[60af928] | 1 | import sys |
---|
| 2 | import json |
---|
[cd31251] | 3 | import os |
---|
[5236449] | 4 | import numpy |
---|
[60af928] | 5 | from collections import defaultdict |
---|
[454670d] | 6 | from itertools import izip |
---|
[60af928] | 7 | |
---|
[5236449] | 8 | import logging |
---|
| 9 | import traceback |
---|
[cbcdd2c] | 10 | from twisted.internet import threads |
---|
[5236449] | 11 | |
---|
[60af928] | 12 | from PyQt4 import QtGui |
---|
| 13 | from PyQt4 import QtCore |
---|
| 14 | |
---|
| 15 | from sasmodels import generate |
---|
| 16 | from sasmodels import modelinfo |
---|
[5236449] | 17 | from sasmodels.sasview_model import load_standard_models |
---|
[f182f93] | 18 | from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit |
---|
| 19 | from sas.sasgui.perspectives.fitting.fit_thread import FitThread |
---|
[5236449] | 20 | |
---|
[60af928] | 21 | from sas.sasgui.guiframe.CategoryInstaller import CategoryInstaller |
---|
[5236449] | 22 | from sas.sasgui.guiframe.dataFitting import Data1D |
---|
| 23 | from sas.sasgui.guiframe.dataFitting import Data2D |
---|
| 24 | import sas.qtgui.GuiUtils as GuiUtils |
---|
| 25 | from sas.sasgui.perspectives.fitting.model_thread import Calc1D |
---|
[cbcdd2c] | 26 | from sas.sasgui.perspectives.fitting.model_thread import Calc2D |
---|
[5236449] | 27 | |
---|
| 28 | from UI.FittingWidgetUI import Ui_FittingWidgetUI |
---|
[4d457df] | 29 | from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic |
---|
| 30 | from sas.qtgui.Perspectives.Fitting import FittingUtilities |
---|
[60af928] | 31 | |
---|
| 32 | TAB_MAGNETISM = 4 |
---|
| 33 | TAB_POLY = 3 |
---|
[cbcdd2c] | 34 | CATEGORY_DEFAULT = "Choose category..." |
---|
[4d457df] | 35 | CATEGORY_STRUCTURE = "Structure Factor" |
---|
[351b53e] | 36 | STRUCTURE_DEFAULT = "None" |
---|
[cbcdd2c] | 37 | QMIN_DEFAULT = 0.0005 |
---|
| 38 | QMAX_DEFAULT = 0.5 |
---|
| 39 | NPTS_DEFAULT = 50 |
---|
[60af928] | 40 | |
---|
| 41 | class FittingWidget(QtGui.QWidget, Ui_FittingWidgetUI): |
---|
| 42 | """ |
---|
[f46f6dc] | 43 | Main widget for selecting form and structure factor models |
---|
[60af928] | 44 | """ |
---|
[811bec1] | 45 | def __init__(self, parent=None, data=None, id=1): |
---|
[60af928] | 46 | |
---|
| 47 | super(FittingWidget, self).__init__() |
---|
| 48 | |
---|
[86f88d1] | 49 | # Necessary globals |
---|
[cbcdd2c] | 50 | self.parent = parent |
---|
| 51 | # SasModel is loaded |
---|
[60af928] | 52 | self.model_is_loaded = False |
---|
[cbcdd2c] | 53 | # Data[12]D passed and set |
---|
[5236449] | 54 | self.data_is_loaded = False |
---|
[cbcdd2c] | 55 | # Current SasModel in view |
---|
[5236449] | 56 | self.kernel_module = None |
---|
[cbcdd2c] | 57 | # Current SasModel view dimension |
---|
[60af928] | 58 | self.is2D = False |
---|
[cbcdd2c] | 59 | # Current SasModel is multishell |
---|
[86f88d1] | 60 | self.model_has_shells = False |
---|
[cbcdd2c] | 61 | # Utility variable to enable unselectable option in category combobox |
---|
[86f88d1] | 62 | self._previous_category_index = 0 |
---|
[cbcdd2c] | 63 | # Utility variable for multishell display |
---|
[86f88d1] | 64 | self._last_model_row = 0 |
---|
[cbcdd2c] | 65 | # Dictionary of {model name: model class} for the current category |
---|
[5236449] | 66 | self.models = {} |
---|
[f182f93] | 67 | # Parameters to fit |
---|
| 68 | self.parameters_to_fit = None |
---|
[5236449] | 69 | |
---|
| 70 | # Which tab is this widget displayed in? |
---|
| 71 | self.tab_id = id |
---|
| 72 | |
---|
[a9b568c] | 73 | # Which shell is being currently displayed? |
---|
| 74 | self.current_shell_displayed = 0 |
---|
[f182f93] | 75 | self.has_error_column = False |
---|
[a9b568c] | 76 | |
---|
[811bec1] | 77 | # Range parameters |
---|
[cbcdd2c] | 78 | self.q_range_min = QMIN_DEFAULT |
---|
| 79 | self.q_range_max = QMAX_DEFAULT |
---|
| 80 | self.npts = NPTS_DEFAULT |
---|
[811bec1] | 81 | |
---|
[cbcdd2c] | 82 | # Main Data[12]D holder |
---|
[4d457df] | 83 | self.logic = FittingLogic(data=data) |
---|
[60af928] | 84 | |
---|
[86f88d1] | 85 | # Main GUI setup up |
---|
[60af928] | 86 | self.setupUi(self) |
---|
| 87 | self.setWindowTitle("Fitting") |
---|
[cbcdd2c] | 88 | self.communicate = self.parent.communicate |
---|
[60af928] | 89 | |
---|
[b1e36a3] | 90 | # Define bold font for use in various controls |
---|
[a0f5c36] | 91 | self.boldFont=QtGui.QFont() |
---|
| 92 | self.boldFont.setBold(True) |
---|
| 93 | |
---|
| 94 | # Set data label |
---|
[b1e36a3] | 95 | self.label.setFont(self.boldFont) |
---|
| 96 | self.label.setText("No data loaded") |
---|
| 97 | self.lblFilename.setText("") |
---|
| 98 | |
---|
[86f88d1] | 99 | # Set the main models |
---|
[cd31251] | 100 | # We can't use a single model here, due to restrictions on flattening |
---|
| 101 | # the model tree with subclassed QAbstractProxyModel... |
---|
[60af928] | 102 | self._model_model = QtGui.QStandardItemModel() |
---|
| 103 | self._poly_model = QtGui.QStandardItemModel() |
---|
| 104 | self._magnet_model = QtGui.QStandardItemModel() |
---|
| 105 | |
---|
| 106 | # Param model displayed in param list |
---|
| 107 | self.lstParams.setModel(self._model_model) |
---|
[5236449] | 108 | self.readCategoryInfo() |
---|
[60af928] | 109 | self.model_parameters = None |
---|
[86f88d1] | 110 | self.lstParams.setAlternatingRowColors(True) |
---|
[60af928] | 111 | |
---|
| 112 | # Poly model displayed in poly list |
---|
[811bec1] | 113 | self.lstPoly.setModel(self._poly_model) |
---|
[60af928] | 114 | self.setPolyModel() |
---|
| 115 | self.setTableProperties(self.lstPoly) |
---|
| 116 | |
---|
| 117 | # Magnetism model displayed in magnetism list |
---|
