---|
| 1323 | parameter_name = str(self._model_model.data(name_index)) # sld, background etc. |
---|
[cbcdd2c] | 1324 | |
---|
[00b3b40] | 1325 | # Update the parameter value - note: this supports +/-inf as well |
---|
[cbcdd2c] | 1326 | self.kernel_module.params[parameter_name] = value |
---|
| 1327 | |
---|
[8a32a6ff] | 1328 | # Update the parameter value - note: this supports +/-inf as well |
---|
[8f2548c] | 1329 | param_column = self.lstParams.itemDelegate().param_value |
---|
| 1330 | min_column = self.lstParams.itemDelegate().param_min |
---|
| 1331 | max_column = self.lstParams.itemDelegate().param_max |
---|
| 1332 | if model_column == param_column: |
---|
[8a32a6ff] | 1333 | self.kernel_module.setParam(parameter_name, value) |
---|
[8f2548c] | 1334 | elif model_column == min_column: |
---|
[8a32a6ff] | 1335 | # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf] |
---|
[8f2548c] | 1336 | self.kernel_module.details[parameter_name][1] = value |
---|
| 1337 | elif model_column == max_column: |
---|
| 1338 | self.kernel_module.details[parameter_name][2] = value |
---|
| 1339 | else: |
---|
| 1340 | # don't update the chart |
---|
| 1341 | return |
---|
[00b3b40] | 1342 | |
---|
| 1343 | # TODO: magnetic params in self.kernel_module.details['M0:parameter_name'] = value |
---|
| 1344 | # TODO: multishell params in self.kernel_module.details[??] = value |
---|
[cbcdd2c] | 1345 | |
---|
[d7ff531] | 1346 | # Force the chart update when actual parameters changed |
---|
| 1347 | if model_column == 1: |
---|
[d48cc19] | 1348 | self.recalculatePlotData() |
---|
[7d077d1] | 1349 | |
---|
[2241130] | 1350 | # Update state stack |
---|
[00b3b40] | 1351 | self.updateUndo() |
---|
[2241130] | 1352 | |
---|
[f182f93] | 1353 | def checkboxSelected(self, item): |
---|
| 1354 | # Assure we're dealing with checkboxes |
---|
| 1355 | if not item.isCheckable(): |
---|
| 1356 | return |
---|
| 1357 | status = item.checkState() |
---|
| 1358 | |
---|
| 1359 | def isCheckable(row): |
---|
| 1360 | return self._model_model.item(row, 0).isCheckable() |
---|
| 1361 | |
---|
| 1362 | # If multiple rows selected - toggle all of them, filtering uncheckable |
---|
| 1363 | rows = [s.row() for s in self.lstParams.selectionModel().selectedRows() if isCheckable(s.row())] |
---|
| 1364 | |
---|
| 1365 | # Switch off signaling from the model to avoid recursion |
---|
| 1366 | self._model_model.blockSignals(True) |
---|
| 1367 | # Convert to proper indices and set requested enablement |
---|
[aca8418] | 1368 | [self._model_model.item(row, 0).setCheckState(status) for row in rows] |
---|
[f182f93] | 1369 | self._model_model.blockSignals(False) |
---|
| 1370 | |
---|
| 1371 | # update the list of parameters to fit |
---|
[c1e380e] | 1372 | main_params = self.checkedListFromModel(self._model_model) |
---|
| 1373 | poly_params = self.checkedListFromModel(self._poly_model) |
---|
[b00414d] | 1374 | magnet_params = self.checkedListFromModel(self._magnet_model) |
---|
| 1375 | |
---|
[c1e380e] | 1376 | # Retrieve poly params names |
---|
[358b39d] | 1377 | poly_params = [param.rsplit()[-1] + '.width' for param in poly_params] |
---|
[c1e380e] | 1378 | |
---|
[b00414d] | 1379 | self.parameters_to_fit = main_params + poly_params + magnet_params |
---|
[c1e380e] | 1380 | |
---|
| 1381 | def checkedListFromModel(self, model): |
---|
| 1382 | """ |
---|
| 1383 | Returns list of checked parameters for given model |
---|
| 1384 | """ |
---|
| 1385 | def isChecked(row): |
---|
| 1386 | return model.item(row, 0).checkState() == QtCore.Qt.Checked |
---|
| 1387 | |
---|
| 1388 | return [str(model.item(row_index, 0).text()) |
---|
[b3e8629] | 1389 | for row_index in range(model.rowCount()) |
---|
[c1e380e] | 1390 | if isChecked(row_index)] |
---|
[f182f93] | 1391 | |
---|
[6fd4e36] | 1392 | def nameForFittedData(self, name): |
---|
[5236449] | 1393 | """ |
---|
[6fd4e36] | 1394 | Generate name for the current fit |
---|
[5236449] | 1395 | """ |
---|
| 1396 | if self.is2D: |
---|
| 1397 | name += "2d" |
---|
| 1398 | name = "M%i [%s]" % (self.tab_id, name) |
---|
[6fd4e36] | 1399 | return name |
---|
| 1400 | |
---|
| 1401 | def createNewIndex(self, fitted_data): |
---|
| 1402 | """ |
