| 1 | import sys |
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| 2 | import json |
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| 3 | import os |
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| 4 | import numpy as np |
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| 5 | from collections import defaultdict |
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| 6 | from itertools import izip |
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| 7 | |
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| 8 | import logging |
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| 9 | import traceback |
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| 10 | from twisted.internet import threads |
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| 11 | |
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| 12 | from PyQt4 import QtGui |
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| 13 | from PyQt4 import QtCore |
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| 14 | |
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| 15 | from sasmodels import generate |
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| 16 | from sasmodels import modelinfo |
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| 17 | from sasmodels.sasview_model import load_standard_models |
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| 18 | from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit |
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| 19 | from sas.sasgui.perspectives.fitting.fit_thread import FitThread |
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| 20 | |
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| 21 | from sas.sasgui.guiframe.CategoryInstaller import CategoryInstaller |
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| 22 | from sas.sasgui.guiframe.dataFitting import Data1D |
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| 23 | from sas.sasgui.guiframe.dataFitting import Data2D |
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| 24 | import sas.qtgui.Utilities.GuiUtils as GuiUtils |
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| 25 | from sas.sasgui.perspectives.fitting.model_thread import Calc1D |
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| 26 | from sas.sasgui.perspectives.fitting.model_thread import Calc2D |
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| 27 | from sas.sasgui.perspectives.fitting.utils import get_weight |
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| 28 | |
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| 29 | from UI.FittingWidgetUI import Ui_FittingWidgetUI |
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| 30 | from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic |
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| 31 | from sas.qtgui.Perspectives.Fitting import FittingUtilities |
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| 32 | from SmearingWidget import SmearingWidget |
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| 33 | from OptionsWidget import OptionsWidget |
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| 34 | |
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| 35 | TAB_MAGNETISM = 4 |
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| 36 | TAB_POLY = 3 |
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| 37 | CATEGORY_DEFAULT = "Choose category..." |
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| 38 | CATEGORY_STRUCTURE = "Structure Factor" |
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| 39 | STRUCTURE_DEFAULT = "None" |
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| 40 | |
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| 41 | class FittingWidget(QtGui.QWidget, Ui_FittingWidgetUI): |
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| 42 | """ |
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| 43 | Main widget for selecting form and structure factor models |
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| 44 | """ |
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| 45 | def __init__(self, parent=None, data=None, id=1): |
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| 46 | |
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| 47 | super(FittingWidget, self).__init__() |
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| 48 | |
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| 49 | # Necessary globals |
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| 50 | self.parent = parent |
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| 51 | # SasModel is loaded |
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| 52 | self.model_is_loaded = False |
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| 53 | # Data[12]D passed and set |
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| 54 | self.data_is_loaded = False |
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| 55 | # Current SasModel in view |
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| 56 | self.kernel_module = None |
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| 57 | # Current SasModel view dimension |
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| 58 | self.is2D = False |
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| 59 | # Current SasModel is multishell |
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| 60 | self.model_has_shells = False |
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| 61 | # Utility variable to enable unselectable option in category combobox |
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| 62 | self._previous_category_index = 0 |
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| 63 | # Utility variable for multishell display |
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| 64 | self._last_model_row = 0 |
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| 65 | # Dictionary of {model name: model class} for the current category |
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| 66 | self.models = {} |
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| 67 | # Parameters to fit |
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| 68 | self.parameters_to_fit = None |
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| 69 | # Fit options |
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| 70 | self.q_range_min = 0.005 |
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| 71 | self.q_range_max = 0.1 |
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| 72 | self.npts = 25 |
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| 73 | self.log_points = False |
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| 74 | self.weighting = 0 |
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| 75 | |
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| 76 | # Data for chosen model |
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| 77 | self.model_data = None |
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| 78 | |
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| 79 | # Which tab is this widget displayed in? |
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| 80 | self.tab_id = id |
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| 81 | |
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| 82 | # Which shell is being currently displayed? |
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| 83 | self.current_shell_displayed = 0 |
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| 84 | self.has_error_column = False |
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| 85 | |
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| 86 | # Main Data[12]D holder |
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| 87 | self.logic = FittingLogic(data=data) |
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| 88 | |
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| 89 | # Main GUI setup up |
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| 90 | self.setupUi(self) |
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| 91 | self.setWindowTitle("Fitting") |
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| 92 | self.communicate = self.parent.communicate |
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| 93 | |
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| 94 | # Options widget |
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| 95 | layout = QtGui.QGridLayout() |
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| 96 | self.options_widget = OptionsWidget(self, self.logic) |
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| 97 | layout.addWidget(self.options_widget) |