| 118 | self.lstMagnetic.setModel(self._magnet_model) |
---|
| 119 | self.setMagneticModel() |
---|
| 120 | self.setTableProperties(self.lstMagnetic) |
---|
| 121 | |
---|
[5236449] | 122 | # Defaults for the structure factors |
---|
[6f7f652] | 123 | self.setDefaultStructureCombo() |
---|
| 124 | |
---|
[5236449] | 125 | # Make structure factor and model CBs disabled |
---|
[6f7f652] | 126 | self.disableModelCombo() |
---|
| 127 | self.disableStructureCombo() |
---|
[60af928] | 128 | |
---|
[6f7f652] | 129 | # Generate the category list for display |
---|
[60af928] | 130 | category_list = sorted(self.master_category_dict.keys()) |
---|
[86f88d1] | 131 | self.cbCategory.addItem(CATEGORY_DEFAULT) |
---|
[60af928] | 132 | self.cbCategory.addItems(category_list) |
---|
[4d457df] | 133 | self.cbCategory.addItem(CATEGORY_STRUCTURE) |
---|
[6f7f652] | 134 | self.cbCategory.setCurrentIndex(0) |
---|
[60af928] | 135 | |
---|
[86f88d1] | 136 | # Connect signals to controls |
---|
| 137 | self.initializeSignals() |
---|
[60af928] | 138 | |
---|
[86f88d1] | 139 | # Initial control state |
---|
| 140 | self.initializeControls() |
---|
[60af928] | 141 | |
---|
[454670d] | 142 | self._index = None |
---|
| 143 | if data is not None: |
---|
| 144 | self.data = data |
---|
| 145 | # Update Q Ranges |
---|
| 146 | #self.updateQRange() |
---|
| 147 | |
---|
[60af928] | 148 | @property |
---|
| 149 | def data(self): |
---|
[4d457df] | 150 | return self.logic.data |
---|
[60af928] | 151 | |
---|
| 152 | @data.setter |
---|
| 153 | def data(self, value): |
---|
| 154 | """ data setter """ |
---|
[454670d] | 155 | assert isinstance(value, QtGui.QStandardItem) |
---|
[cbcdd2c] | 156 | # _index contains the QIndex with data |
---|
[454670d] | 157 | self._index = value |
---|
[b1e36a3] | 158 | |
---|
[4d457df] | 159 | # Update logics with data items |
---|
[454670d] | 160 | self.logic.data = GuiUtils.dataFromItem(value) |
---|
[4d457df] | 161 | |
---|
[5236449] | 162 | self.data_is_loaded = True |
---|
[cbcdd2c] | 163 | # Tag along functionality |
---|
[b1e36a3] | 164 | self.label.setText("Data loaded from: ") |
---|
[a0f5c36] | 165 | self.lblFilename.setText(self.logic.data.filename) |
---|
[5236449] | 166 | self.updateQRange() |
---|
| 167 | self.cmdFit.setEnabled(True) |
---|
[454670d] | 168 | print "set to ", self.cmdFit.isEnabled() |
---|
[60af928] | 169 | |
---|
[f46f6dc] | 170 | def acceptsData(self): |
---|
| 171 | """ Tells the caller this widget can accept new dataset """ |
---|
[5236449] | 172 | return not self.data_is_loaded |
---|
[f46f6dc] | 173 | |
---|
[6f7f652] | 174 | def disableModelCombo(self): |
---|
[cbcdd2c] | 175 | """ Disable the combobox """ |
---|
[6f7f652] | 176 | self.cbModel.setEnabled(False) |
---|
[b1e36a3] | 177 | self.lblModel.setEnabled(False) |
---|
[6f7f652] | 178 | |
---|
| 179 | def enableModelCombo(self): |
---|
[cbcdd2c] | 180 | """ Enable the combobox """ |
---|
[6f7f652] | 181 | self.cbModel.setEnabled(True) |
---|
[b1e36a3] | 182 | self.lblModel.setEnabled(True) |
---|
[6f7f652] | 183 | |
---|
| 184 | def disableStructureCombo(self): |
---|
[cbcdd2c] | 185 | """ Disable the combobox """ |
---|
[6f7f652] | 186 | self.cbStructureFactor.setEnabled(False) |
---|
[b1e36a3] | 187 | self.lblStructure.setEnabled(False) |
---|
[6f7f652] | 188 | |
---|
| 189 | def enableStructureCombo(self): |
---|
[cbcdd2c] | 190 | """ Enable the combobox """ |
---|
[6f7f652] | 191 | self.cbStructureFactor.setEnabled(True) |
---|
[b1e36a3] | 192 | self.lblStructure.setEnabled(True) |
---|
[6f7f652] | 193 | |
---|
[0268aed] | 194 | def togglePoly(self, isChecked): |
---|
[454670d] | 195 | """ Enable/disable the polydispersity tab """ |
---|
[0268aed] | 196 | self.tabFitting.setTabEnabled(TAB_POLY, isChecked) |
---|
| 197 | |
---|
| 198 | def toggleMagnetism(self, isChecked): |
---|
[454670d] | 199 | """ Enable/disable the magnetism tab """ |
---|
[0268aed] | 200 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked) |
---|
| 201 | |
---|
| 202 | def toggle2D(self, isChecked): |
---|
[454670d] | 203 | """ Enable/disable the controls dependent on 1D/2D data instance """ |
---|
[0268aed] | 204 | self.chkMagnetism.setEnabled(isChecked) |
---|
| 205 | self.is2D = isChecked |
---|
[5236449] | 206 | |
---|
[86f88d1] | 207 | def initializeControls(self): |
---|
| 208 | """ |
---|
| 209 | Set initial control enablement |
---|
| 210 | """ |
---|
| 211 | self.cmdFit.setEnabled(False) |
---|
| 212 | self.cmdPlot.setEnabled(True) |
---|
| 213 | self.chkPolydispersity.setEnabled(True) |
---|
| 214 | self.chkPolydispersity.setCheckState(False) |
---|
| 215 | self.chk2DView.setEnabled(True) |
---|
| 216 | self.chk2DView.setCheckState(False) |
---|
| 217 | self.chkMagnetism.setEnabled(False) |
---|
| 218 | self.chkMagnetism.setCheckState(False) |
---|
[cbcdd2c] | 219 | # Tabs |
---|
[86f88d1] | 220 | self.tabFitting.setTabEnabled(TAB_POLY, False) |
---|
| 221 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, False) |
---|
| 222 | self.lblChi2Value.setText("---") |
---|
| 223 | |
---|
| 224 | def initializeSignals(self): |
---|
| 225 | """ |
---|
| 226 | Connect GUI element signals |
---|
| 227 | """ |
---|
[cbcdd2c] | 228 | # Comboboxes |
---|
[cd31251] | 229 | self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor) |
---|
| 230 | self.cbCategory.currentIndexChanged.connect(self.onSelectCategory) |
---|
| 231 | self.cbModel.currentIndexChanged.connect(self.onSelectModel) |
---|
[cbcdd2c] | 232 | # Checkboxes |
---|
[86f88d1] | 233 | self.chk2DView.toggled.connect(self.toggle2D) |
---|
| 234 | self.chkPolydispersity.toggled.connect(self.togglePoly) |
---|
| 235 | self.chkMagnetism.toggled.connect(self.toggleMagnetism) |