---|
| 1403 | Create a model or theory index with passed Data1D/Data2D |
---|
| 1404 | """ |
---|
| 1405 | if self.data_is_loaded: |
---|
[0268aed] | 1406 | if not fitted_data.name: |
---|
| 1407 | name = self.nameForFittedData(self.data.filename) |
---|
| 1408 | fitted_data.title = name |
---|
| 1409 | fitted_data.name = name |
---|
| 1410 | fitted_data.filename = name |
---|
[7d077d1] | 1411 | fitted_data.symbol = "Line" |
---|
[6fd4e36] | 1412 | self.updateModelIndex(fitted_data) |
---|
| 1413 | else: |
---|
[0268aed] | 1414 | name = self.nameForFittedData(self.kernel_module.name) |
---|
| 1415 | fitted_data.title = name |
---|
| 1416 | fitted_data.name = name |
---|
| 1417 | fitted_data.filename = name |
---|
| 1418 | fitted_data.symbol = "Line" |
---|
[6fd4e36] | 1419 | self.createTheoryIndex(fitted_data) |
---|
| 1420 | |
---|
| 1421 | def updateModelIndex(self, fitted_data): |
---|
| 1422 | """ |
---|
| 1423 | Update a QStandardModelIndex containing model data |
---|
| 1424 | """ |
---|
[00b3b40] | 1425 | name = self.nameFromData(fitted_data) |
---|
[0268aed] | 1426 | # Make this a line if no other defined |
---|
[7d077d1] | 1427 | if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None: |
---|
[0268aed] | 1428 | fitted_data.symbol = 'Line' |
---|
[6fd4e36] | 1429 | # Notify the GUI manager so it can update the main model in DataExplorer |
---|
[b3e8629] | 1430 | GuiUtils.updateModelItemWithPlot(self._index, fitted_data, name) |
---|
[6fd4e36] | 1431 | |
---|
| 1432 | def createTheoryIndex(self, fitted_data): |
---|
| 1433 | """ |
---|
| 1434 | Create a QStandardModelIndex containing model data |
---|
| 1435 | """ |
---|
[00b3b40] | 1436 | name = self.nameFromData(fitted_data) |
---|
| 1437 | # Notify the GUI manager so it can create the theory model in DataExplorer |
---|
[b3e8629] | 1438 | new_item = GuiUtils.createModelItemWithPlot(fitted_data, name=name) |
---|
[00b3b40] | 1439 | self.communicate.updateTheoryFromPerspectiveSignal.emit(new_item) |
---|
| 1440 | |
---|
| 1441 | def nameFromData(self, fitted_data): |
---|
| 1442 | """ |
---|
| 1443 | Return name for the dataset. Terribly impure function. |
---|
| 1444 | """ |
---|
[0268aed] | 1445 | if fitted_data.name is None: |
---|
[00b3b40] | 1446 | name = self.nameForFittedData(self.logic.data.filename) |
---|
[0268aed] | 1447 | fitted_data.title = name |
---|
| 1448 | fitted_data.name = name |
---|
| 1449 | fitted_data.filename = name |
---|
| 1450 | else: |
---|
| 1451 | name = fitted_data.name |
---|
[00b3b40] | 1452 | return name |
---|
[5236449] | 1453 | |
---|
[4d457df] | 1454 | def methodCalculateForData(self): |
---|
| 1455 | '''return the method for data calculation''' |
---|
| 1456 | return Calc1D if isinstance(self.data, Data1D) else Calc2D |
---|
| 1457 | |
---|
| 1458 | def methodCompleteForData(self): |
---|
| 1459 | '''return the method for result parsin on calc complete ''' |
---|
| 1460 | return self.complete1D if isinstance(self.data, Data1D) else self.complete2D |
---|
| 1461 | |
---|
[b1e36a3] | 1462 | def calculateQGridForModel(self): |
---|
[86f88d1] | 1463 | """ |
---|
| 1464 | Prepare the fitting data object, based on current ModelModel |
---|
| 1465 | """ |
---|
[180bd54] | 1466 | if self.kernel_module is None: |
---|
| 1467 | return |
---|
[4d457df] | 1468 | # Awful API to a backend method. |
---|
| 1469 | method = self.methodCalculateForData()(data=self.data, |
---|
[1bc27f1] | 1470 | model=self.kernel_module, |
---|
| 1471 | page_id=0, |
---|
| 1472 | qmin=self.q_range_min, |
---|
| 1473 | qmax=self.q_range_max, |
---|
| 1474 | smearer=None, |
---|
| 1475 | state=None, |
---|
| 1476 | weight=None, |
---|
| 1477 | fid=None, |
---|
| 1478 | toggle_mode_on=False, |
---|
| 1479 | completefn=None, |
---|
| 1480 | update_chisqr=True, |
---|
| 1481 | exception_handler=self.calcException, |
---|
| 1482 | source=None) |
---|
[4d457df] | 1483 | |
---|
| 1484 | calc_thread = threads.deferToThread(method.compute) |
---|
| 1485 | calc_thread.addCallback(self.methodCompleteForData()) |
---|
[c1e380e] | 1486 | calc_thread.addErrback(self.calculateDataFailed) |
---|
[6964d44] | 1487 | |
---|
[aca8418] | 1488 | def calculateDataFailed(self, reason): |
---|