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| 98 | self.tabOptions.setLayout(layout) |
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| 99 | |
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| 100 | # Smearing widget |
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| 101 | layout = QtGui.QGridLayout() |
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| 102 | self.smearing_widget = SmearingWidget(self) |
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| 103 | layout.addWidget(self.smearing_widget) |
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| 104 | self.tabResolution.setLayout(layout) |
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| 105 | |
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| 106 | # Define bold font for use in various controls |
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| 107 | self.boldFont=QtGui.QFont() |
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| 108 | self.boldFont.setBold(True) |
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| 109 | |
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| 110 | # Set data label |
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| 111 | self.label.setFont(self.boldFont) |
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| 112 | self.label.setText("No data loaded") |
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| 113 | self.lblFilename.setText("") |
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| 114 | |
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| 115 | # Set the main models |
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| 116 | # We can't use a single model here, due to restrictions on flattening |
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| 117 | # the model tree with subclassed QAbstractProxyModel... |
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| 118 | self._model_model = QtGui.QStandardItemModel() |
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| 119 | self._poly_model = QtGui.QStandardItemModel() |
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| 120 | self._magnet_model = QtGui.QStandardItemModel() |
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| 121 | |
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| 122 | # Param model displayed in param list |
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| 123 | self.lstParams.setModel(self._model_model) |
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| 124 | self.readCategoryInfo() |
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| 125 | self.model_parameters = None |
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| 126 | self.lstParams.setAlternatingRowColors(True) |
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| 127 | stylesheet = """ |
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| 128 | QTreeView{ |
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| 129 | alternate-background-color: #f6fafb; |
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| 130 | background: #e8f4fc; |
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| 131 | } |
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| 132 | """ |
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| 133 | self.lstParams.setStyleSheet(stylesheet) |
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| 134 | |
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| 135 | # Poly model displayed in poly list |
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| 136 | self.lstPoly.setModel(self._poly_model) |
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| 137 | self.setPolyModel() |
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| 138 | self.setTableProperties(self.lstPoly) |
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| 139 | |
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| 140 | # Magnetism model displayed in magnetism list |
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| 141 | self.lstMagnetic.setModel(self._magnet_model) |
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| 142 | self.setMagneticModel() |
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| 143 | self.setTableProperties(self.lstMagnetic) |
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| 144 | |
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| 145 | # Defaults for the structure factors |
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| 146 | self.setDefaultStructureCombo() |
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| 147 | |
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| 148 | # Make structure factor and model CBs disabled |
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| 149 | self.disableModelCombo() |
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| 150 | self.disableStructureCombo() |
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| 151 | |
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| 152 | # Generate the category list for display |
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| 153 | category_list = sorted(self.master_category_dict.keys()) |
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| 154 | self.cbCategory.addItem(CATEGORY_DEFAULT) |
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| 155 | self.cbCategory.addItems(category_list) |
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| 156 | self.cbCategory.addItem(CATEGORY_STRUCTURE) |
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| 157 | self.cbCategory.setCurrentIndex(0) |
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| 158 | |
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| 159 | # Connect signals to controls |
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| 160 | self.initializeSignals() |
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| 161 | |
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| 162 | # Initial control state |
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| 163 | self.initializeControls() |
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| 164 | |
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| 165 | self._index = None |
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| 166 | if data is not None: |
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| 167 | self.data = data |
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| 168 | |
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| 169 | @property |
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| 170 | def data(self): |
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| 171 | return self.logic.data |
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| 172 | |
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| 173 | @data.setter |
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| 174 | def data(self, value): |
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| 175 | """ data setter """ |
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| 176 | assert isinstance(value, QtGui.QStandardItem) |
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| 177 | # _index contains the QIndex with data |
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| 178 | self._index = value |
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| 179 | |
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| 180 | # Update logics with data items |
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| 181 | self.logic.data = GuiUtils.dataFromItem(value) |
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| 182 | |
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| 183 | # Overwrite data type descriptor |
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| 184 | self.is2D = True if isinstance(self.logic.data, Data2D) else False |
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| 185 | |
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| 186 | self.data_is_loaded = True |
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| 187 | |
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| 188 | # Enable/disable UI components |
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| 189 | self.setEnablementOnDataLoad() |
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| 190 | |
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| 191 | def setEnablementOnDataLoad(self): |
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| 192 | """ |
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| 193 | Enable/disable various UI elements based on data loaded |
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| 194 | """ |
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| 195 | # Tag along functionality |
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| 196 | self.label.setText("Data loaded from: ") |