---|
[cbcdd2c] | 236 | # Buttons |
---|
[5236449] | 237 | self.cmdFit.clicked.connect(self.onFit) |
---|
[cbcdd2c] | 238 | self.cmdPlot.clicked.connect(self.onPlot) |
---|
| 239 | # Line edits |
---|
[9f25bce] | 240 | self.txtNpts.editingFinished.connect(self.onNpts) |
---|
| 241 | self.txtMinRange.editingFinished.connect(self.onMinRange) |
---|
| 242 | self.txtMaxRange.editingFinished.connect(self.onMaxRange) |
---|
[cbcdd2c] | 243 | |
---|
| 244 | # Respond to change in parameters from the UI |
---|
| 245 | self._model_model.itemChanged.connect(self.updateParamsFromModel) |
---|
[cd31251] | 246 | self._poly_model.itemChanged.connect(self.onPolyModelChange) |
---|
| 247 | # TODO after the poly_model prototype accepted |
---|
| 248 | #self._magnet_model.itemChanged.connect(self.onMagneticModelChange) |
---|
[86f88d1] | 249 | |
---|
[0268aed] | 250 | def onSelectModel(self): |
---|
[cbcdd2c] | 251 | """ |
---|
[0268aed] | 252 | Respond to select Model from list event |
---|
[cbcdd2c] | 253 | """ |
---|
[0268aed] | 254 | model = str(self.cbModel.currentText()) |
---|
| 255 | |
---|
| 256 | # Reset structure factor |
---|
| 257 | self.cbStructureFactor.setCurrentIndex(0) |
---|
| 258 | |
---|
[f182f93] | 259 | # Reset parameters to fit |
---|
| 260 | self.parameters_to_fit = None |
---|
| 261 | |
---|
[0268aed] | 262 | # SasModel -> QModel |
---|
| 263 | self.SASModelToQModel(model) |
---|
| 264 | |
---|
| 265 | if self.data_is_loaded: |
---|
| 266 | self.calculateQGridForModel() |
---|
| 267 | else: |
---|
| 268 | # Create default datasets if no data passed |
---|
| 269 | self.createDefaultDataset() |
---|
| 270 | |
---|
| 271 | def onSelectStructureFactor(self): |
---|
| 272 | """ |
---|
| 273 | Select Structure Factor from list |
---|
| 274 | """ |
---|
| 275 | model = str(self.cbModel.currentText()) |
---|
| 276 | category = str(self.cbCategory.currentText()) |
---|
| 277 | structure = str(self.cbStructureFactor.currentText()) |
---|
| 278 | if category == CATEGORY_STRUCTURE: |
---|
| 279 | model = None |
---|
| 280 | self.SASModelToQModel(model, structure_factor=structure) |
---|
[6f7f652] | 281 | |
---|
[cd31251] | 282 | def onSelectCategory(self): |
---|
[60af928] | 283 | """ |
---|
| 284 | Select Category from list |
---|
| 285 | """ |
---|
[4d457df] | 286 | category = str(self.cbCategory.currentText()) |
---|
[86f88d1] | 287 | # Check if the user chose "Choose category entry" |
---|
[4d457df] | 288 | if category == CATEGORY_DEFAULT: |
---|
[86f88d1] | 289 | # if the previous category was not the default, keep it. |
---|
| 290 | # Otherwise, just return |
---|
| 291 | if self._previous_category_index != 0: |
---|
[351b53e] | 292 | # We need to block signals, or else state changes on perceived unchanged conditions |
---|
| 293 | self.cbCategory.blockSignals(True) |
---|
[86f88d1] | 294 | self.cbCategory.setCurrentIndex(self._previous_category_index) |
---|
[351b53e] | 295 | self.cbCategory.blockSignals(False) |
---|
[86f88d1] | 296 | return |
---|
| 297 | |
---|
[4d457df] | 298 | if category == CATEGORY_STRUCTURE: |
---|
[6f7f652] | 299 | self.disableModelCombo() |
---|
| 300 | self.enableStructureCombo() |
---|
[29eb947] | 301 | self._model_model.clear() |
---|
[6f7f652] | 302 | return |
---|
| 303 | |
---|
[cbcdd2c] | 304 | # Safely clear and enable the model combo |
---|
[6f7f652] | 305 | self.cbModel.blockSignals(True) |
---|
| 306 | self.cbModel.clear() |
---|
| 307 | self.cbModel.blockSignals(False) |
---|
| 308 | self.enableModelCombo() |
---|
| 309 | self.disableStructureCombo() |
---|
| 310 | |
---|
[86f88d1] | 311 | self._previous_category_index = self.cbCategory.currentIndex() |
---|
[cbcdd2c] | 312 | # Retrieve the list of models |
---|
[4d457df] | 313 | model_list = self.master_category_dict[category] |
---|
[6f7f652] | 314 | models = [] |
---|
[cbcdd2c] | 315 | # Populate the models combobox |
---|
[b1e36a3] | 316 | self.cbModel.addItems(sorted([model for (model, _) in model_list])) |
---|
[4d457df] | 317 | |
---|
[0268aed] | 318 | def onPolyModelChange(self, item): |
---|
| 319 | """ |
---|
| 320 | Callback method for updating the main model and sasmodel |
---|
| 321 | parameters with the GUI values in the polydispersity view |
---|
| 322 | """ |
---|
| 323 | model_column = item.column() |
---|
| 324 | model_row = item.row() |
---|
| 325 | name_index = self._poly_model.index(model_row, 0) |
---|
| 326 | # Extract changed value. Assumes proper validation by QValidator/Delegate |
---|
| 327 | # Checkbox in column 0 |
---|
| 328 | if model_column == 0: |
---|
| 329 | value = item.checkState() |
---|
| 330 | else: |
---|
| 331 | try: |
---|
| 332 | value = float(item.text()) |
---|
| 333 | except ValueError: |
---|
| 334 | # Can't be converted properly, bring back the old value and exit |
---|
| 335 | return |
---|
| 336 | |
---|
| 337 | parameter_name = str(self._poly_model.data(name_index).toPyObject()) # "distribution of sld" etc. |
---|
| 338 | if "Distribution of" in parameter_name: |
---|
| 339 | parameter_name = parameter_name[16:] |
---|
| 340 | property_name = str(self._poly_model.headerData(model_column, 1).toPyObject()) # Value, min, max, etc. |
---|
| 341 | # print "%s(%s) => %d" % (parameter_name, property_name, value) |
---|
| 342 | |
---|
| 343 | # Update the sasmodel |
---|
| 344 | #self.kernel_module.params[parameter_name] = value |
---|
| 345 | |
---|
| 346 | # Reload the main model - may not be required if no variable is shown in main view |
---|
| 347 | #model = str(self.cbModel.currentText()) |
---|
| 348 | #self.SASModelToQModel(model) |
---|
| 349 | |
---|
| 350 | pass # debug anchor |
---|
| 351 | |
---|
| 352 | def onFit(self): |
