[60af928] | 1 | import sys |
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| 2 | import json |
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| 3 | import os |
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| 4 | from collections import defaultdict |
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| 5 | |
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| 6 | from PyQt4 import QtGui |
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| 7 | from PyQt4 import QtCore |
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| 8 | |
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| 9 | from UI.FittingWidgetUI import Ui_FittingWidgetUI |
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| 10 | |
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| 11 | from sasmodels import generate |
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| 12 | from sasmodels import modelinfo |
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| 13 | from sas.sasgui.guiframe.CategoryInstaller import CategoryInstaller |
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| 14 | |
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| 15 | TAB_MAGNETISM = 4 |
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| 16 | TAB_POLY = 3 |
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| 17 | |
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| 18 | class FittingWidget(QtGui.QWidget, Ui_FittingWidgetUI): |
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| 19 | """ |
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[f46f6dc] | 20 | Main widget for selecting form and structure factor models |
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[60af928] | 21 | """ |
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| 22 | def __init__(self, manager=None, parent=None, data=None): |
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| 23 | """ |
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| 24 | |
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| 25 | :param manager: |
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| 26 | :param parent: |
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| 27 | :return: |
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| 28 | """ |
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| 29 | super(FittingWidget, self).__init__() |
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| 30 | |
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| 31 | self.model_is_loaded = False |
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| 32 | self._data = data |
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| 33 | self.is2D = False |
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| 34 | self.modelHasShells = False |
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[f46f6dc] | 35 | self.data_assigned = False |
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[60af928] | 36 | |
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| 37 | self.setupUi(self) |
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| 38 | |
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| 39 | self.setWindowTitle("Fitting") |
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| 40 | |
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| 41 | # set the main models |
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| 42 | self._model_model = QtGui.QStandardItemModel() |
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| 43 | self._poly_model = QtGui.QStandardItemModel() |
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| 44 | self._magnet_model = QtGui.QStandardItemModel() |
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| 45 | |
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| 46 | # Param model displayed in param list |
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| 47 | self.lstParams.setModel(self._model_model) |
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| 48 | self._readCategoryInfo() |
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| 49 | self.model_parameters = None |
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| 50 | |
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| 51 | # Poly model displayed in poly list |
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| 52 | self.lstPoly.setModel(self._poly_model) |
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| 53 | self.setPolyModel() |
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| 54 | self.setTableProperties(self.lstPoly) |
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| 55 | |
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| 56 | # Magnetism model displayed in magnetism list |
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| 57 | self.lstMagnetic.setModel(self._magnet_model) |
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| 58 | self.setMagneticModel() |
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| 59 | self.setTableProperties(self.lstMagnetic) |
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| 60 | |
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[6f7f652] | 61 | # Defaults for the strcutre factors |
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| 62 | self.setDefaultStructureCombo() |
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| 63 | |
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| 64 | # make structure factor and model CBs disabled |
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| 65 | self.disableModelCombo() |
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| 66 | self.disableStructureCombo() |
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[60af928] | 67 | |
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[6f7f652] | 68 | # Generate the category list for display |
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[60af928] | 69 | category_list = sorted(self.master_category_dict.keys()) |
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[6f7f652] | 70 | self.cbCategory.addItem("Choose category...") |
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[60af928] | 71 | self.cbCategory.addItems(category_list) |
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[6f7f652] | 72 | self.cbCategory.addItem("Structure Factor") |
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| 73 | self.cbCategory.setCurrentIndex(0) |
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[60af928] | 74 | |
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| 75 | # Connect GUI element signals |
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| 76 | self.cbStructureFactor.currentIndexChanged.connect(self.selectStructureFactor) |
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| 77 | self.cbCategory.currentIndexChanged.connect(self.selectCategory) |
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| 78 | self.cbModel.currentIndexChanged.connect(self.selectModel) |