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| 197 | self.lblFilename.setText(self.logic.data.filename) |
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| 198 | self.updateQRange() |
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| 199 | self.cmdFit.setEnabled(True) |
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| 200 | # Switch off Data2D control |
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| 201 | self.chk2DView.setEnabled(False) |
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| 202 | self.chk2DView.setVisible(False) |
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| 203 | self.chkMagnetism.setEnabled(True) |
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| 204 | # Similarly on other tabs |
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| 205 | self.options_widget.setEnablementOnDataLoad() |
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| 206 | |
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| 207 | # Smearing tab |
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| 208 | self.smearing_widget.updateSmearing(self.data) |
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| 209 | |
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| 210 | def acceptsData(self): |
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| 211 | """ Tells the caller this widget can accept new dataset """ |
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| 212 | return not self.data_is_loaded |
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| 213 | |
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| 214 | def disableModelCombo(self): |
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| 215 | """ Disable the combobox """ |
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| 216 | self.cbModel.setEnabled(False) |
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| 217 | self.lblModel.setEnabled(False) |
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| 218 | |
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| 219 | def enableModelCombo(self): |
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| 220 | """ Enable the combobox """ |
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| 221 | self.cbModel.setEnabled(True) |
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| 222 | self.lblModel.setEnabled(True) |
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| 223 | |
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| 224 | def disableStructureCombo(self): |
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| 225 | """ Disable the combobox """ |
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| 226 | self.cbStructureFactor.setEnabled(False) |
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| 227 | self.lblStructure.setEnabled(False) |
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| 228 | |
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| 229 | def enableStructureCombo(self): |
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| 230 | """ Enable the combobox """ |
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| 231 | self.cbStructureFactor.setEnabled(True) |
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| 232 | self.lblStructure.setEnabled(True) |
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| 233 | |
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| 234 | def togglePoly(self, isChecked): |
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| 235 | """ Enable/disable the polydispersity tab """ |
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| 236 | self.tabFitting.setTabEnabled(TAB_POLY, isChecked) |
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| 237 | |
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| 238 | def toggleMagnetism(self, isChecked): |
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| 239 | """ Enable/disable the magnetism tab """ |
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| 240 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked) |
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| 241 | |
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| 242 | def toggle2D(self, isChecked): |
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| 243 | """ Enable/disable the controls dependent on 1D/2D data instance """ |
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| 244 | self.chkMagnetism.setEnabled(isChecked) |
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| 245 | self.is2D = isChecked |
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| 246 | # Reload the current model |
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| 247 | if self.kernel_module: |
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| 248 | self.onSelectModel() |
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| 249 | |
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| 250 | def initializeControls(self): |
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| 251 | """ |
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| 252 | Set initial control enablement |
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| 253 | """ |
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| 254 | self.cmdFit.setEnabled(False) |
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| 255 | self.cmdPlot.setEnabled(False) |
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| 256 | self.options_widget.cmdComputePoints.setVisible(False) # probably redundant |
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| 257 | self.chkPolydispersity.setEnabled(True) |
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| 258 | self.chkPolydispersity.setCheckState(False) |
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| 259 | self.chk2DView.setEnabled(True) |
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| 260 | self.chk2DView.setCheckState(False) |
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| 261 | self.chkMagnetism.setEnabled(False) |
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| 262 | self.chkMagnetism.setCheckState(False) |
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| 263 | # Tabs |
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| 264 | self.tabFitting.setTabEnabled(TAB_POLY, False) |
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| 265 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, False) |
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| 266 | self.lblChi2Value.setText("---") |
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| 267 | # Smearing tab |
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| 268 | self.smearing_widget.updateSmearing(self.data) |
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| 269 | # Line edits in the option tab |
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| 270 | self.updateQRange() |
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| 271 | |
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| 272 | def initializeSignals(self): |
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| 273 | """ |
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| 274 | Connect GUI element signals |
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| 275 | """ |
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| 276 | # Comboboxes |
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| 277 | self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor) |
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| 278 | self.cbCategory.currentIndexChanged.connect(self.onSelectCategory) |
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| 279 | self.cbModel.currentIndexChanged.connect(self.onSelectModel) |
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| 280 | # Checkboxes |
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| 281 | self.chk2DView.toggled.connect(self.toggle2D) |
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| 282 | self.chkPolydispersity.toggled.connect(self.togglePoly) |
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| 283 | self.chkMagnetism.toggled.connect(self.toggleMagnetism) |
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| 284 | # Buttons |
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| 285 | self.cmdFit.clicked.connect(self.onFit) |
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| 286 | self.cmdPlot.clicked.connect(self.onPlot) |
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| 287 | |
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| 288 | # Respond to change in parameters from the UI |
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| 289 | self._model_model.itemChanged.connect(self.updateParamsFromModel) |
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| 290 | self._poly_model.itemChanged.connect(self.onPolyModelChange) |