---|
| 353 | """ |
---|
| 354 | Perform fitting on the current data |
---|
| 355 | """ |
---|
[f182f93] | 356 | fitter = Fit() |
---|
| 357 | |
---|
| 358 | # Data going in |
---|
| 359 | data = self.logic.data |
---|
| 360 | model = self.kernel_module |
---|
| 361 | qmin = self.q_range_min |
---|
| 362 | qmax = self.q_range_max |
---|
| 363 | params_to_fit = self.parameters_to_fit |
---|
| 364 | |
---|
| 365 | # These should be updating somehow? |
---|
| 366 | fit_id = 0 |
---|
| 367 | constraints = [] |
---|
| 368 | smearer = None |
---|
| 369 | page_id = [210] |
---|
| 370 | handler = None |
---|
| 371 | batch_inputs = {} |
---|
| 372 | batch_outputs = {} |
---|
| 373 | list_page_id = [page_id] |
---|
| 374 | #--------------------------------- |
---|
| 375 | |
---|
| 376 | # Parameterize the fitter |
---|
| 377 | fitter.set_model(model, fit_id, params_to_fit, data=data, |
---|
| 378 | constraints=constraints) |
---|
| 379 | fitter.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin, |
---|
| 380 | qmax=qmax) |
---|
| 381 | fitter.select_problem_for_fit(id=fit_id, value=1) |
---|
| 382 | |
---|
| 383 | fitter.fitter_id = page_id |
---|
| 384 | |
---|
| 385 | # Create the fitting thread, based on the fitter |
---|
| 386 | calc_fit = FitThread(handler=handler, |
---|
| 387 | fn=[fitter], |
---|
| 388 | batch_inputs=batch_inputs, |
---|
| 389 | batch_outputs=batch_outputs, |
---|
| 390 | page_id=list_page_id, |
---|
| 391 | updatefn=self.updateFit, |
---|
| 392 | completefn=None) |
---|
| 393 | |
---|
| 394 | # start the trhrhread |
---|
| 395 | calc_thread = threads.deferToThread(calc_fit.compute) |
---|
| 396 | calc_thread.addCallback(self.fitComplete) |
---|
| 397 | |
---|
| 398 | #disable the Fit button |
---|
| 399 | self.cmdFit.setText("Calculating...") |
---|
| 400 | self.cmdFit.setEnabled(False) |
---|
[0268aed] | 401 | |
---|
[f182f93] | 402 | def updateFit(self): |
---|
| 403 | """ |
---|
| 404 | """ |
---|
| 405 | print "UPDATE FIT" |
---|
[0268aed] | 406 | pass |
---|
| 407 | |
---|
[f182f93] | 408 | def fitComplete(self, result): |
---|
| 409 | """ |
---|
| 410 | Receive and display fitting results |
---|
| 411 | "result" is a tuple of actual result list and the fit time in seconds |
---|
| 412 | """ |
---|
| 413 | #re-enable the Fit button |
---|
| 414 | self.cmdFit.setText("Fit") |
---|
| 415 | self.cmdFit.setEnabled(True) |
---|
| 416 | res_list = result[0] |
---|
| 417 | res = res_list[0] |
---|
| 418 | if res.fitness is None or \ |
---|
| 419 | not numpy.isfinite(res.fitness) or \ |
---|
| 420 | numpy.any(res.pvec == None) or \ |
---|
| 421 | not numpy.all(numpy.isfinite(res.pvec)): |
---|
| 422 | msg = "Fitting did not converge!!!" |
---|
[454670d] | 423 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
[f182f93] | 424 | logging.error(msg) |
---|
| 425 | return |
---|
| 426 | |
---|
| 427 | elapsed = result[1] |
---|
| 428 | msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed) |
---|
| 429 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
| 430 | |
---|
| 431 | fitness = res.fitness |
---|
| 432 | param_list = res.param_list |
---|
| 433 | param_values = res.pvec |
---|
| 434 | param_stderr = res.stderr |
---|
| 435 | params_and_errors = zip(param_values, param_stderr) |
---|
| 436 | param_dict = dict(izip(param_list, params_and_errors)) |
---|
| 437 | |
---|
| 438 | # Dictionary of fitted parameter: value, error |
---|
| 439 | # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)} |
---|
| 440 | self.updateModelFromList(param_dict) |
---|
| 441 | |
---|
| 442 | # Read only value - we can get away by just printing it here |
---|
| 443 | chi2_repr = GuiUtils.formatNumber(fitness, high=True) |
---|
| 444 | self.lblChi2Value.setText(chi2_repr) |
---|
| 445 | |
---|
[454670d] | 446 | # Generate charts |
---|
[f182f93] | 447 | |
---|
| 448 | def iterateOverModel(self, func): |
---|
| 449 | """ |
---|
| 450 | Take func and throw it inside the model row loop |
---|
| 451 | """ |
---|
| 452 | #assert isinstance(func, function) |
---|
| 453 | for row_i in xrange(self._model_model.rowCount()): |
---|
| 454 | func(row_i) |
---|
| 455 | |
---|
| 456 | def updateModelFromList(self, param_dict): |
---|
| 457 | """ |
---|
| 458 | Update the model with new parameters, create the errors column |
---|
| 459 | """ |
---|
| 460 | assert isinstance(param_dict, dict) |
---|
| 461 | if not dict: |
---|
| 462 | return |
---|
| 463 | |
---|
| 464 | def updateValues(row_i): |
---|
| 465 | # Utility function for main model update |
---|
| 466 | param_name = str(self._model_model.item(row_i, 0).text()) |
---|
| 467 | if param_name not in param_dict.keys(): |
---|
| 468 | return |
---|
| 469 | # modify the param value |
---|
[454670d] | 470 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
| 471 | self._model_model.item(row_i, 1).setText(param_repr) |
---|
[f182f93] | 472 | if self.has_error_column: |
---|
[454670d] | 473 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
| 474 | self._model_model.item(row_i, 2).setText(error_repr) |
---|
[f182f93] | 475 | |
---|
| 476 | def createColumn(row_i): |
---|
| 477 | # Utility function for error column update |
---|
| 478 | item = QtGui.QStandardItem() |
---|
| 479 | for param_name in param_dict.keys(): |
---|
| 480 | if str(self._model_model.item(row_i, 0).text()) != param_name: |
---|
| 481 | continue |
---|
| 482 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
| 483 | item.setText(error_repr) |
---|
| 484 | error_column.append(item) |
---|
| 485 | |
---|
| 486 | self.iterateOverModel(updateValues) |
---|
| 487 | |
---|
| 488 | if self.has_error_column: |
---|
| 489 | return |
---|
| 490 | |
---|
| 491 | error_column = [] |