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| 79 | self.chk2DView.toggled.connect(self.toggle2D) |
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| 80 | self.chkPolydispersity.toggled.connect(self.togglePoly) |
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| 81 | self.chkMagnetism.toggled.connect(self.toggleMagnetism) |
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| 82 | |
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| 83 | # Set initial control enablement |
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| 84 | self.cmdFit.setEnabled(False) |
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| 85 | self.cmdPlot.setEnabled(True) |
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| 86 | self.chkPolydispersity.setEnabled(True) |
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| 87 | self.chkPolydispersity.setCheckState(False) |
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| 88 | self.chk2DView.setEnabled(True) |
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| 89 | self.chk2DView.setCheckState(False) |
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| 90 | self.chkMagnetism.setEnabled(False) |
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| 91 | self.chkMagnetism.setCheckState(False) |
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| 92 | |
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| 93 | self.tabFitting.setTabEnabled(TAB_POLY, False) |
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| 94 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, False) |
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| 95 | |
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| 96 | # set initial labels |
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| 97 | self.lblMinRangeDef.setText("---") |
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| 98 | self.lblMaxRangeDef.setText("---") |
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| 99 | self.lblChi2Value.setText("---") |
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| 100 | |
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| 101 | @property |
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| 102 | def data(self): |
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| 103 | return self._data |
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| 104 | |
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| 105 | @data.setter |
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| 106 | def data(self, value): |
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| 107 | """ data setter """ |
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| 108 | self._data = value |
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[f46f6dc] | 109 | self.data_assigned = True |
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[60af928] | 110 | # TODO: update ranges, chi2 etc |
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| 111 | |
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[f46f6dc] | 112 | def acceptsData(self): |
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| 113 | """ Tells the caller this widget can accept new dataset """ |
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| 114 | return not self.data_assigned |
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| 115 | |
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[6f7f652] | 116 | def disableModelCombo(self): |
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| 117 | self.cbModel.setEnabled(False) |
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| 118 | self.label_3.setEnabled(False) |
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| 119 | |
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| 120 | def enableModelCombo(self): |
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| 121 | self.cbModel.setEnabled(True) |
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| 122 | self.label_3.setEnabled(True) |
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| 123 | |
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| 124 | def disableStructureCombo(self): |
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| 125 | self.cbStructureFactor.setEnabled(False) |
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| 126 | self.label_4.setEnabled(False) |
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| 127 | |
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| 128 | def enableStructureCombo(self): |
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| 129 | self.cbStructureFactor.setEnabled(True) |
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| 130 | self.label_4.setEnabled(True) |
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| 131 | |
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| 132 | def setDefaultStructureCombo(self): |
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| 133 | # Fill in the structure factors combo box with defaults |
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| 134 | structure_factor_list = self.master_category_dict.pop('Structure Factor') |
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| 135 | structure_factors = [] |
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| 136 | self.cbStructureFactor.clear() |
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| 137 | for (structure_factor, _) in structure_factor_list: |
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| 138 | structure_factors.append(structure_factor) |
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| 139 | self.cbStructureFactor.addItems(sorted(structure_factors)) |
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| 140 | |
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[60af928] | 141 | def selectCategory(self): |
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| 142 | """ |
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| 143 | Select Category from list |
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| 144 | :return: |
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| 145 | """ |
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| 146 | category = self.cbCategory.currentText() |
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[6f7f652] | 147 | if category == "Structure Factor": |
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| 148 | self.disableModelCombo() |
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| 149 | self.enableStructureCombo() |
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| 150 | return |
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| 151 | |
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| 152 | self.cbModel.blockSignals(True) |
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| 153 | self.cbModel.clear() |