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| 291 | # TODO after the poly_model prototype accepted |
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| 292 | #self._magnet_model.itemChanged.connect(self.onMagneticModelChange) |
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| 293 | |
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| 294 | # Signals from separate tabs asking for replot |
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| 295 | self.options_widget.plot_signal.connect(self.onOptionsUpdate) |
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| 296 | |
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| 297 | def onSelectModel(self): |
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| 298 | """ |
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| 299 | Respond to select Model from list event |
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| 300 | """ |
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| 301 | model = str(self.cbModel.currentText()) |
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| 302 | |
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| 303 | # Reset structure factor |
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| 304 | self.cbStructureFactor.setCurrentIndex(0) |
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| 305 | |
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| 306 | # Reset parameters to fit |
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| 307 | self.parameters_to_fit = None |
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| 308 | self.has_error_column = False |
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| 309 | |
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| 310 | # Set enablement on calculate/plot |
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| 311 | self.cmdPlot.setEnabled(True) |
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| 312 | |
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| 313 | # SasModel -> QModel |
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| 314 | self.SASModelToQModel(model) |
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| 315 | |
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| 316 | if self.data_is_loaded: |
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| 317 | self.cmdPlot.setText("Show Plot") |
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| 318 | self.calculateQGridForModel() |
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| 319 | else: |
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| 320 | self.cmdPlot.setText("Calculate") |
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| 321 | # Create default datasets if no data passed |
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| 322 | self.createDefaultDataset() |
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| 323 | |
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| 324 | def onSelectStructureFactor(self): |
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| 325 | """ |
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| 326 | Select Structure Factor from list |
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| 327 | """ |
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| 328 | model = str(self.cbModel.currentText()) |
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| 329 | category = str(self.cbCategory.currentText()) |
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| 330 | structure = str(self.cbStructureFactor.currentText()) |
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| 331 | if category == CATEGORY_STRUCTURE: |
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| 332 | model = None |
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| 333 | self.SASModelToQModel(model, structure_factor=structure) |
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| 334 | |
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| 335 | def onSelectCategory(self): |
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| 336 | """ |
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| 337 | Select Category from list |
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| 338 | """ |
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| 339 | category = str(self.cbCategory.currentText()) |
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| 340 | # Check if the user chose "Choose category entry" |
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| 341 | if category == CATEGORY_DEFAULT: |
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| 342 | # if the previous category was not the default, keep it. |
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| 343 | # Otherwise, just return |
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| 344 | if self._previous_category_index != 0: |
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| 345 | # We need to block signals, or else state changes on perceived unchanged conditions |
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| 346 | self.cbCategory.blockSignals(True) |
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| 347 | self.cbCategory.setCurrentIndex(self._previous_category_index) |
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| 348 | self.cbCategory.blockSignals(False) |
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| 349 | return |
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| 350 | |
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| 351 | if category == CATEGORY_STRUCTURE: |
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| 352 | self.disableModelCombo() |
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| 353 | self.enableStructureCombo() |
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| 354 | self._model_model.clear() |
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| 355 | return |
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| 356 | |
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| 357 | # Safely clear and enable the model combo |
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| 358 | self.cbModel.blockSignals(True) |
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| 359 | self.cbModel.clear() |
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| 360 | self.cbModel.blockSignals(False) |
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| 361 | self.enableModelCombo() |
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| 362 | self.disableStructureCombo() |
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| 363 | |
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| 364 | self._previous_category_index = self.cbCategory.currentIndex() |
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| 365 | # Retrieve the list of models |
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| 366 | model_list = self.master_category_dict[category] |
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| 367 | models = [] |
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| 368 | # Populate the models combobox |
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| 369 | self.cbModel.addItems(sorted([model for (model, _) in model_list])) |
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| 370 | |
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| 371 | def onPolyModelChange(self, item): |
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| 372 | """ |
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| 373 | Callback method for updating the main model and sasmodel |
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| 374 | parameters with the GUI values in the polydispersity view |
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| 375 | """ |
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| 376 | model_column = item.column() |
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| 377 | model_row = item.row() |
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| 378 | name_index = self._poly_model.index(model_row, 0) |
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| 379 | # Extract changed value. Assumes proper validation by QValidator/Delegate |
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| 380 | # Checkbox in column 0 |
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| 381 | if model_column == 0: |
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| 382 | value = item.checkState() |
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| 383 | else: |
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| 384 | try: |
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| 385 | value = float(item.text()) |