---|
| 492 | self.iterateOverModel(createColumn) |
---|
| 493 | |
---|
| 494 | self.has_error_column = True |
---|
| 495 | self._model_model.insertColumn(2, error_column) |
---|
| 496 | FittingUtilities.addErrorHeadersToModel(self._model_model) |
---|
| 497 | |
---|
[0268aed] | 498 | def onPlot(self): |
---|
| 499 | """ |
---|
| 500 | Plot the current set of data |
---|
| 501 | """ |
---|
[9f25bce] | 502 | if self.data is None : |
---|
[0268aed] | 503 | self.createDefaultDataset() |
---|
| 504 | self.calculateQGridForModel() |
---|
| 505 | |
---|
[9f25bce] | 506 | def onNpts(self): |
---|
[0268aed] | 507 | """ |
---|
| 508 | Callback for number of points line edit update |
---|
| 509 | """ |
---|
| 510 | # assumes type/value correctness achieved with QValidator |
---|
| 511 | try: |
---|
[9f25bce] | 512 | self.npts = int(self.txtNpts.text()) |
---|
[0268aed] | 513 | except ValueError: |
---|
| 514 | # TODO |
---|
| 515 | # This will return the old value to model/view and return |
---|
| 516 | # notifying the user about format available. |
---|
| 517 | pass |
---|
[9f25bce] | 518 | # Force redisplay |
---|
| 519 | if self.model_is_loaded: |
---|
| 520 | self.onPlot() |
---|
[0268aed] | 521 | |
---|
[9f25bce] | 522 | def onMinRange(self): |
---|
[0268aed] | 523 | """ |
---|
| 524 | Callback for minimum range of points line edit update |
---|
| 525 | """ |
---|
| 526 | # assumes type/value correctness achieved with QValidator |
---|
| 527 | try: |
---|
[9f25bce] | 528 | self.q_range_min = float(self.txtMinRange.text()) |
---|
[0268aed] | 529 | except ValueError: |
---|
| 530 | # TODO |
---|
| 531 | # This will return the old value to model/view and return |
---|
| 532 | # notifying the user about format available. |
---|
| 533 | return |
---|
| 534 | # set Q range labels on the main tab |
---|
| 535 | self.lblMinRangeDef.setText(str(self.q_range_min)) |
---|
[9f25bce] | 536 | if self.model_is_loaded: |
---|
| 537 | self.onPlot() |
---|
[0268aed] | 538 | |
---|
[9f25bce] | 539 | def onMaxRange(self): |
---|
[0268aed] | 540 | """ |
---|
| 541 | Callback for maximum range of points line edit update |
---|
| 542 | """ |
---|
| 543 | # assumes type/value correctness achieved with QValidator |
---|
| 544 | try: |
---|
[9f25bce] | 545 | self.q_range_max = float(self.txtMaxRange.text()) |
---|
[0268aed] | 546 | except: |
---|
| 547 | pass |
---|
| 548 | # set Q range labels on the main tab |
---|
| 549 | self.lblMaxRangeDef.setText(str(self.q_range_max)) |
---|
[9f25bce] | 550 | if self.model_is_loaded: |
---|
| 551 | self.onPlot() |
---|
[0268aed] | 552 | |
---|
| 553 | def setDefaultStructureCombo(self): |
---|
| 554 | """ |
---|
| 555 | Fill in the structure factors combo box with defaults |
---|
| 556 | """ |
---|
| 557 | structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE) |
---|
| 558 | factors = [factor[0] for factor in structure_factor_list] |
---|
| 559 | factors.insert(0, STRUCTURE_DEFAULT) |
---|
| 560 | self.cbStructureFactor.clear() |
---|
| 561 | self.cbStructureFactor.addItems(sorted(factors)) |
---|
| 562 | |
---|
[4d457df] | 563 | def createDefaultDataset(self): |
---|
| 564 | """ |
---|
| 565 | Generate default Dataset 1D/2D for the given model |
---|
| 566 | """ |
---|
| 567 | # Create default datasets if no data passed |
---|
| 568 | if self.is2D: |
---|
| 569 | qmax = self.q_range_max/numpy.sqrt(2) |
---|
| 570 | qstep = self.npts |
---|
| 571 | self.logic.createDefault2dData(qmax, qstep, self.tab_id) |
---|
| 572 | else: |
---|
| 573 | interval = numpy.linspace(start=self.q_range_min, stop=self.q_range_max, |
---|
| 574 | num=self.npts, endpoint=True) |
---|
| 575 | self.logic.createDefault1dData(interval, self.tab_id) |
---|
[60af928] | 576 | |
---|
[5236449] | 577 | def readCategoryInfo(self): |
---|
[60af928] | 578 | """ |
---|
| 579 | Reads the categories in from file |
---|
| 580 | """ |
---|
| 581 | self.master_category_dict = defaultdict(list) |
---|
| 582 | self.by_model_dict = defaultdict(list) |
---|
| 583 | self.model_enabled_dict = defaultdict(bool) |
---|
| 584 | |
---|
[cbcdd2c] | 585 | categorization_file = CategoryInstaller.get_user_file() |
---|
| 586 | if not os.path.isfile(categorization_file): |
---|
| 587 | categorization_file = CategoryInstaller.get_default_file() |
---|
| 588 | with open(categorization_file, 'rb') as cat_file: |
---|
[60af928] | 589 | self.master_category_dict = json.load(cat_file) |
---|
[5236449] | 590 | self.regenerateModelDict() |
---|
[60af928] | 591 | |
---|
[5236449] | 592 | # Load the model dict |
---|
| 593 | models = load_standard_models() |
---|
| 594 | for model in models: |
---|
| 595 | self.models[model.name] = model |
---|
| 596 | |
---|
| 597 | def regenerateModelDict(self): |
---|
[60af928] | 598 | """ |
---|
[cbcdd2c] | 599 | Regenerates self.by_model_dict which has each model name as the |
---|
[60af928] | 600 | key and the list of categories belonging to that model |
---|
| 601 | along with the enabled mapping |
---|
| 602 | """ |
---|
| 603 | self.by_model_dict = defaultdict(list) |
---|
| 604 | for category in self.master_category_dict: |
---|
| 605 | for (model, enabled) in self.master_category_dict[category]: |
---|
| 606 | self.by_model_dict[model].append(category) |
---|
| 607 | self.model_enabled_dict[model] = enabled |
---|
| 608 | |
---|
[86f88d1] | 609 | def addBackgroundToModel(self, model): |
---|
| 610 | """ |
---|
| 611 | Adds background parameter with default values to the model |
---|
| 612 | """ |
---|
[cbcdd2c] | 613 | assert isinstance(model, QtGui.QStandardItemModel) |
---|
[86f88d1] | 614 | checked_list = ['background', '0.001', '-inf', 'inf', '1/cm'] |
---|