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| 154 | self.cbModel.blockSignals(False) |
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| 155 | self.enableModelCombo() |
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| 156 | self.disableStructureCombo() |
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| 157 | |
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[60af928] | 158 | model_list = self.master_category_dict[str(category)] |
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[6f7f652] | 159 | models = [] |
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| 160 | for (model, _) in model_list: |
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| 161 | models.append(model) |
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| 162 | self.cbModel.addItems(sorted(models)) |
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[60af928] | 163 | |
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| 164 | def selectModel(self): |
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| 165 | """ |
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| 166 | Select Model from list |
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| 167 | :return: |
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| 168 | """ |
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| 169 | model = self.cbModel.currentText() |
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| 170 | self.setModelModel(model) |
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| 171 | |
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| 172 | def selectStructureFactor(self): |
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| 173 | """ |
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| 174 | Select Structure Factor from list |
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| 175 | :param: |
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| 176 | :return: |
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| 177 | """ |
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[6f7f652] | 178 | model = self.cbStructureFactor.currentText() |
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| 179 | self.setModelModel(model) |
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[60af928] | 180 | |
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| 181 | def _readCategoryInfo(self): |
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| 182 | """ |
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| 183 | Reads the categories in from file |
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| 184 | """ |
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| 185 | self.master_category_dict = defaultdict(list) |
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| 186 | self.by_model_dict = defaultdict(list) |
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| 187 | self.model_enabled_dict = defaultdict(bool) |
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| 188 | |
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| 189 | try: |
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| 190 | categorization_file = CategoryInstaller.get_user_file() |
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| 191 | if not os.path.isfile(categorization_file): |
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| 192 | categorization_file = CategoryInstaller.get_default_file() |
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| 193 | cat_file = open(categorization_file, 'rb') |
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| 194 | self.master_category_dict = json.load(cat_file) |
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| 195 | self._regenerate_model_dict() |
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| 196 | cat_file.close() |
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| 197 | except IOError: |
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| 198 | raise |
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| 199 | print 'Problem reading in category file.' |
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| 200 | print 'We even looked for it, made sure it was there.' |
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| 201 | print 'An existential crisis if there ever was one.' |
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| 202 | |
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| 203 | def _regenerate_model_dict(self): |
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| 204 | """ |
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| 205 | regenerates self.by_model_dict which has each model name as the |
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| 206 | key and the list of categories belonging to that model |
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| 207 | along with the enabled mapping |
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| 208 | """ |
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| 209 | self.by_model_dict = defaultdict(list) |
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| 210 | for category in self.master_category_dict: |
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| 211 | for (model, enabled) in self.master_category_dict[category]: |
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| 212 | self.by_model_dict[model].append(category) |
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| 213 | self.model_enabled_dict[model] = enabled |
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| 214 | |
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[6f7f652] | 215 | def getIterParams(self, model): |
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[f46f6dc] | 216 | """ |
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[6f7f652] | 217 | Returns a list of all multi-shell parameters in 'model' |
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| 218 | """ |
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| 219 | iter_params = list(filter(lambda par: "[" in par.name, model.iq_parameters)) |
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| 220 | |
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| 221 | return iter_params |
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| 222 | |
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| 223 | def getMultiplicity(self, model): |
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| 224 | """ |
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| 225 | Finds out if 'model' has multishell parameters. |
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| 226 | If so, returns the name of the counter parameter and the number of shells |
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[f46f6dc] | 227 | """ |
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| 228 | iter_param = "" |
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| 229 | iter_length = 0 |