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| 386 | except ValueError: |
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| 387 | # Can't be converted properly, bring back the old value and exit |
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| 388 | return |
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| 389 | |
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| 390 | parameter_name = str(self._poly_model.data(name_index).toPyObject()) # "distribution of sld" etc. |
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| 391 | if "Distribution of" in parameter_name: |
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| 392 | parameter_name = parameter_name[16:] |
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| 393 | property_name = str(self._poly_model.headerData(model_column, 1).toPyObject()) # Value, min, max, etc. |
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| 394 | # print "%s(%s) => %d" % (parameter_name, property_name, value) |
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| 395 | |
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| 396 | # Update the sasmodel |
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| 397 | #self.kernel_module.params[parameter_name] = value |
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| 398 | |
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| 399 | # Reload the main model - may not be required if no variable is shown in main view |
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| 400 | #model = str(self.cbModel.currentText()) |
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| 401 | #self.SASModelToQModel(model) |
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| 402 | |
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| 403 | pass # debug anchor |
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| 404 | |
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| 405 | def onFit(self): |
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| 406 | """ |
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| 407 | Perform fitting on the current data |
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| 408 | """ |
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| 409 | fitter = Fit() |
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| 410 | |
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| 411 | # Data going in |
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| 412 | data = self.logic.data |
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| 413 | model = self.kernel_module |
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| 414 | qmin = self.q_range_min |
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| 415 | qmax = self.q_range_max |
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| 416 | params_to_fit = self.parameters_to_fit |
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| 417 | |
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| 418 | # Potential weights added directly to data |
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| 419 | self.addWeightingToData(data) |
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| 420 | |
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| 421 | # Potential smearing added |
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| 422 | # Remember that smearing_min/max can be None -> |
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| 423 | # deal with it until Python gets discriminated unions |
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| 424 | smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() |
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| 425 | |
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| 426 | # These should be updating somehow? |
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| 427 | fit_id = 0 |
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| 428 | constraints = [] |
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| 429 | smearer = None |
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| 430 | page_id = [210] |
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| 431 | handler = None |
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| 432 | batch_inputs = {} |
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| 433 | batch_outputs = {} |
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| 434 | list_page_id = [page_id] |
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| 435 | #--------------------------------- |
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| 436 | |
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| 437 | # Parameterize the fitter |
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| 438 | fitter.set_model(model, fit_id, params_to_fit, data=data, |
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| 439 | constraints=constraints) |
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| 440 | fitter.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin, |
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| 441 | qmax=qmax) |
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| 442 | fitter.select_problem_for_fit(id=fit_id, value=1) |
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| 443 | |
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| 444 | fitter.fitter_id = page_id |
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| 445 | |
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| 446 | # Create the fitting thread, based on the fitter |
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| 447 | calc_fit = FitThread(handler=handler, |
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| 448 | fn=[fitter], |
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| 449 | batch_inputs=batch_inputs, |
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| 450 | batch_outputs=batch_outputs, |
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| 451 | page_id=list_page_id, |
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| 452 | updatefn=self.updateFit, |
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| 453 | completefn=None) |
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| 454 | |
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| 455 | # start the trhrhread |
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| 456 | calc_thread = threads.deferToThread(calc_fit.compute) |
|---|
| 457 | calc_thread.addCallback(self.fitComplete) |
|---|
| 458 | |
|---|
| 459 | #disable the Fit button |
|---|
| 460 | self.cmdFit.setText('Calculating...') |
|---|
| 461 | self.communicate.statusBarUpdateSignal.emit('Fitting started...') |
|---|
| 462 | self.cmdFit.setEnabled(False) |
|---|
| 463 | |
|---|
| 464 | def updateFit(self): |
|---|
| 465 | """ |
|---|
| 466 | """ |
|---|
| 467 | print "UPDATE FIT" |
|---|
| 468 | pass |
|---|
| 469 | |
|---|
| 470 | def fitComplete(self, result): |
|---|
| 471 | """ |
|---|
| 472 | Receive and display fitting results |
|---|
| 473 | "result" is a tuple of actual result list and the fit time in seconds |
|---|
| 474 | """ |
|---|
| 475 | #re-enable the Fit button |
|---|
| 476 | self.cmdFit.setText("Fit") |
|---|
| 477 | self.cmdFit.setEnabled(True) |
|---|
| 478 | |
|---|
| 479 | assert result is not None |
|---|
| 480 | |
|---|
| 481 | res_list = result[0] |
|---|
| 482 | res = res_list[0] |
|---|
| 483 | if res.fitness is None or \ |
|---|
| 484 | not np.isfinite(res.fitness) or \ |
|---|
| 485 | np.any(res.pvec == None) or \ |
|---|
| 486 | not np.all(np.isfinite(res.pvec)): |
|---|
| 487 | msg = "Fitting did not converge!!!" |
|---|
| 488 | self.communicate.statusBarUpdateSignal.emit(msg) |
|---|
| 489 | logging.error(msg) |
|---|
| 490 | return |
|---|
| 491 | |
|---|
| 492 | elapsed = result[1] |
|---|
| 493 | msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed) |
|---|
| 494 | self.communicate.statusBarUpdateSignal.emit(msg) |
|---|
| 495 | |
|---|
| 496 | fitness = res.fitness |
|---|
| 497 | param_list = res.param_list |
|---|
| 498 | param_values = res.pvec |
|---|
| 499 | param_stderr = res.stderr |
|---|
| 500 | params_and_errors = zip(param_values, param_stderr) |
|---|
| 501 | param_dict = dict(izip(param_list, params_and_errors)) |
|---|
| 502 | |
|---|
| 503 | # Dictionary of fitted parameter: value, error |
|---|
| 504 | # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)} |
|---|
| 505 | self.updateModelFromList(param_dict) |
|---|
| 506 | |
|---|
| 507 | # update charts |
|---|
| 508 | self.onPlot() |
|---|
| 509 | |
|---|
| 510 | # Read only value - we can get away by just printing it here |
|---|
| 511 | chi2_repr = GuiUtils.formatNumber(fitness, high=True) |
|---|
| 512 | self.lblChi2Value.setText(chi2_repr) |
|---|
| 513 | |
|---|