[4d457df] | 615 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
[86f88d1] | 616 | |
---|
| 617 | def addScaleToModel(self, model): |
---|
| 618 | """ |
---|
| 619 | Adds scale parameter with default values to the model |
---|
| 620 | """ |
---|
[cbcdd2c] | 621 | assert isinstance(model, QtGui.QStandardItemModel) |
---|
[86f88d1] | 622 | checked_list = ['scale', '1.0', '0.0', 'inf', ''] |
---|
[4d457df] | 623 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
[86f88d1] | 624 | |
---|
[0268aed] | 625 | def updateQRange(self): |
---|
| 626 | """ |
---|
| 627 | Updates Q Range display |
---|
| 628 | """ |
---|
| 629 | if self.data_is_loaded: |
---|
| 630 | self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange() |
---|
| 631 | # set Q range labels on the main tab |
---|
| 632 | self.lblMinRangeDef.setText(str(self.q_range_min)) |
---|
| 633 | self.lblMaxRangeDef.setText(str(self.q_range_max)) |
---|
| 634 | # set Q range labels on the options tab |
---|
| 635 | self.txtMaxRange.setText(str(self.q_range_max)) |
---|
| 636 | self.txtMinRange.setText(str(self.q_range_min)) |
---|
| 637 | self.txtNpts.setText(str(self.npts)) |
---|
| 638 | |
---|
[4d457df] | 639 | def SASModelToQModel(self, model_name, structure_factor=None): |
---|
[60af928] | 640 | """ |
---|
[cbcdd2c] | 641 | Setting model parameters into table based on selected category |
---|
[60af928] | 642 | """ |
---|
[351b53e] | 643 | # TODO - modify for structure factor-only choice |
---|
| 644 | |
---|
[60af928] | 645 | # Crete/overwrite model items |
---|
| 646 | self._model_model.clear() |
---|
[5236449] | 647 | |
---|
[60af928] | 648 | kernel_module = generate.load_kernel_module(model_name) |
---|
| 649 | self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', [])) |
---|
| 650 | |
---|
[cbcdd2c] | 651 | # Instantiate the current sasmodel |
---|
[5236449] | 652 | self.kernel_module = self.models[model_name]() |
---|
| 653 | |
---|
| 654 | # Explicitly add scale and background with default values |
---|
[86f88d1] | 655 | self.addScaleToModel(self._model_model) |
---|
| 656 | self.addBackgroundToModel(self._model_model) |
---|
[60af928] | 657 | |
---|
[5236449] | 658 | # Update the QModel |
---|
[4d457df] | 659 | FittingUtilities.addParametersToModel(self.model_parameters, self._model_model) |
---|
| 660 | # Update the counter used for multishell display |
---|
| 661 | self._last_model_row = self._model_model.rowCount() |
---|
| 662 | |
---|
| 663 | FittingUtilities.addHeadersToModel(self._model_model) |
---|
[cd31251] | 664 | |
---|
| 665 | # Add structure factor |
---|
| 666 | if structure_factor is not None and structure_factor != "None": |
---|
| 667 | structure_module = generate.load_kernel_module(structure_factor) |
---|
| 668 | structure_parameters = modelinfo.make_parameter_table(getattr(structure_module, 'parameters', [])) |
---|
[4d457df] | 669 | FittingUtilities.addSimpleParametersToModel(structure_parameters, self._model_model) |
---|
| 670 | # Update the counter used for multishell display |
---|
| 671 | self._last_model_row = self._model_model.rowCount() |
---|
[cd31251] | 672 | else: |
---|
| 673 | self.addStructureFactor() |
---|
| 674 | |
---|
[5236449] | 675 | # Multishell models need additional treatment |
---|
[86f88d1] | 676 | self.addExtraShells() |
---|
| 677 | |
---|
[5236449] | 678 | # Add polydispersity to the model |
---|
[86f88d1] | 679 | self.setPolyModel() |
---|
[5236449] | 680 | # Add magnetic parameters to the model |
---|
[86f88d1] | 681 | self.setMagneticModel() |
---|
[5236449] | 682 | |
---|
[a9b568c] | 683 | # Adjust the table cells width |
---|
| 684 | self.lstParams.resizeColumnToContents(0) |
---|
| 685 | self.lstParams.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
---|
| 686 | |
---|
[5236449] | 687 | # Now we claim the model has been loaded |
---|
[86f88d1] | 688 | self.model_is_loaded = True |
---|
| 689 | |
---|
[5236449] | 690 | # Update Q Ranges |
---|
| 691 | self.updateQRange() |
---|
| 692 | |
---|
[cd31251] | 693 | def updateParamsFromModel(self, item): |
---|
| 694 | """ |
---|
| 695 | Callback method for updating the sasmodel parameters with the GUI values |
---|
| 696 | """ |
---|
[cbcdd2c] | 697 | model_column = item.column() |
---|
[cd31251] | 698 | |
---|
| 699 | if model_column == 0: |
---|
[f182f93] | 700 | self.checkboxSelected(item) |
---|
[cd31251] | 701 | return |
---|
| 702 | |
---|
[f182f93] | 703 | model_row = item.row() |
---|
| 704 | name_index = self._model_model.index(model_row, 0) |
---|
| 705 | |
---|
[cd31251] | 706 | # Extract changed value. Assumes proper validation by QValidator/Delegate |
---|
| 707 | value = float(item.text()) |
---|
[cbcdd2c] | 708 | parameter_name = str(self._model_model.data(name_index).toPyObject()) # sld, background etc. |
---|
| 709 | property_name = str(self._model_model.headerData(1, model_column).toPyObject()) # Value, min, max, etc. |
---|
| 710 | |
---|
| 711 | self.kernel_module.params[parameter_name] = value |
---|
| 712 | |
---|
| 713 | # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf] |
---|
| 714 | # magnetic params in self.kernel_module.details['M0:parameter_name'] = value |
---|
| 715 | # multishell params in self.kernel_module.details[??] = value |
---|
| 716 | |
---|
[7d077d1] | 717 | # Force the chart update |
---|
| 718 | self.onPlot() |
---|
| 719 | |
---|
[f182f93] | 720 | def checkboxSelected(self, item): |
---|
| 721 | # Assure we're dealing with checkboxes |
---|
| 722 | if not item.isCheckable(): |
---|
| 723 | return |
---|
| 724 | status = item.checkState() |
---|
| 725 | |
---|
| 726 | def isChecked(row): |
---|
| 727 | return self._model_model.item(row, 0).checkState() == QtCore.Qt.Checked |
---|