[6964d44] | 1489 | """ |
---|
[c1e380e] | 1490 | Thread returned error |
---|
[6964d44] | 1491 | """ |
---|
[b3e8629] | 1492 | print("Calculate Data failed with ", reason) |
---|
[5236449] | 1493 | |
---|
[cbcdd2c] | 1494 | def complete1D(self, return_data): |
---|
[5236449] | 1495 | """ |
---|
[4d457df] | 1496 | Plot the current 1D data |
---|
| 1497 | """ |
---|
[d48cc19] | 1498 | fitted_data = self.logic.new1DPlot(return_data, self.tab_id) |
---|
| 1499 | self.calculateResiduals(fitted_data) |
---|
| 1500 | self.model_data = fitted_data |
---|
[cbcdd2c] | 1501 | |
---|
| 1502 | def complete2D(self, return_data): |
---|
| 1503 | """ |
---|
[4d457df] | 1504 | Plot the current 2D data |
---|
| 1505 | """ |
---|
[6fd4e36] | 1506 | fitted_data = self.logic.new2DPlot(return_data) |
---|
| 1507 | self.calculateResiduals(fitted_data) |
---|
[d48cc19] | 1508 | self.model_data = fitted_data |
---|
[6fd4e36] | 1509 | |
---|
| 1510 | def calculateResiduals(self, fitted_data): |
---|
| 1511 | """ |
---|
| 1512 | Calculate and print Chi2 and display chart of residuals |
---|
| 1513 | """ |
---|
| 1514 | # Create a new index for holding data |
---|
[7d077d1] | 1515 | fitted_data.symbol = "Line" |
---|
[6964d44] | 1516 | |
---|
| 1517 | # Modify fitted_data with weighting |
---|
| 1518 | self.addWeightingToData(fitted_data) |
---|
| 1519 | |
---|
[6fd4e36] | 1520 | self.createNewIndex(fitted_data) |
---|
| 1521 | # Calculate difference between return_data and logic.data |
---|
[2add354] | 1522 | self.chi2 = FittingUtilities.calculateChi2(fitted_data, self.logic.data) |
---|
[6fd4e36] | 1523 | # Update the control |
---|
[2add354] | 1524 | chi2_repr = "---" if self.chi2 is None else GuiUtils.formatNumber(self.chi2, high=True) |
---|
[f182f93] | 1525 | self.lblChi2Value.setText(chi2_repr) |
---|
[cbcdd2c] | 1526 | |
---|
[d48cc19] | 1527 | self.communicate.plotUpdateSignal.emit([fitted_data]) |
---|
| 1528 | |
---|
[0268aed] | 1529 | # Plot residuals if actual data |
---|
[aca8418] | 1530 | if not self.data_is_loaded: |
---|
| 1531 | return |
---|
| 1532 | |
---|
| 1533 | residuals_plot = FittingUtilities.plotResiduals(self.data, fitted_data) |
---|
| 1534 | residuals_plot.id = "Residual " + residuals_plot.id |
---|
| 1535 | self.createNewIndex(residuals_plot) |
---|
[d6b8a1d] | 1536 | #self.communicate.plotUpdateSignal.emit([residuals_plot]) |
---|
[5236449] | 1537 | |
---|
| 1538 | def calcException(self, etype, value, tb): |
---|
| 1539 | """ |
---|
[c1e380e] | 1540 | Thread threw an exception. |
---|
[5236449] | 1541 | """ |
---|
[c1e380e] | 1542 | # TODO: remimplement thread cancellation |
---|
[5236449] | 1543 | logging.error("".join(traceback.format_exception(etype, value, tb))) |
---|
[60af928] | 1544 | |
---|
| 1545 | def setTableProperties(self, table): |
---|
| 1546 | """ |
---|
| 1547 | Setting table properties |
---|
| 1548 | """ |
---|
| 1549 | # Table properties |
---|
| 1550 | table.verticalHeader().setVisible(False) |
---|
| 1551 | table.setAlternatingRowColors(True) |
---|
[4992ff2] | 1552 | table.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding) |
---|
| 1553 | table.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows) |
---|
[f46f6dc] | 1554 | table.resizeColumnsToContents() |
---|
| 1555 | |
---|
[60af928] | 1556 | # Header |
---|
| 1557 | header = table.horizontalHeader() |
---|
[4992ff2] | 1558 | header.setSectionResizeMode(QtWidgets.QHeaderView.ResizeToContents) |
---|
| 1559 | header.ResizeMode(QtWidgets.QHeaderView.Interactive) |
---|
[f46f6dc] | 1560 | |
---|
[4992ff2] | 1561 | # Qt5: the following 2 lines crash - figure out why! |
---|
[e43fc91] | 1562 | # Resize column 0 and 7 to content |
---|
[4992ff2] | 1563 | #header.setSectionResizeMode(0, QtWidgets.QHeaderView.ResizeToContents) |
---|
| 1564 | #header.setSectionResizeMode(7, QtWidgets.QHeaderView.ResizeToContents) |
---|
[60af928] | 1565 | |
---|
| 1566 | def setPolyModel(self): |
---|
| 1567 | """ |
---|
| 1568 | Set polydispersity values |
---|
| 1569 | """ |
---|
[86f88d1] | 1570 | if not self.model_parameters: |
---|
| 1571 | return |
---|
| 1572 | self._poly_model.clear() |
---|
| 1573 | |
---|
[e43fc91] | 1574 | [self.setPolyModelParameters(i, param) for i, param in \ |