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[6f7f652] | 230 | |
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| 231 | iter_params = self.getIterParams(model) |
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| 232 | # pull out the iterator parameter name and length |
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| 233 | if iter_params: |
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| 234 | iter_length = iter_params[0].length |
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| 235 | iter_param = iter_params[0].length_control |
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[f46f6dc] | 236 | return (iter_param, iter_length) |
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[60af928] | 237 | |
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| 238 | def setModelModel(self, model_name): |
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| 239 | """ |
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| 240 | Setting model parameters into table based on selected |
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| 241 | :param model_name: |
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| 242 | :return: |
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| 243 | """ |
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| 244 | # Crete/overwrite model items |
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| 245 | self._model_model.clear() |
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| 246 | model_name = str(model_name) |
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| 247 | kernel_module = generate.load_kernel_module(model_name) |
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| 248 | self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', [])) |
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| 249 | |
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| 250 | #TODO: scaale and background are implicit in sasmodels and needs to be added |
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| 251 | item1 = QtGui.QStandardItem('scale') |
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| 252 | item1.setCheckable(True) |
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| 253 | item2 = QtGui.QStandardItem('1.0') |
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| 254 | item3 = QtGui.QStandardItem('0.0') |
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| 255 | item4 = QtGui.QStandardItem('inf') |
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| 256 | item5 = QtGui.QStandardItem('') |
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| 257 | self._model_model.appendRow([item1, item2, item3, item4, item5]) |
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| 258 | |
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| 259 | item1 = QtGui.QStandardItem('background') |
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| 260 | item1.setCheckable(True) |
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| 261 | item2 = QtGui.QStandardItem('0.001') |
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| 262 | item3 = QtGui.QStandardItem('-inf') |
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| 263 | item4 = QtGui.QStandardItem('inf') |
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| 264 | item5 = QtGui.QStandardItem('1/cm') |
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| 265 | self._model_model.appendRow([item1, item2, item3, item4, item5]) |
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| 266 | |
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[6f7f652] | 267 | multishell_parameters = self.getIterParams(self.model_parameters) |
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| 268 | multishell_param_name, _ = self.getMultiplicity(self.model_parameters) |
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| 269 | |
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[f46f6dc] | 270 | #TODO: iq_parameters are used here. If orientation paramateres or magnetic are needed |
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| 271 | # kernel_paramters should be used instead |
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[60af928] | 272 | #For orientation and magentic parameters param.type needs to be checked |
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| 273 | for param in self.model_parameters.iq_parameters: |
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[f46f6dc] | 274 | # don't include shell parameters |
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| 275 | if param.name == multishell_param_name: |
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| 276 | continue |
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| 277 | # Modify parameter name from <param>[n] to <param>1 |
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| 278 | item_name = param.name |
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[6f7f652] | 279 | if param in multishell_parameters: |
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[f46f6dc] | 280 | item_name = self.replaceShellName(param.name, 1) |
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| 281 | item1 = QtGui.QStandardItem(item_name) |
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[60af928] | 282 | item1.setCheckable(True) |
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| 283 | item2 = QtGui.QStandardItem(str(param.default)) |
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| 284 | item3 = QtGui.QStandardItem(str(param.limits[0])) |
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| 285 | item4 = QtGui.QStandardItem(str(param.limits[1])) |
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| 286 | item5 = QtGui.QStandardItem(param.units) |
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| 287 | self._model_model.appendRow([item1, item2, item3, item4, item5]) |
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| 288 | |
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| 289 | self._model_model.setHeaderData(0, QtCore.Qt.Horizontal, QtCore.QVariant("Parameter")) |
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| 290 | self._model_model.setHeaderData(1, QtCore.Qt.Horizontal, QtCore.QVariant("Value")) |
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| 291 | self._model_model.setHeaderData(2, QtCore.Qt.Horizontal, QtCore.QVariant("Min")) |
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| 292 | self._model_model.setHeaderData(3, QtCore.Qt.Horizontal, QtCore.QVariant("Max")) |
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| 293 | self._model_model.setHeaderData(4, QtCore.Qt.Horizontal, QtCore.QVariant("[Units]")) |
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| 294 | |
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[f46f6dc] | 295 | self.addExtraShells() |
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[60af928] | 296 | |