| 728 | |
---|
| 729 | def isCheckable(row): |
---|
| 730 | return self._model_model.item(row, 0).isCheckable() |
---|
| 731 | |
---|
| 732 | # If multiple rows selected - toggle all of them, filtering uncheckable |
---|
| 733 | rows = [s.row() for s in self.lstParams.selectionModel().selectedRows() if isCheckable(s.row())] |
---|
| 734 | |
---|
| 735 | # Switch off signaling from the model to avoid recursion |
---|
| 736 | self._model_model.blockSignals(True) |
---|
| 737 | # Convert to proper indices and set requested enablement |
---|
| 738 | items = [self._model_model.item(row, 0).setCheckState(status) for row in rows] |
---|
| 739 | self._model_model.blockSignals(False) |
---|
| 740 | |
---|
| 741 | # update the list of parameters to fit |
---|
| 742 | self.parameters_to_fit = [str(self._model_model.item(row_index, 0).text()) |
---|
| 743 | for row_index in xrange(self._model_model.rowCount()) |
---|
| 744 | if isChecked(row_index)] |
---|
| 745 | |
---|
[6fd4e36] | 746 | def nameForFittedData(self, name): |
---|
[5236449] | 747 | """ |
---|
[6fd4e36] | 748 | Generate name for the current fit |
---|
[5236449] | 749 | """ |
---|
| 750 | if self.is2D: |
---|
| 751 | name += "2d" |
---|
| 752 | name = "M%i [%s]" % (self.tab_id, name) |
---|
[6fd4e36] | 753 | return name |
---|
| 754 | |
---|
| 755 | def createNewIndex(self, fitted_data): |
---|
| 756 | """ |
---|
| 757 | Create a model or theory index with passed Data1D/Data2D |
---|
| 758 | """ |
---|
| 759 | if self.data_is_loaded: |
---|
[0268aed] | 760 | if not fitted_data.name: |
---|
| 761 | name = self.nameForFittedData(self.data.filename) |
---|
| 762 | fitted_data.title = name |
---|
| 763 | fitted_data.name = name |
---|
| 764 | fitted_data.filename = name |
---|
[7d077d1] | 765 | fitted_data.symbol = "Line" |
---|
[6fd4e36] | 766 | self.updateModelIndex(fitted_data) |
---|
| 767 | else: |
---|
[0268aed] | 768 | name = self.nameForFittedData(self.kernel_module.name) |
---|
| 769 | fitted_data.title = name |
---|
| 770 | fitted_data.name = name |
---|
| 771 | fitted_data.filename = name |
---|
| 772 | fitted_data.symbol = "Line" |
---|
[6fd4e36] | 773 | self.createTheoryIndex(fitted_data) |
---|
| 774 | |
---|
| 775 | def updateModelIndex(self, fitted_data): |
---|
| 776 | """ |
---|
| 777 | Update a QStandardModelIndex containing model data |
---|
| 778 | """ |
---|
[0268aed] | 779 | if fitted_data.name is None: |
---|
| 780 | name = self.nameForFittedData(self.logic.data.filename) |
---|
| 781 | fitted_data.title = name |
---|
| 782 | fitted_data.name = name |
---|
| 783 | else: |
---|
| 784 | name = fitted_data.name |
---|
| 785 | # Make this a line if no other defined |
---|
[7d077d1] | 786 | if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None: |
---|
[0268aed] | 787 | fitted_data.symbol = 'Line' |
---|
[6fd4e36] | 788 | # Notify the GUI manager so it can update the main model in DataExplorer |
---|
| 789 | GuiUtils.updateModelItemWithPlot(self._index, QtCore.QVariant(fitted_data), name) |
---|
| 790 | |
---|
| 791 | def createTheoryIndex(self, fitted_data): |
---|
| 792 | """ |
---|
| 793 | Create a QStandardModelIndex containing model data |
---|
| 794 | """ |
---|
[0268aed] | 795 | if fitted_data.name is None: |
---|
| 796 | name = self.nameForFittedData(self.kernel_module.name) |
---|
| 797 | fitted_data.title = name |
---|
| 798 | fitted_data.name = name |
---|
| 799 | fitted_data.filename = name |
---|
| 800 | else: |
---|
| 801 | name = fitted_data.name |
---|
[6fd4e36] | 802 | # Notify the GUI manager so it can create the theory model in DataExplorer |
---|
| 803 | new_item = GuiUtils.createModelItemWithPlot(QtCore.QVariant(fitted_data), name=name) |
---|
[cbcdd2c] | 804 | self.communicate.updateTheoryFromPerspectiveSignal.emit(new_item) |
---|
[5236449] | 805 | |
---|
[4d457df] | 806 | def methodCalculateForData(self): |
---|
| 807 | '''return the method for data calculation''' |
---|
| 808 | return Calc1D if isinstance(self.data, Data1D) else Calc2D |
---|
| 809 | |
---|
| 810 | def methodCompleteForData(self): |
---|
| 811 | '''return the method for result parsin on calc complete ''' |
---|
| 812 | return self.complete1D if isinstance(self.data, Data1D) else self.complete2D |
---|
| 813 | |
---|
[b1e36a3] | 814 | def calculateQGridForModel(self): |
---|
[86f88d1] | 815 | """ |
---|
| 816 | Prepare the fitting data object, based on current ModelModel |
---|
| 817 | """ |
---|
[4d457df] | 818 | # Awful API to a backend method. |
---|
| 819 | method = self.methodCalculateForData()(data=self.data, |
---|
[cbcdd2c] | 820 | model=self.kernel_module, |
---|
| 821 | page_id=0, |
---|
| 822 | qmin=self.q_range_min, |
---|
| 823 | qmax=self.q_range_max, |
---|
| 824 | smearer=None, |
---|
| 825 | state=None, |
---|
| 826 | weight=None, |
---|
| 827 | fid=None, |
---|
| 828 | toggle_mode_on=False, |
---|
[4d457df] | 829 | completefn=None, |
---|
[cbcdd2c] | 830 | update_chisqr=True, |
---|
[5236449] | 831 | exception_handler=self.calcException, |
---|
[cbcdd2c] | 832 | source=None) |
---|
[4d457df] | 833 | |
---|
| 834 | calc_thread = threads.deferToThread(method.compute) |
---|
| 835 | calc_thread.addCallback(self.methodCompleteForData()) |
---|
[5236449] | 836 | |
---|
[cbcdd2c] | 837 | def complete1D(self, return_data): |
---|
[5236449] | 838 | """ |
---|
[4d457df] | 839 | Plot the current 1D data |
---|
| 840 | """ |
---|
[7d077d1] | 841 | fitted_plot = self.logic.new1DPlot(return_data, self.tab_id) |
---|
[0268aed] | 842 | self.calculateResiduals(fitted_plot) |
---|
[cbcdd2c] | 843 | |
---|
| 844 | def complete2D(self, return_data): |
---|
| 845 | """ |
---|
[4d457df] | 846 | Plot the current 2D data |
---|