---|
[aca8418] | 1575 | enumerate(self.model_parameters.form_volume_parameters) if param.polydisperse] |
---|
[4d457df] | 1576 | FittingUtilities.addPolyHeadersToModel(self._poly_model) |
---|
[60af928] | 1577 | |
---|
[e43fc91] | 1578 | def setPolyModelParameters(self, i, param): |
---|
[aca8418] | 1579 | """ |
---|
[0d13814] | 1580 | Standard of multishell poly parameter driver |
---|
[aca8418] | 1581 | """ |
---|
[0d13814] | 1582 | param_name = param.name |
---|
| 1583 | # see it the parameter is multishell |
---|
[06b0138] | 1584 | if '[' in param.name: |
---|
[0d13814] | 1585 | # Skip empty shells |
---|
| 1586 | if self.current_shell_displayed == 0: |
---|
| 1587 | return |
---|
| 1588 | else: |
---|
| 1589 | # Create as many entries as current shells |
---|
[b3e8629] | 1590 | for ishell in range(1, self.current_shell_displayed+1): |
---|
[0d13814] | 1591 | # Remove [n] and add the shell numeral |
---|
| 1592 | name = param_name[0:param_name.index('[')] + str(ishell) |
---|
[e43fc91] | 1593 | self.addNameToPolyModel(i, name) |
---|
[0d13814] | 1594 | else: |
---|
| 1595 | # Just create a simple param entry |
---|
[e43fc91] | 1596 | self.addNameToPolyModel(i, param_name) |
---|
[0d13814] | 1597 | |
---|
[e43fc91] | 1598 | def addNameToPolyModel(self, i, param_name): |
---|
[0d13814] | 1599 | """ |
---|
| 1600 | Creates a checked row in the poly model with param_name |
---|
| 1601 | """ |
---|
[144ec831] | 1602 | # Polydisp. values from the sasmodel |
---|
[0d13814] | 1603 | width = self.kernel_module.getParam(param_name + '.width') |
---|
| 1604 | npts = self.kernel_module.getParam(param_name + '.npts') |
---|
| 1605 | nsigs = self.kernel_module.getParam(param_name + '.nsigmas') |
---|
| 1606 | _, min, max = self.kernel_module.details[param_name] |
---|
[144ec831] | 1607 | |
---|
| 1608 | # Construct a row with polydisp. related variable. |
---|
| 1609 | # This will get added to the polydisp. model |
---|
| 1610 | # Note: last argument needs extra space padding for decent display of the control |
---|
[0d13814] | 1611 | checked_list = ["Distribution of " + param_name, str(width), |
---|
| 1612 | str(min), str(max), |
---|
[e43fc91] | 1613 | str(npts), str(nsigs), "gaussian ",''] |
---|
[aca8418] | 1614 | FittingUtilities.addCheckedListToModel(self._poly_model, checked_list) |
---|
| 1615 | |
---|
| 1616 | # All possible polydisp. functions as strings in combobox |
---|
[4992ff2] | 1617 | func = QtWidgets.QComboBox() |
---|
[b3e8629] | 1618 | func.addItems([str(name_disp) for name_disp in POLYDISPERSITY_MODELS.keys()]) |
---|
[e43fc91] | 1619 | # Set the default index |
---|
[aca8418] | 1620 | func.setCurrentIndex(func.findText(DEFAULT_POLYDISP_FUNCTION)) |
---|
[e43fc91] | 1621 | ind = self._poly_model.index(i,self.lstPoly.itemDelegate().poly_function) |
---|
| 1622 | self.lstPoly.setIndexWidget(ind, func) |
---|
| 1623 | func.currentIndexChanged.connect(lambda: self.onPolyComboIndexChange(str(func.currentText()), i)) |
---|
| 1624 | |
---|
| 1625 | def onPolyFilenameChange(self, row_index): |
---|
| 1626 | """ |
---|
| 1627 | Respond to filename_updated signal from the delegate |
---|
| 1628 | """ |
---|
| 1629 | # For the given row, invoke the "array" combo handler |
---|
| 1630 | array_caption = 'array' |
---|
[8222f171] | 1631 | |
---|
[e43fc91] | 1632 | # Get the combo box reference |
---|
| 1633 | ind = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function) |
---|
| 1634 | widget = self.lstPoly.indexWidget(ind) |
---|
[8222f171] | 1635 | |
---|
[e43fc91] | 1636 | # Update the combo box so it displays "array" |
---|
| 1637 | widget.blockSignals(True) |
---|
| 1638 | widget.setCurrentIndex(self.lstPoly.itemDelegate().POLYDISPERSE_FUNCTIONS.index(array_caption)) |
---|
| 1639 | widget.blockSignals(False) |
---|
[aca8418] | 1640 | |
---|
[8222f171] | 1641 | # Invoke the file reader |
---|
| 1642 | self.onPolyComboIndexChange(array_caption, row_index) |
---|
| 1643 | |
---|
[aca8418] | 1644 | def onPolyComboIndexChange(self, combo_string, row_index): |
---|
| 1645 | """ |
---|
| 1646 | Modify polydisp. defaults on function choice |
---|
| 1647 | """ |
---|
[144ec831] | 1648 | # Get npts/nsigs for current selection |