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| 297 | self.setPolyModel() |
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| 298 | self.setMagneticModel() |
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| 299 | self.model_is_loaded = True |
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| 300 | |
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[f46f6dc] | 301 | def replaceShellName(self, param_name, value): |
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| 302 | """ |
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| 303 | Updates parameter name from <param_name>[n_shell] to <param_name>value |
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| 304 | """ |
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[6f7f652] | 305 | assert('[' in param_name) |
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| 306 | return param_name[:param_name.index('[')]+str(value) |
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[f46f6dc] | 307 | |
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[60af928] | 308 | def setTableProperties(self, table): |
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| 309 | """ |
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| 310 | Setting table properties |
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| 311 | :param table: |
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| 312 | :return: |
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| 313 | """ |
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| 314 | # Table properties |
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| 315 | table.verticalHeader().setVisible(False) |
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| 316 | table.setAlternatingRowColors(True) |
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| 317 | table.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
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| 318 | table.setSelectionBehavior(QtGui.QAbstractItemView.SelectRows) |
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[f46f6dc] | 319 | table.resizeColumnsToContents() |
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| 320 | |
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[60af928] | 321 | # Header |
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| 322 | header = table.horizontalHeader() |
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[f46f6dc] | 323 | header.setResizeMode(QtGui.QHeaderView.ResizeToContents) |
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| 324 | |
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| 325 | header.ResizeMode(QtGui.QHeaderView.Interactive) |
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| 326 | header.setResizeMode(0, QtGui.QHeaderView.ResizeToContents) |
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| 327 | header.setResizeMode(6, QtGui.QHeaderView.ResizeToContents) |
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[60af928] | 328 | |
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| 329 | def setPolyModel(self): |
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| 330 | """ |
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| 331 | Set polydispersity values |
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| 332 | """ |
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| 333 | if self.model_parameters: |
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| 334 | for row, param in enumerate(self.model_parameters.form_volume_parameters): |
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| 335 | item1 = QtGui.QStandardItem("Distribution of "+param.name) |
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| 336 | item1.setCheckable(True) |
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| 337 | item2 = QtGui.QStandardItem("0") |
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| 338 | item3 = QtGui.QStandardItem("") |
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| 339 | item4 = QtGui.QStandardItem("") |
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| 340 | item5 = QtGui.QStandardItem("35") |
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| 341 | item6 = QtGui.QStandardItem("3") |
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| 342 | item7 = QtGui.QStandardItem("") |
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| 343 | |
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| 344 | self._poly_model.appendRow([item1, item2, item3, item4, item5, item6, item7]) |
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| 345 | |
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| 346 | #TODO: Need to find cleaner way to input functions |
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| 347 | func = QtGui.QComboBox() |
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| 348 | func.addItems(['rectangle','array','lognormal','gaussian','schulz',]) |
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| 349 | func_index = self.lstPoly.model().index(row,6) |
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| 350 | self.lstPoly.setIndexWidget(func_index,func) |
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| 351 | |
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| 352 | self._poly_model.setHeaderData(0, QtCore.Qt.Horizontal, QtCore.QVariant("Parameter")) |
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| 353 | self._poly_model.setHeaderData(1, QtCore.Qt.Horizontal, QtCore.QVariant("PD[ratio]")) |
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| 354 | self._poly_model.setHeaderData(2, QtCore.Qt.Horizontal, QtCore.QVariant("Min")) |
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| 355 | self._poly_model.setHeaderData(3, QtCore.Qt.Horizontal, QtCore.QVariant("Max")) |
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| 356 | self._poly_model.setHeaderData(4, QtCore.Qt.Horizontal, QtCore.QVariant("Npts")) |
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| 357 | self._poly_model.setHeaderData(5, QtCore.Qt.Horizontal, QtCore.QVariant("Nsigs")) |
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| 358 | self._poly_model.setHeaderData(6, QtCore.Qt.Horizontal, QtCore.QVariant("Function")) |
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| 359 | |
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| 360 | def setMagneticModel(self): |
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| 361 | """ |
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| 362 | Set magnetism values on model |
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| 363 | """ |
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| 364 | if self.model_parameters: |
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| 365 | for row, param in enumerate(self.model_parameters.form_volume_parameters): |