| 514 | def iterateOverModel(self, func): |
|---|
| 515 | """ |
|---|
| 516 | Take func and throw it inside the model row loop |
|---|
| 517 | """ |
|---|
| 518 | #assert isinstance(func, function) |
|---|
| 519 | for row_i in xrange(self._model_model.rowCount()): |
|---|
| 520 | func(row_i) |
|---|
| 521 | |
|---|
| 522 | def updateModelFromList(self, param_dict): |
|---|
| 523 | """ |
|---|
| 524 | Update the model with new parameters, create the errors column |
|---|
| 525 | """ |
|---|
| 526 | assert isinstance(param_dict, dict) |
|---|
| 527 | if not dict: |
|---|
| 528 | return |
|---|
| 529 | |
|---|
| 530 | def updateFittedValues(row_i): |
|---|
| 531 | # Utility function for main model update |
|---|
| 532 | # internal so can use closure for param_dict |
|---|
| 533 | param_name = str(self._model_model.item(row_i, 0).text()) |
|---|
| 534 | if param_name not in param_dict.keys(): |
|---|
| 535 | return |
|---|
| 536 | # modify the param value |
|---|
| 537 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
|---|
| 538 | self._model_model.item(row_i, 1).setText(param_repr) |
|---|
| 539 | if self.has_error_column: |
|---|
| 540 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
|---|
| 541 | self._model_model.item(row_i, 2).setText(error_repr) |
|---|
| 542 | |
|---|
| 543 | def createErrorColumn(row_i): |
|---|
| 544 | # Utility function for error column update |
|---|
| 545 | item = QtGui.QStandardItem() |
|---|
| 546 | for param_name in param_dict.keys(): |
|---|
| 547 | if str(self._model_model.item(row_i, 0).text()) != param_name: |
|---|
| 548 | continue |
|---|
| 549 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
|---|
| 550 | item.setText(error_repr) |
|---|
| 551 | error_column.append(item) |
|---|
| 552 | |
|---|
| 553 | self.iterateOverModel(updateFittedValues) |
|---|
| 554 | |
|---|
| 555 | if self.has_error_column: |
|---|
| 556 | return |
|---|
| 557 | |
|---|
| 558 | error_column = [] |
|---|
| 559 | self.iterateOverModel(createErrorColumn) |
|---|
| 560 | |
|---|
| 561 | # switch off reponse to model change |
|---|
| 562 | self._model_model.blockSignals(True) |
|---|
| 563 | self._model_model.insertColumn(2, error_column) |
|---|
| 564 | self._model_model.blockSignals(False) |
|---|
| 565 | FittingUtilities.addErrorHeadersToModel(self._model_model) |
|---|
| 566 | # Adjust the table cells width. |
|---|
| 567 | # TODO: find a way to dynamically adjust column width while resized expanding |
|---|
| 568 | self.lstParams.resizeColumnToContents(0) |
|---|
| 569 | self.lstParams.resizeColumnToContents(4) |
|---|
| 570 | self.lstParams.resizeColumnToContents(5) |
|---|
| 571 | self.lstParams.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
|---|
| 572 | |
|---|
| 573 | self.has_error_column = True |
|---|
| 574 | |
|---|
| 575 | def onPlot(self): |
|---|
| 576 | """ |
|---|
| 577 | Plot the current set of data |
|---|
| 578 | """ |
|---|
| 579 | # Regardless of previous state, this should now be `plot show` functionality only |
|---|
| 580 | self.cmdPlot.setText("Show Plot") |
|---|
| 581 | self.recalculatePlotData() |
|---|
| 582 | self.showPlot() |
|---|
| 583 | |
|---|
| 584 | def recalculatePlotData(self): |
|---|
| 585 | """ |
|---|
| 586 | Generate a new dataset for model |
|---|
| 587 | """ |
|---|
| 588 | if not self.data_is_loaded: |
|---|
| 589 | self.createDefaultDataset() |
|---|
| 590 | self.calculateQGridForModel() |
|---|
| 591 | |
|---|
| 592 | def showPlot(self): |
|---|
| 593 | """ |
|---|
| 594 | Show the current plot in MPL |
|---|
| 595 | """ |
|---|
| 596 | # Show the chart if ready |
|---|
| 597 | data_to_show = self.data if self.data_is_loaded else self.model_data |
|---|
| 598 | if data_to_show is not None: |
|---|
| 599 | self.communicate.plotRequestedSignal.emit([data_to_show]) |
|---|
| 600 | |
|---|
| 601 | def onOptionsUpdate(self): |
|---|
| 602 | """ |
|---|
| 603 | Update local option values and replot |
|---|
| 604 | """ |
|---|
| 605 | self.q_range_min, self.q_range_max, self.npts, self.log_points, self.weighting = \ |
|---|
| 606 | self.options_widget.state() |
|---|
| 607 | # set Q range labels on the main tab |
|---|
| 608 | self.lblMinRangeDef.setText(str(self.q_range_min)) |
|---|
| 609 | self.lblMaxRangeDef.setText(str(self.q_range_max)) |
|---|
| 610 | self.recalculatePlotData() |
|---|
| 611 | |
|---|
| 612 | def setDefaultStructureCombo(self): |
|---|
| 613 | """ |
|---|
| 614 | Fill in the structure factors combo box with defaults |
|---|
| 615 | """ |
|---|
| 616 | structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE) |
|---|
| 617 | factors = [factor[0] for factor in structure_factor_list] |
|---|
| 618 | factors.insert(0, STRUCTURE_DEFAULT) |
|---|
| 619 | self.cbStructureFactor.clear() |
|---|
| 620 | self.cbStructureFactor.addItems(sorted(factors)) |
|---|
| 621 | |
|---|
| 622 | def createDefaultDataset(self): |
|---|
| 623 | """ |
|---|
| 624 | Generate default Dataset 1D/2D for the given model |
|---|
| 625 | """ |
|---|
| 626 | # Create default datasets if no data passed |
|---|
| 627 | if self.is2D: |
|---|
| 628 | qmax = self.q_range_max/np.sqrt(2) |
|---|
| 629 | qstep = self.npts |
|---|
| 630 | self.logic.createDefault2dData(qmax, qstep, self.tab_id) |
|---|
| 631 | return |
|---|
| 632 | elif self.log_points: |
|---|
| 633 | qmin = -10.0 if self.q_range_min < 1.e-10 else np.log10(self.q_range_min) |
|---|
| 634 | qmax = 10.0 if self.q_range_max > 1.e10 else np.log10(self.q_range_max) |
|---|
| 635 | interval = np.logspace(start=qmin, stop=qmax, num=self.npts, endpoint=True, base=10.0) |
|---|
| 636 | else: |
|---|
| 637 | interval = np.linspace(start=self.q_range_min, stop=self.q_range_max, |
|---|
| 638 | num=self.npts, endpoint=True) |
|---|
| 639 | self.logic.createDefault1dData(interval, self.tab_id) |
|---|
| 640 | |
|---|
| 641 | def readCategoryInfo(self): |
|---|
| 642 | """ |
|---|
| 643 | Reads the categories in from file |
|---|
| 644 | """ |
|---|
| 645 | self.master_category_dict = defaultdict(list) |
|---|
| 646 | self.by_model_dict = defaultdict(list) |
|---|
| 647 | self.model_enabled_dict = defaultdict(bool) |
|---|
| 648 | |
|---|
| 649 | categorization_file = CategoryInstaller.get_user_file() |
|---|
| 650 | if not os.path.isfile(categorization_file): |
|---|
| 651 | categorization_file = CategoryInstaller.get_default_file() |
|---|
| 652 | with open(categorization_file, 'rb') as cat_file: |
|---|
| 653 | self.master_category_dict = json.load(cat_file) |
|---|
| 654 | self.regenerateModelDict() |
|---|
| 655 | |
|---|
| 656 | # Load the model dict |
|---|
| 657 | models = load_standard_models() |
|---|
| 658 | for model in models: |
|---|
| 659 | self.models[model.name] = model |
|---|
| 660 | |
|---|
| 661 | def regenerateModelDict(self): |
|---|
| 662 | """ |
|---|
| 663 | Regenerates self.by_model_dict which has each model name as the |
|---|
| 664 | key and the list of categories belonging to that model |
|---|
| 665 | along with the enabled mapping |
|---|
| 666 | """ |
|---|
| 667 | self.by_model_dict = defaultdict(list) |
|---|
| 668 | for category in self.master_category_dict: |
|---|
| 669 | for (model, enabled) in self.master_category_dict[category]: |
|---|
| 670 | self.by_model_dict[model].append(category) |
|---|
| 671 | self.model_enabled_dict[model] = enabled |
|---|
| 672 | |
|---|
| 673 | def addBackgroundToModel(self, model): |
|---|
| 674 | """ |
|---|
| 675 | Adds background parameter with default values to the model |
|---|
| 676 | """ |
|---|
| 677 | assert isinstance(model, QtGui.QStandardItemModel) |
|---|
| 678 | checked_list = ['background', '0.001', '-inf', 'inf', '1/cm'] |
|---|
| 679 | FittingUtilities.addCheckedListToModel(model, checked_list) |
|---|
| 680 | |
|---|
| 681 | def addScaleToModel(self, model): |
|---|
| 682 | """ |
|---|
| 683 | Adds scale parameter with default values to the model |
|---|
| 684 | """ |
|---|
| 685 | assert isinstance(model, QtGui.QStandardItemModel) |
|---|
| 686 | checked_list = ['scale', '1.0', '0.0', 'inf', ''] |
|---|
| 687 | FittingUtilities.addCheckedListToModel(model, checked_list) |
|---|
| 688 | |
|---|
| 689 | def addWeightingToData(self, data): |
|---|
| 690 | """ |
|---|
| 691 | Adds weighting contribution to fitting data |
|---|
| 692 | #""" |
|---|
| 693 | # Send original data for weighting |
|---|
| 694 | weight = get_weight(data=data, is2d=self.is2D, flag=self.weighting) |
|---|
| 695 | update_module = data.err_data if self.is2D else data.dy |
|---|
| 696 | update_module = weight |
|---|
| 697 | |
|---|
| 698 | def updateQRange(self): |
|---|
| 699 | """ |
|---|
| 700 | Updates Q Range display |
|---|
| 701 | """ |
|---|
| 702 | if self.data_is_loaded: |
|---|