---|
[aca8418] | 1649 | param = self.model_parameters.form_volume_parameters[row_index] |
---|
[e43fc91] | 1650 | file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function) |
---|
| 1651 | combo_box = self.lstPoly.indexWidget(file_index) |
---|
[aca8418] | 1652 | |
---|
[919d47c] | 1653 | def updateFunctionCaption(row): |
---|
| 1654 | # Utility function for update of polydispersity function name in the main model |
---|
[1643d8ed] | 1655 | param_name = str(self._model_model.item(row, 0).text()) |
---|
[919d47c] | 1656 | if param_name != param.name: |
---|
| 1657 | return |
---|
[144ec831] | 1658 | # Modify the param value |
---|
[919d47c] | 1659 | self._model_model.item(row, 0).child(0).child(0,4).setText(combo_string) |
---|
| 1660 | |
---|
[aca8418] | 1661 | if combo_string == 'array': |
---|
| 1662 | try: |
---|
[e43fc91] | 1663 | self.loadPolydispArray(row_index) |
---|
[919d47c] | 1664 | # Update main model for display |
---|
| 1665 | self.iterateOverModel(updateFunctionCaption) |
---|
[e43fc91] | 1666 | # disable the row |
---|
| 1667 | lo = self.lstPoly.itemDelegate().poly_pd |
---|
| 1668 | hi = self.lstPoly.itemDelegate().poly_function |
---|
[b3e8629] | 1669 | [self._poly_model.item(row_index, i).setEnabled(False) for i in range(lo, hi)] |
---|
[aca8418] | 1670 | return |
---|
[e43fc91] | 1671 | except IOError: |
---|
[8222f171] | 1672 | combo_box.setCurrentIndex(self.orig_poly_index) |
---|
[e43fc91] | 1673 | # Pass for cancel/bad read |
---|
| 1674 | pass |
---|
[aca8418] | 1675 | |
---|
| 1676 | # Enable the row in case it was disabled by Array |
---|
[919d47c] | 1677 | self._poly_model.blockSignals(True) |
---|
[e43fc91] | 1678 | max_range = self.lstPoly.itemDelegate().poly_filename |
---|
[b3e8629] | 1679 | [self._poly_model.item(row_index, i).setEnabled(True) for i in range(7)] |
---|
[e43fc91] | 1680 | file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename) |
---|
[b3e8629] | 1681 | self._poly_model.setData(file_index, "") |
---|
[919d47c] | 1682 | self._poly_model.blockSignals(False) |
---|
[aca8418] | 1683 | |
---|
[8eaa101] | 1684 | npts_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_npts) |
---|
| 1685 | nsigs_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_nsigs) |
---|
[aca8418] | 1686 | |
---|
| 1687 | npts = POLYDISPERSITY_MODELS[str(combo_string)].default['npts'] |
---|
| 1688 | nsigs = POLYDISPERSITY_MODELS[str(combo_string)].default['nsigmas'] |
---|
| 1689 | |
---|
[b3e8629] | 1690 | self._poly_model.setData(npts_index, npts) |
---|
| 1691 | self._poly_model.setData(nsigs_index, nsigs) |
---|
[aca8418] | 1692 | |
---|
[919d47c] | 1693 | self.iterateOverModel(updateFunctionCaption) |
---|
[8222f171] | 1694 | self.orig_poly_index = combo_box.currentIndex() |
---|
[919d47c] | 1695 | |
---|
[e43fc91] | 1696 | def loadPolydispArray(self, row_index): |
---|
[aca8418] | 1697 | """ |
---|
| 1698 | Show the load file dialog and loads requested data into state |
---|
| 1699 | """ |
---|
[4992ff2] | 1700 | datafile = QtWidgets.QFileDialog.getOpenFileName( |
---|
| 1701 | self, "Choose a weight file", "", "All files (*.*)", None, |
---|
[fbfc488] | 1702 | QtWidgets.QFileDialog.DontUseNativeDialog)[0] |
---|
[72f4834] | 1703 | |
---|
[fbfc488] | 1704 | if not datafile: |
---|
[aca8418] | 1705 | logging.info("No weight data chosen.") |
---|
[1643d8ed] | 1706 | raise IOError |
---|
[72f4834] | 1707 | |
---|
[aca8418] | 1708 | values = [] |
---|
| 1709 | weights = [] |
---|
[919d47c] | 1710 | def appendData(data_tuple): |
---|
| 1711 | """ |
---|
| 1712 | Fish out floats from a tuple of strings |
---|
| 1713 | """ |
---|
| 1714 | try: |
---|
| 1715 | values.append(float(data_tuple[0])) |
---|
| 1716 | weights.append(float(data_tuple[1])) |
---|
| 1717 | except (ValueError, IndexError): |
---|
| 1718 | # just pass through if line with bad data |
---|
| 1719 | return |
---|
| 1720 | |
---|
[aca8418] | 1721 | with open(datafile, 'r') as column_file: |
---|
| 1722 | column_data = [line.rstrip().split() for line in column_file.readlines()] |
---|
[919d47c] | 1723 | [appendData(line) for line in column_data] |
---|
[aca8418] | 1724 | |
---|
[1643d8ed] | 1725 | # If everything went well - update the sasmodel values |