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| 366 | item1 = QtGui.QStandardItem("Distribution of "+param.name) |
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| 367 | item1.setCheckable(True) |
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| 368 | item2 = QtGui.QStandardItem("0") |
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| 369 | item3 = QtGui.QStandardItem("") |
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| 370 | item4 = QtGui.QStandardItem("") |
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| 371 | item5 = QtGui.QStandardItem("35") |
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| 372 | item6 = QtGui.QStandardItem("3") |
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| 373 | item7 = QtGui.QStandardItem("") |
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| 374 | |
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| 375 | self._magnet_model.appendRow([item1, item2, item3, item4, item5, item6, item7]) |
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| 376 | |
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| 377 | #TODO: Need to find cleaner way to input functions |
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| 378 | func = QtGui.QComboBox() |
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| 379 | func.addItems(['rectangle','array','lognormal','gaussian','schulz',]) |
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| 380 | func_index = self.lstMagnetic.model().index(row,6) |
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| 381 | self.lstMagnetic.setIndexWidget(func_index,func) |
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| 382 | |
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| 383 | self._magnet_model.setHeaderData(0, QtCore.Qt.Horizontal, QtCore.QVariant("Parameter")) |
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| 384 | self._magnet_model.setHeaderData(1, QtCore.Qt.Horizontal, QtCore.QVariant("PD[ratio]")) |
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| 385 | self._magnet_model.setHeaderData(2, QtCore.Qt.Horizontal, QtCore.QVariant("Min")) |
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| 386 | self._magnet_model.setHeaderData(3, QtCore.Qt.Horizontal, QtCore.QVariant("Max")) |
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| 387 | self._magnet_model.setHeaderData(4, QtCore.Qt.Horizontal, QtCore.QVariant("Npts")) |
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| 388 | self._magnet_model.setHeaderData(5, QtCore.Qt.Horizontal, QtCore.QVariant("Nsigs")) |
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| 389 | self._magnet_model.setHeaderData(6, QtCore.Qt.Horizontal, QtCore.QVariant("Function")) |
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| 390 | |
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| 391 | def addExtraShells(self): |
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| 392 | """ |
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[f46f6dc] | 393 | Add a combobox for multiple shell display |
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[60af928] | 394 | """ |
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[6f7f652] | 395 | param_name, param_length = self.getMultiplicity(self.model_parameters) |
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[f46f6dc] | 396 | |
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| 397 | if param_length == 0: |
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| 398 | return |
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| 399 | |
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[6f7f652] | 400 | # cell 1: variable name |
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[f46f6dc] | 401 | item1 = QtGui.QStandardItem(param_name) |
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| 402 | |
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[60af928] | 403 | func = QtGui.QComboBox() |
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[f46f6dc] | 404 | func.addItems([str(i+1) for i in xrange(param_length)]) |
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[60af928] | 405 | |
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[6f7f652] | 406 | # cell 2: combobox |
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[f46f6dc] | 407 | item2 = QtGui.QStandardItem() |
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| 408 | self._model_model.appendRow([item1, item2]) |
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[60af928] | 409 | |
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[6f7f652] | 410 | # Beautify the row: span columns 2-4 |
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[60af928] | 411 | shell_row = self._model_model.rowCount() |
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[f46f6dc] | 412 | shell_index = self._model_model.index(shell_row-1, 1) |
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[60af928] | 413 | self.lstParams.setIndexWidget(shell_index, func) |
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[f46f6dc] | 414 | self.lstParams.setSpan(shell_row-1,2,2,4) |
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[60af928] | 415 | |
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| 416 | def togglePoly(self, isChecked): |
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| 417 | """ |
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[6f7f652] | 418 | Enable/disable the polydispersity tab |
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[60af928] | 419 | """ |
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| 420 | self.tabFitting.setTabEnabled(TAB_POLY, isChecked) |
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| 421 | |
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| 422 | def toggleMagnetism(self, isChecked): |
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| 423 | """ |
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[6f7f652] | 424 | Enable/disable the magnetism tab |
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[60af928] | 425 | """ |
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| 426 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked) |
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| 427 | |
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| 428 | def toggle2D(self, isChecked): |
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| 429 | """ |
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[6f7f652] | 430 | Enable/disable the controls dependent on 1D/2D data instance |
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[60af928] | 431 | """ |
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| 432 | self.chkMagnetism.setEnabled(isChecked) |
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| 433 | self.is2D = isChecked |
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| 434 | |
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