| 703 | self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange() |
|---|
| 704 | # set Q range labels on the main tab |
|---|
| 705 | self.lblMinRangeDef.setText(str(self.q_range_min)) |
|---|
| 706 | self.lblMaxRangeDef.setText(str(self.q_range_max)) |
|---|
| 707 | # set Q range labels on the options tab |
|---|
| 708 | self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts) |
|---|
| 709 | |
|---|
| 710 | def SASModelToQModel(self, model_name, structure_factor=None): |
|---|
| 711 | """ |
|---|
| 712 | Setting model parameters into table based on selected category |
|---|
| 713 | """ |
|---|
| 714 | # TODO - modify for structure factor-only choice |
|---|
| 715 | |
|---|
| 716 | # Crete/overwrite model items |
|---|
| 717 | self._model_model.clear() |
|---|
| 718 | |
|---|
| 719 | kernel_module = generate.load_kernel_module(model_name) |
|---|
| 720 | self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', [])) |
|---|
| 721 | |
|---|
| 722 | # Instantiate the current sasmodel |
|---|
| 723 | self.kernel_module = self.models[model_name]() |
|---|
| 724 | |
|---|
| 725 | # Explicitly add scale and background with default values |
|---|
| 726 | self.addScaleToModel(self._model_model) |
|---|
| 727 | self.addBackgroundToModel(self._model_model) |
|---|
| 728 | |
|---|
| 729 | # Update the QModel |
|---|
| 730 | new_rows = FittingUtilities.addParametersToModel(self.model_parameters, self.is2D) |
|---|
| 731 | for row in new_rows: |
|---|
| 732 | self._model_model.appendRow(row) |
|---|
| 733 | # Update the counter used for multishell display |
|---|
| 734 | self._last_model_row = self._model_model.rowCount() |
|---|
| 735 | |
|---|
| 736 | FittingUtilities.addHeadersToModel(self._model_model) |
|---|
| 737 | |
|---|
| 738 | # Add structure factor |
|---|
| 739 | if structure_factor is not None and structure_factor != "None": |
|---|
| 740 | structure_module = generate.load_kernel_module(structure_factor) |
|---|
| 741 | structure_parameters = modelinfo.make_parameter_table(getattr(structure_module, 'parameters', [])) |
|---|
| 742 | new_rows = FittingUtilities.addSimpleParametersToModel(structure_parameters, self.is2D) |
|---|
| 743 | for row in new_rows: |
|---|
| 744 | self._model_model.appendRow(row) |
|---|
| 745 | # Update the counter used for multishell display |
|---|
| 746 | self._last_model_row = self._model_model.rowCount() |
|---|
| 747 | else: |
|---|
| 748 | self.addStructureFactor() |
|---|
| 749 | |
|---|
| 750 | # Multishell models need additional treatment |
|---|
| 751 | self.addExtraShells() |
|---|
| 752 | |
|---|
| 753 | # Add polydispersity to the model |
|---|
| 754 | self.setPolyModel() |
|---|
| 755 | # Add magnetic parameters to the model |
|---|
| 756 | self.setMagneticModel() |
|---|
| 757 | |
|---|
| 758 | # Adjust the table cells width |
|---|
| 759 | self.lstParams.resizeColumnToContents(0) |
|---|
| 760 | self.lstParams.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
|---|
| 761 | |
|---|
| 762 | # Now we claim the model has been loaded |
|---|
| 763 | self.model_is_loaded = True |
|---|
| 764 | |
|---|
| 765 | # Update Q Ranges |
|---|
| 766 | self.updateQRange() |
|---|
| 767 | |
|---|
| 768 | def updateParamsFromModel(self, item): |
|---|
| 769 | """ |
|---|
| 770 | Callback method for updating the sasmodel parameters with the GUI values |
|---|
| 771 | """ |
|---|
| 772 | model_column = item.column() |
|---|
| 773 | |
|---|
| 774 | if model_column == 0: |
|---|
| 775 | self.checkboxSelected(item) |
|---|
| 776 | return |
|---|
| 777 | |
|---|
| 778 | model_row = item.row() |
|---|
| 779 | name_index = self._model_model.index(model_row, 0) |
|---|
| 780 | |
|---|
| 781 | # Extract changed value. Assumes proper validation by QValidator/Delegate |
|---|
| 782 | value = float(item.text()) |
|---|
| 783 | parameter_name = str(self._model_model.data(name_index).toPyObject()) # sld, background etc. |
|---|
| 784 | property_name = str(self._model_model.headerData(1, model_column).toPyObject()) # Value, min, max, etc. |
|---|
| 785 | |
|---|
| 786 | self.kernel_module.params[parameter_name] = value |
|---|
| 787 | |
|---|
| 788 | # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf] |
|---|
| 789 | # magnetic params in self.kernel_module.details['M0:parameter_name'] = value |
|---|
| 790 | # multishell params in self.kernel_module.details[??] = value |
|---|
| 791 | |
|---|
| 792 | # Force the chart update when actual parameters changed |
|---|
| 793 | if model_column == 1: |
|---|
| 794 | self.recalculatePlotData() |
|---|
| 795 | |
|---|
| 796 | def checkboxSelected(self, item): |
|---|
| 797 | # Assure we're dealing with checkboxes |
|---|
| 798 | if not item.isCheckable(): |
|---|
| 799 | return |
|---|
| 800 | status = item.checkState() |
|---|
| 801 | |
|---|
| 802 | def isChecked(row): |
|---|
| 803 | return self._model_model.item(row, 0).checkState() == QtCore.Qt.Checked |
|---|
| 804 | |
|---|
| 805 | def isCheckable(row): |
|---|
| 806 | return self._model_model.item(row, 0).isCheckable() |
|---|
| 807 | |
|---|
| 808 | # If multiple rows selected - toggle all of them, filtering uncheckable |
|---|
| 809 | rows = [s.row() for s in self.lstParams.selectionModel().selectedRows() if isCheckable(s.row())] |
|---|
| 810 | |
|---|
| 811 | # Switch off signaling from the model to avoid recursion |
|---|
| 812 | self._model_model.blockSignals(True) |
|---|
| 813 | # Convert to proper indices and set requested enablement |
|---|
| 814 | items = [self._model_model.item(row, 0).setCheckState(status) for row in rows] |
|---|
| 815 | self._model_model.blockSignals(False) |
|---|
| 816 | |
|---|
| 817 | # update the list of parameters to fit |
|---|
| 818 | self.parameters_to_fit = [str(self._model_model.item(row_index, 0).text()) |
|---|
| 819 | for row_index in xrange(self._model_model.rowCount()) |
|---|
| 820 | if isChecked(row_index)] |
|---|
| 821 | |
|---|
| 822 | def nameForFittedData(self, name): |
|---|
| 823 | """ |
|---|
| 824 | Generate name for the current fit |
|---|
| 825 | """ |
|---|
| 826 | if self.is2D: |
|---|
| 827 | name += "2d" |
|---|
| 828 | name = "M%i [%s]" % (self.tab_id, name) |
|---|
| 829 | return name |
|---|
| 830 | |
|---|
| 831 | def createNewIndex(self, fitted_data): |
|---|
| 832 | """ |
|---|
| 833 | Create a model or theory index with passed Data1D/Data2D |
|---|
| 834 | """ |
|---|
| 835 | if self.data_is_loaded: |
|---|
| 836 | if not fitted_data.name: |
|---|
| 837 | name = self.nameForFittedData(self.data.filename) |
|---|
| 838 | fitted_data.title = name |
|---|
| 839 | fitted_data.name = name |
|---|
| 840 | fitted_data.filename = name |
|---|
| 841 | fitted_data.symbol = "Line" |
|---|
| 842 | self.updateModelIndex(fitted_data) |
|---|
| 843 | else: |
|---|
| 844 | name = self.nameForFittedData(self.kernel_module.name) |
|---|
| 845 | fitted_data.title = name |
|---|
| 846 | fitted_data.name = name |
|---|
| 847 | fitted_data.filename = name |
|---|
| 848 | fitted_data.symbol = "Line" |
|---|
| 849 | self.createTheoryIndex(fitted_data) |
|---|
| 850 | |
|---|
| 851 | def updateModelIndex(self, fitted_data): |
|---|
| 852 | """ |
|---|
| 853 | Update a QStandardModelIndex containing model data |
|---|
| 854 | """ |
|---|
| 855 | if fitted_data.name is None: |
|---|
| 856 | name = self.nameForFittedData(self.logic.data.filename) |
|---|
| 857 | fitted_data.title = name |
|---|
| 858 | fitted_data.name = name |
|---|
| 859 | else: |
|---|
| 860 | name = fitted_data.name |
|---|
| 861 | # Make this a line if no other defined |
|---|
| 862 | if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None: |
|---|
| 863 | fitted_data.symbol = 'Line' |
|---|
| 864 | # Notify the GUI manager so it can update the main model in DataExplorer |
|---|
| 865 | GuiUtils.updateModelItemWithPlot(self._index, QtCore.QVariant(fitted_data), name) |
|---|
| 866 | |
|---|
| 867 | def createTheoryIndex(self, fitted_data): |
|---|
| 868 | """ |
|---|
| 869 | Create a QStandardModelIndex containing model data |
|---|
| 870 | """ |
|---|
| 871 | if fitted_data.name is None: |
|---|
| 872 | name = self.nameForFittedData(self.kernel_module.name) |
|---|
| 873 | fitted_data.title = name |
|---|
| 874 | fitted_data.name = name |
|---|
| 875 | fitted_data.filename = name |
|---|
| 876 | else: |
|---|
| 877 | name = fitted_data.name |
|---|
| 878 | # Notify the GUI manager so it can create the theory model in DataExplorer |
|---|
| 879 | new_item = GuiUtils.createModelItemWithPlot(QtCore.QVariant(fitted_data), name=name) |
|---|
| 880 | self.communicate.updateTheoryFromPerspectiveSignal.emit(new_item) |
|---|
| 881 | |
|---|
| 882 | def methodCalculateForData(self): |
|---|
| 883 | '''return the method for data calculation''' |
|---|