---|
[aca8418] | 1726 | self.disp_model = POLYDISPERSITY_MODELS['array']() |
---|
| 1727 | self.disp_model.set_weights(np.array(values), np.array(weights)) |
---|
[e43fc91] | 1728 | # + update the cell with filename |
---|
| 1729 | fname = os.path.basename(str(datafile)) |
---|
| 1730 | fname_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename) |
---|
[b3e8629] | 1731 | self._poly_model.setData(fname_index, fname) |
---|
[aca8418] | 1732 | |
---|
[60af928] | 1733 | def setMagneticModel(self): |
---|
| 1734 | """ |
---|
| 1735 | Set magnetism values on model |
---|
| 1736 | """ |
---|
[86f88d1] | 1737 | if not self.model_parameters: |
---|
| 1738 | return |
---|
| 1739 | self._magnet_model.clear() |
---|
[aca8418] | 1740 | [self.addCheckedMagneticListToModel(param, self._magnet_model) for param in \ |
---|
[06b0138] | 1741 | self.model_parameters.call_parameters if param.type == 'magnetic'] |
---|
[4d457df] | 1742 | FittingUtilities.addHeadersToModel(self._magnet_model) |
---|
[60af928] | 1743 | |
---|
[0d13814] | 1744 | def shellNamesList(self): |
---|
| 1745 | """ |
---|
| 1746 | Returns list of names of all multi-shell parameters |
---|
| 1747 | E.g. for sld[n], radius[n], n=1..3 it will return |
---|
| 1748 | [sld1, sld2, sld3, radius1, radius2, radius3] |
---|
| 1749 | """ |
---|
| 1750 | multi_names = [p.name[:p.name.index('[')] for p in self.model_parameters.iq_parameters if '[' in p.name] |
---|
| 1751 | top_index = self.kernel_module.multiplicity_info.number |
---|
| 1752 | shell_names = [] |
---|
[b3e8629] | 1753 | for i in range(1, top_index+1): |
---|
[0d13814] | 1754 | for name in multi_names: |
---|
| 1755 | shell_names.append(name+str(i)) |
---|
| 1756 | return shell_names |
---|
| 1757 | |
---|
[aca8418] | 1758 | def addCheckedMagneticListToModel(self, param, model): |
---|
| 1759 | """ |
---|
| 1760 | Wrapper for model update with a subset of magnetic parameters |
---|
| 1761 | """ |
---|
[0d13814] | 1762 | if param.name[param.name.index(':')+1:] in self.shell_names: |
---|
| 1763 | # check if two-digit shell number |
---|
| 1764 | try: |
---|
| 1765 | shell_index = int(param.name[-2:]) |
---|
| 1766 | except ValueError: |
---|
| 1767 | shell_index = int(param.name[-1:]) |
---|
| 1768 | |
---|
| 1769 | if shell_index > self.current_shell_displayed: |
---|
| 1770 | return |
---|
| 1771 | |
---|
[aca8418] | 1772 | checked_list = [param.name, |
---|
| 1773 | str(param.default), |
---|
| 1774 | str(param.limits[0]), |
---|
| 1775 | str(param.limits[1]), |
---|
| 1776 | param.units] |
---|
| 1777 | |
---|
| 1778 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
| 1779 | |
---|
[fd1ae6d1] | 1780 | def enableStructureFactorControl(self, structure_factor): |
---|
[cd31251] | 1781 | """ |
---|
| 1782 | Add structure factors to the list of parameters |
---|
| 1783 | """ |
---|
[fd1ae6d1] | 1784 | if self.kernel_module.is_form_factor or structure_factor == 'None': |
---|
[cd31251] | 1785 | self.enableStructureCombo() |
---|
| 1786 | else: |
---|
| 1787 | self.disableStructureCombo() |
---|
| 1788 | |
---|
[60af928] | 1789 | def addExtraShells(self): |
---|
| 1790 | """ |
---|
[f46f6dc] | 1791 | Add a combobox for multiple shell display |
---|
[60af928] | 1792 | """ |
---|
[4d457df] | 1793 | param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters) |
---|
[f46f6dc] | 1794 | |
---|
| 1795 | if param_length == 0: |
---|
| 1796 | return |
---|
| 1797 | |
---|
[6f7f652] | 1798 | # cell 1: variable name |
---|
[f46f6dc] | 1799 | item1 = QtGui.QStandardItem(param_name) |
---|
| 1800 | |
---|
[4992ff2] | 1801 | func = QtWidgets.QComboBox() |
---|
[b1e36a3] | 1802 | # Available range of shells displayed in the combobox |
---|
[b3e8629] | 1803 | func.addItems([str(i) for i in range(param_length+1)]) |
---|
[a9b568c] | 1804 | |
---|
[b1e36a3] | 1805 | # Respond to index change |
---|
[86f88d1] | 1806 | func.currentIndexChanged.connect(self.modifyShellsInList) |
---|
[60af928] | 1807 | |
---|
[6f7f652] | 1808 | # cell 2: combobox |
---|
[f46f6dc] | 1809 | item2 = QtGui.QStandardItem() |
---|
| 1810 | self._model_model.appendRow([item1, item2]) |
---|
[60af928] | 1811 | |
---|
[6f7f652] | 1812 | # Beautify the row: span columns 2-4 |
---|
[60af928] | 1813 | shell_row = self._model_model.rowCount() |
---|
[f46f6dc] | 1814 | shell_index = self._model_model.index(shell_row-1, 1) |
---|
[86f88d1] | 1815 | |
---|
[4d457df] | 1816 | self.lstParams.setIndexWidget(shell_index, func) |
---|
[86f88d1] | 1817 | self._last_model_row = self._model_model.rowCount() |
---|
| 1818 | |
---|
[a9b568c] | 1819 | # Set the index to the state-kept value |
---|
| 1820 | func.setCurrentIndex(self.current_shell_displayed |
---|
| 1821 | if self.current_shell_displayed < func.count() else 0) |
---|
| 1822 | |
---|
[86f88d1] | 1823 | def modifyShellsInList(self, index): |
---|
| 1824 | """ |
---|
| 1825 | Add/remove additional multishell parameters |
---|
| 1826 | """ |
---|
| 1827 | # Find row location of the combobox |
---|
| 1828 | last_row = self._last_model_row |
---|
| 1829 | remove_rows = self._model_model.rowCount() - last_row |
---|
| 1830 | |
---|
| 1831 | if remove_rows > 1: |
---|
| 1832 | self._model_model.removeRows(last_row, remove_rows) |
---|
| 1833 | |
---|
[4d457df] | 1834 | FittingUtilities.addShellsToModel(self.model_parameters, self._model_model, index) |
---|
[a9b568c] | 1835 | self.current_shell_displayed = index |
---|
[60af928] | 1836 | |
---|
[0d13814] | 1837 | # Update relevant models |
---|
| 1838 | self.setPolyModel() |
---|
| 1839 | self.setMagneticModel() |
---|
| 1840 | |
---|
[672b8ab] | 1841 | def readFitPage(self, fp): |
---|
| 1842 | """ |
---|
| 1843 | Read in state from a fitpage object and update GUI |
---|
| 1844 | """ |
---|
| 1845 | assert isinstance(fp, FitPage) |
---|
| 1846 | # Main tab info |
---|
| 1847 | self.logic.data.filename = fp.filename |
---|
| 1848 | self.data_is_loaded = fp.data_is_loaded |
---|
| 1849 | self.chkPolydispersity.setCheckState(fp.is_polydisperse) |
---|
| 1850 | self.chkMagnetism.setCheckState(fp.is_magnetic) |
---|
| 1851 | self.chk2DView.setCheckState(fp.is2D) |
---|
| 1852 | |
---|
| 1853 | # Update the comboboxes |
---|
| 1854 | self.cbCategory.setCurrentIndex(self.cbCategory.findText(fp.current_category)) |
---|
| 1855 | self.cbModel.setCurrentIndex(self.cbModel.findText(fp.current_model)) |
---|
| 1856 | if fp.current_factor: |
---|
| 1857 | self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(fp.current_factor)) |
---|
| 1858 | |
---|
| 1859 | self.chi2 = fp.chi2 |
---|
| 1860 | |
---|
| 1861 | # Options tab |
---|
| 1862 | self.q_range_min = fp.fit_options[fp.MIN_RANGE] |
---|
| 1863 | self.q_range_max = fp.fit_options[fp.MAX_RANGE] |
---|
| 1864 | self.npts = fp.fit_options[fp.NPTS] |
---|
| 1865 | self.log_points = fp.fit_options[fp.LOG_POINTS] |
---|
| 1866 | self.weighting = fp.fit_options[fp.WEIGHTING] |
---|
| 1867 | |
---|
| 1868 | # Models |
---|
[d60da0c] | 1869 | self._model_model = fp.model_model |
---|
| 1870 | self._poly_model = fp.poly_model |
---|
| 1871 | self._magnet_model = fp.magnetism_model |
---|
[672b8ab] | 1872 | |
---|
| 1873 | # Resolution tab |
---|
| 1874 | smearing = fp.smearing_options[fp.SMEARING_OPTION] |
---|
| 1875 | accuracy = fp.smearing_options[fp.SMEARING_ACCURACY] |
---|
| 1876 | smearing_min = fp.smearing_options[fp.SMEARING_MIN] |
---|
| 1877 | smearing_max = fp.smearing_options[fp.SMEARING_MAX] |
---|
| 1878 | self.smearing_widget.setState(smearing, accuracy, smearing_min, smearing_max) |
---|
| 1879 | |
---|
| 1880 | # TODO: add polidyspersity and magnetism |
---|
| 1881 | |
---|
| 1882 | def saveToFitPage(self, fp): |
---|
| 1883 | """ |
---|
| 1884 | Write current state to the given fitpage |
---|
| 1885 | """ |
---|
| 1886 | assert isinstance(fp, FitPage) |
---|
| 1887 | |
---|
| 1888 | # Main tab info |
---|
| 1889 | fp.filename = self.logic.data.filename |
---|
| 1890 | fp.data_is_loaded = self.data_is_loaded |
---|
| 1891 | fp.is_polydisperse = self.chkPolydispersity.isChecked() |
---|
| 1892 | fp.is_magnetic = self.chkMagnetism.isChecked() |
---|
| 1893 | fp.is2D = self.chk2DView.isChecked() |
---|
| 1894 | fp.data = self.data |
---|
| 1895 | |
---|
| 1896 | # Use current models - they contain all the required parameters |
---|
| 1897 | fp.model_model = self._model_model |
---|
| 1898 | fp.poly_model = self._poly_model |
---|