| 884 | return Calc1D if isinstance(self.data, Data1D) else Calc2D |
|---|
| 885 | |
|---|
| 886 | def methodCompleteForData(self): |
|---|
| 887 | '''return the method for result parsin on calc complete ''' |
|---|
| 888 | return self.complete1D if isinstance(self.data, Data1D) else self.complete2D |
|---|
| 889 | |
|---|
| 890 | def calculateQGridForModel(self): |
|---|
| 891 | """ |
|---|
| 892 | Prepare the fitting data object, based on current ModelModel |
|---|
| 893 | """ |
|---|
| 894 | if self.kernel_module is None: |
|---|
| 895 | return |
|---|
| 896 | # Awful API to a backend method. |
|---|
| 897 | method = self.methodCalculateForData()(data=self.data, |
|---|
| 898 | model=self.kernel_module, |
|---|
| 899 | page_id=0, |
|---|
| 900 | qmin=self.q_range_min, |
|---|
| 901 | qmax=self.q_range_max, |
|---|
| 902 | smearer=None, |
|---|
| 903 | state=None, |
|---|
| 904 | weight=None, |
|---|
| 905 | fid=None, |
|---|
| 906 | toggle_mode_on=False, |
|---|
| 907 | completefn=None, |
|---|
| 908 | update_chisqr=True, |
|---|
| 909 | exception_handler=self.calcException, |
|---|
| 910 | source=None) |
|---|
| 911 | |
|---|
| 912 | calc_thread = threads.deferToThread(method.compute) |
|---|
| 913 | calc_thread.addCallback(self.methodCompleteForData()) |
|---|
| 914 | |
|---|
| 915 | def complete1D(self, return_data): |
|---|
| 916 | """ |
|---|
| 917 | Plot the current 1D data |
|---|
| 918 | """ |
|---|
| 919 | fitted_data = self.logic.new1DPlot(return_data, self.tab_id) |
|---|
| 920 | self.calculateResiduals(fitted_data) |
|---|
| 921 | self.model_data = fitted_data |
|---|
| 922 | |
|---|
| 923 | def complete2D(self, return_data): |
|---|
| 924 | """ |
|---|
| 925 | Plot the current 2D data |
|---|
| 926 | """ |
|---|
| 927 | fitted_data = self.logic.new2DPlot(return_data) |
|---|
| 928 | self.calculateResiduals(fitted_data) |
|---|
| 929 | self.model_data = fitted_data |
|---|
| 930 | |
|---|
| 931 | def calculateResiduals(self, fitted_data): |
|---|
| 932 | """ |
|---|
| 933 | Calculate and print Chi2 and display chart of residuals |
|---|
| 934 | """ |
|---|
| 935 | # Create a new index for holding data |
|---|
| 936 | fitted_data.symbol = "Line" |
|---|
| 937 | self.createNewIndex(fitted_data) |
|---|
| 938 | # Calculate difference between return_data and logic.data |
|---|
| 939 | chi2 = FittingUtilities.calculateChi2(fitted_data, self.logic.data) |
|---|
| 940 | # Update the control |
|---|
| 941 | chi2_repr = "---" if chi2 is None else GuiUtils.formatNumber(chi2, high=True) |
|---|
| 942 | self.lblChi2Value.setText(chi2_repr) |
|---|
| 943 | |
|---|
| 944 | self.communicate.plotUpdateSignal.emit([fitted_data]) |
|---|
| 945 | |
|---|
| 946 | # Plot residuals if actual data |
|---|
| 947 | if self.data_is_loaded: |
|---|
| 948 | residuals_plot = FittingUtilities.plotResiduals(self.data, fitted_data) |
|---|
| 949 | residuals_plot.id = "Residual " + residuals_plot.id |
|---|
| 950 | self.createNewIndex(residuals_plot) |
|---|
| 951 | self.communicate.plotUpdateSignal.emit([residuals_plot]) |
|---|
| 952 | |
|---|
| 953 | def calcException(self, etype, value, tb): |
|---|
| 954 | """ |
|---|
| 955 | Something horrible happened in the deferred. |
|---|
| 956 | """ |
|---|
| 957 | logging.error("".join(traceback.format_exception(etype, value, tb))) |
|---|
| 958 | |
|---|
| 959 | def setTableProperties(self, table): |
|---|
| 960 | """ |
|---|
| 961 | Setting table properties |
|---|
| 962 | """ |
|---|
| 963 | # Table properties |
|---|
| 964 | table.verticalHeader().setVisible(False) |
|---|
| 965 | table.setAlternatingRowColors(True) |
|---|
| 966 | table.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
|---|
| 967 | table.setSelectionBehavior(QtGui.QAbstractItemView.SelectRows) |
|---|
| 968 | table.resizeColumnsToContents() |
|---|
| 969 | |
|---|
| 970 | # Header |
|---|
| 971 | header = table.horizontalHeader() |
|---|
| 972 | header.setResizeMode(QtGui.QHeaderView.ResizeToContents) |
|---|
| 973 | |
|---|
| 974 | header.ResizeMode(QtGui.QHeaderView.Interactive) |
|---|
| 975 | # Resize column 0 and 6 to content |
|---|
| 976 | header.setResizeMode(0, QtGui.QHeaderView.ResizeToContents) |
|---|
| 977 | header.setResizeMode(6, QtGui.QHeaderView.ResizeToContents) |
|---|
| 978 | |
|---|
| 979 | def setPolyModel(self): |
|---|
| 980 | """ |
|---|
| 981 | Set polydispersity values |
|---|
| 982 | """ |
|---|
| 983 | if not self.model_parameters: |
|---|
| 984 | return |
|---|
| 985 | self._poly_model.clear() |
|---|
| 986 | for row, param in enumerate(self.model_parameters.form_volume_parameters): |
|---|
| 987 | # Counters should not be included |
|---|
| 988 | if not param.polydisperse: |
|---|
| 989 | continue |
|---|
| 990 | |
|---|
| 991 | # Potential multishell params |
|---|
| 992 | checked_list = ["Distribution of "+param.name, str(param.default), |
|---|
| 993 | str(param.limits[0]), str(param.limits[1]), |
|---|
| 994 | "35", "3", ""] |
|---|
| 995 | FittingUtilities.addCheckedListToModel(self._poly_model, checked_list) |
|---|
| 996 | |
|---|
| 997 | #TODO: Need to find cleaner way to input functions |
|---|
| 998 | func = QtGui.QComboBox() |
|---|
| 999 | func.addItems(['rectangle', 'array', 'lognormal', 'gaussian', 'schulz',]) |
|---|
| 1000 | func_index = self.lstPoly.model().index(row, 6) |
|---|
| 1001 | self.lstPoly.setIndexWidget(func_index, func) |
|---|
| 1002 | |
|---|
| 1003 | FittingUtilities.addPolyHeadersToModel(self._poly_model) |
|---|
| 1004 | |
|---|
| 1005 | def setMagneticModel(self): |
|---|
| 1006 | """ |
|---|
| 1007 | Set magnetism values on model |
|---|
| 1008 | """ |
|---|
| 1009 | if not self.model_parameters: |
|---|
| 1010 | return |
|---|
| 1011 | self._magnet_model.clear() |
|---|
| 1012 | for param in self.model_parameters.call_parameters: |
|---|
| 1013 | if param.type != "magnetic": |
|---|
| 1014 | continue |
|---|
| 1015 | checked_list = [param.name, |
|---|
| 1016 | str(param.default), |
|---|
| 1017 | str(param.limits[0]), |
|---|
| 1018 | str(param.limits[1]), |
|---|
| 1019 | param.units] |
|---|
| 1020 | FittingUtilities.addCheckedListToModel(self._magnet_model, checked_list) |
|---|
| 1021 | |
|---|
| 1022 | FittingUtilities.addHeadersToModel(self._magnet_model) |
|---|
| 1023 | |
|---|
| 1024 | def addStructureFactor(self): |
|---|
| 1025 | """ |
|---|
| 1026 | Add structure factors to the list of parameters |
|---|
| 1027 | """ |
|---|
| 1028 | if self.kernel_module.is_form_factor: |
|---|
| 1029 | self.enableStructureCombo() |
|---|
| 1030 | else: |
|---|
| 1031 | self.disableStructureCombo() |
|---|
| 1032 | |
|---|
| 1033 | def addExtraShells(self): |
|---|
| 1034 | """ |
|---|
| 1035 | Add a combobox for multiple shell display |
|---|
| 1036 | """ |
|---|
| 1037 | param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters) |
|---|
| 1038 | |
|---|
| 1039 | if param_length == 0: |
|---|
| 1040 | return |
|---|
| 1041 | |
|---|
| 1042 | # cell 1: variable name |
|---|
| 1043 | item1 = QtGui.QStandardItem(param_name) |
|---|
| 1044 | |
|---|
| 1045 | func = QtGui.QComboBox() |
|---|
| 1046 | # Available range of shells displayed in the combobox |
|---|
| 1047 | func.addItems([str(i) for i in xrange(param_length+1)]) |
|---|
| 1048 | |
|---|
| 1049 | # Respond to index change |
|---|
| 1050 | func.currentIndexChanged.connect(self.modifyShellsInList) |
|---|
| 1051 | |
|---|
| 1052 | # cell 2: combobox |
|---|
| 1053 | item2 = QtGui.QStandardItem() |
|---|
| 1054 | self._model_model.appendRow([item1, item2]) |
|---|
| 1055 | |
|---|
| 1056 | # Beautify the row: span columns 2-4 |
|---|
| 1057 | shell_row = self._model_model.rowCount() |
|---|
| 1058 | shell_index = self._model_model.index(shell_row-1, 1) |
|---|
| 1059 | |
|---|
| 1060 | self.lstParams.setIndexWidget(shell_index, func) |
|---|
| 1061 | self._last_model_row = self._model_model.rowCount() |
|---|
| 1062 | |
|---|
| 1063 | # Set the index to the state-kept value |
|---|
| 1064 | func.setCurrentIndex(self.current_shell_displayed |
|---|
| 1065 | if self.current_shell_displayed < func.count() else 0) |
|---|
| 1066 | |
|---|
| 1067 | def modifyShellsInList(self, index): |
|---|
| 1068 | """ |
|---|
| 1069 | Add/remove additional multishell parameters |
|---|
| 1070 | """ |
|---|
| 1071 | # Find row location of the combobox |
|---|
| 1072 | last_row = self._last_model_row |
|---|
| 1073 | remove_rows = self._model_model.rowCount() - last_row |
|---|
| 1074 | |
|---|
| 1075 | if remove_rows > 1: |
|---|
| 1076 | self._model_model.removeRows(last_row, remove_rows) |
|---|
| 1077 | |
|---|
| 1078 | FittingUtilities.addShellsToModel(self.model_parameters, self._model_model, index) |
|---|
| 1079 | self.current_shell_displayed = index |
|---|
| 1080 | |
|---|