| 1899 | fp.magnetism_model = self._magnet_model |
---|
| 1900 | |
---|
| 1901 | if self.cbCategory.currentIndex() != 0: |
---|
| 1902 | fp.current_category = str(self.cbCategory.currentText()) |
---|
| 1903 | fp.current_model = str(self.cbModel.currentText()) |
---|
| 1904 | |
---|
| 1905 | if self.cbStructureFactor.isEnabled() and self.cbStructureFactor.currentIndex() != 0: |
---|
| 1906 | fp.current_factor = str(self.cbStructureFactor.currentText()) |
---|
| 1907 | else: |
---|
| 1908 | fp.current_factor = '' |
---|
| 1909 | |
---|
| 1910 | fp.chi2 = self.chi2 |
---|
| 1911 | fp.parameters_to_fit = self.parameters_to_fit |
---|
[6964d44] | 1912 | fp.kernel_module = self.kernel_module |
---|
[672b8ab] | 1913 | |
---|
[6ff2eb3] | 1914 | # Algorithm options |
---|
| 1915 | # fp.algorithm = self.parent.fit_options.selected_id |
---|
| 1916 | |
---|
[672b8ab] | 1917 | # Options tab |
---|
| 1918 | fp.fit_options[fp.MIN_RANGE] = self.q_range_min |
---|
| 1919 | fp.fit_options[fp.MAX_RANGE] = self.q_range_max |
---|
| 1920 | fp.fit_options[fp.NPTS] = self.npts |
---|
| 1921 | #fp.fit_options[fp.NPTS_FIT] = self.npts_fit |
---|
| 1922 | fp.fit_options[fp.LOG_POINTS] = self.log_points |
---|
| 1923 | fp.fit_options[fp.WEIGHTING] = self.weighting |
---|
| 1924 | |
---|
| 1925 | # Resolution tab |
---|
| 1926 | smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() |
---|
| 1927 | fp.smearing_options[fp.SMEARING_OPTION] = smearing |
---|
| 1928 | fp.smearing_options[fp.SMEARING_ACCURACY] = accuracy |
---|
| 1929 | fp.smearing_options[fp.SMEARING_MIN] = smearing_min |
---|
| 1930 | fp.smearing_options[fp.SMEARING_MAX] = smearing_max |
---|
| 1931 | |
---|
| 1932 | # TODO: add polidyspersity and magnetism |
---|
| 1933 | |
---|
[00b3b40] | 1934 | |
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| 1935 | def updateUndo(self): |
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| 1936 | """ |
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| 1937 | Create a new state page and add it to the stack |
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| 1938 | """ |
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| 1939 | if self.undo_supported: |
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| 1940 | self.pushFitPage(self.currentState()) |
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| 1941 | |
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[672b8ab] | 1942 | def currentState(self): |
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| 1943 | """ |
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| 1944 | Return fit page with current state |
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| 1945 | """ |
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| 1946 | new_page = FitPage() |
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| 1947 | self.saveToFitPage(new_page) |
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| 1948 | |
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| 1949 | return new_page |
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| 1950 | |
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| 1951 | def pushFitPage(self, new_page): |
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| 1952 | """ |
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| 1953 | Add a new fit page object with current state |
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| 1954 | """ |
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[6011788] | 1955 | self.page_stack.append(new_page) |
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[672b8ab] | 1956 | |
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| 1957 | def popFitPage(self): |
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| 1958 | """ |
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| 1959 | Remove top fit page from stack |
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| 1960 | """ |
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[6011788] | 1961 | if self.page_stack: |
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| 1962 | self.page_stack.pop() |
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[672b8ab] | 1963 | |
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