| 847 | """ |
---|
[6fd4e36] | 848 | fitted_data = self.logic.new2DPlot(return_data) |
---|
| 849 | self.calculateResiduals(fitted_data) |
---|
| 850 | |
---|
| 851 | def calculateResiduals(self, fitted_data): |
---|
| 852 | """ |
---|
| 853 | Calculate and print Chi2 and display chart of residuals |
---|
| 854 | """ |
---|
| 855 | # Create a new index for holding data |
---|
[7d077d1] | 856 | fitted_data.symbol = "Line" |
---|
[6fd4e36] | 857 | self.createNewIndex(fitted_data) |
---|
| 858 | # Calculate difference between return_data and logic.data |
---|
| 859 | chi2 = FittingUtilities.calculateChi2(fitted_data, self.logic.data) |
---|
| 860 | # Update the control |
---|
[f182f93] | 861 | chi2_repr = "---" if chi2 is None else GuiUtils.formatNumber(chi2, high=True) |
---|
| 862 | #self.lblChi2Value.setText(GuiUtils.formatNumber(chi2, high=True)) |
---|
| 863 | self.lblChi2Value.setText(chi2_repr) |
---|
[cbcdd2c] | 864 | |
---|
[0268aed] | 865 | # Plot residuals if actual data |
---|
| 866 | if self.data_is_loaded: |
---|
| 867 | residuals_plot = FittingUtilities.plotResiduals(self.data, fitted_data) |
---|
[7d077d1] | 868 | residuals_plot.id = "Residual " + residuals_plot.id |
---|
[0268aed] | 869 | self.createNewIndex(residuals_plot) |
---|
[9f25bce] | 870 | self.communicate.plotUpdateSignal.emit([residuals_plot]) |
---|
[5236449] | 871 | |
---|
[7d077d1] | 872 | self.communicate.plotUpdateSignal.emit([fitted_data]) |
---|
| 873 | |
---|
[5236449] | 874 | def calcException(self, etype, value, tb): |
---|
| 875 | """ |
---|
[b1e36a3] | 876 | Something horrible happened in the deferred. |
---|
[5236449] | 877 | """ |
---|
| 878 | logging.error("".join(traceback.format_exception(etype, value, tb))) |
---|
[60af928] | 879 | |
---|
| 880 | def setTableProperties(self, table): |
---|
| 881 | """ |
---|
| 882 | Setting table properties |
---|
| 883 | """ |
---|
| 884 | # Table properties |
---|
| 885 | table.verticalHeader().setVisible(False) |
---|
| 886 | table.setAlternatingRowColors(True) |
---|
| 887 | table.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
---|
| 888 | table.setSelectionBehavior(QtGui.QAbstractItemView.SelectRows) |
---|
[f46f6dc] | 889 | table.resizeColumnsToContents() |
---|
| 890 | |
---|
[60af928] | 891 | # Header |
---|
| 892 | header = table.horizontalHeader() |
---|
[f46f6dc] | 893 | header.setResizeMode(QtGui.QHeaderView.ResizeToContents) |
---|
| 894 | |
---|
| 895 | header.ResizeMode(QtGui.QHeaderView.Interactive) |
---|
[b1e36a3] | 896 | # Resize column 0 and 6 to content |
---|
[f46f6dc] | 897 | header.setResizeMode(0, QtGui.QHeaderView.ResizeToContents) |
---|
| 898 | header.setResizeMode(6, QtGui.QHeaderView.ResizeToContents) |
---|
[60af928] | 899 | |
---|
| 900 | def setPolyModel(self): |
---|
| 901 | """ |
---|
| 902 | Set polydispersity values |
---|
| 903 | """ |
---|
[86f88d1] | 904 | if not self.model_parameters: |
---|
| 905 | return |
---|
| 906 | self._poly_model.clear() |
---|
| 907 | for row, param in enumerate(self.model_parameters.form_volume_parameters): |
---|
| 908 | # Counters should not be included |
---|
| 909 | if not param.polydisperse: |
---|
| 910 | continue |
---|
| 911 | |
---|
| 912 | # Potential multishell params |
---|
| 913 | checked_list = ["Distribution of "+param.name, str(param.default), |
---|
[cbcdd2c] | 914 | str(param.limits[0]), str(param.limits[1]), |
---|
[86f88d1] | 915 | "35", "3", ""] |
---|
[4d457df] | 916 | FittingUtilities.addCheckedListToModel(self._poly_model, checked_list) |
---|
[86f88d1] | 917 | |
---|
| 918 | #TODO: Need to find cleaner way to input functions |
---|
| 919 | func = QtGui.QComboBox() |
---|
[cbcdd2c] | 920 | func.addItems(['rectangle', 'array', 'lognormal', 'gaussian', 'schulz',]) |
---|
| 921 | func_index = self.lstPoly.model().index(row, 6) |
---|
| 922 | self.lstPoly.setIndexWidget(func_index, func) |
---|
[86f88d1] | 923 | |
---|
[4d457df] | 924 | FittingUtilities.addPolyHeadersToModel(self._poly_model) |
---|
[60af928] | 925 | |
---|
| 926 | def setMagneticModel(self): |
---|
| 927 | """ |
---|
| 928 | Set magnetism values on model |
---|
| 929 | """ |
---|
[86f88d1] | 930 | if not self.model_parameters: |
---|
| 931 | return |
---|
| 932 | self._magnet_model.clear() |
---|
| 933 | for param in self.model_parameters.call_parameters: |
---|
| 934 | if param.type != "magnetic": |
---|
| 935 | continue |
---|
| 936 | checked_list = [param.name, |
---|
| 937 | str(param.default), |
---|
| 938 | str(param.limits[0]), |
---|
| 939 | str(param.limits[1]), |
---|
| 940 | param.units] |
---|
[4d457df] | 941 | FittingUtilities.addCheckedListToModel(self._magnet_model, checked_list) |
---|
[86f88d1] | 942 | |
---|
[4d457df] | 943 | FittingUtilities.addHeadersToModel(self._magnet_model) |
---|
[60af928] | 944 | |
---|
[cd31251] | 945 | def addStructureFactor(self): |
---|
| 946 | """ |
---|
| 947 | Add structure factors to the list of parameters |
---|
| 948 | """ |
---|
| 949 | if self.kernel_module.is_form_factor: |
---|
| 950 | self.enableStructureCombo() |
---|
| 951 | else: |
---|
| 952 | self.disableStructureCombo() |
---|
| 953 | |
---|
[60af928] | 954 | def addExtraShells(self): |
---|
| 955 | """ |
---|
[f46f6dc] | 956 | Add a combobox for multiple shell display |
---|
[60af928] | 957 | """ |
---|
[4d457df] | 958 | param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters) |
---|
[f46f6dc] | 959 | |
---|
| 960 | if param_length == 0: |
---|
| 961 | return |
---|
| 962 | |
---|
[6f7f652] | 963 | # cell 1: variable name |
---|
[f46f6dc] | 964 | item1 = QtGui.QStandardItem(param_name) |
---|
| 965 | |
---|
[60af928] | 966 | func = QtGui.QComboBox() |
---|
[b1e36a3] | 967 | # Available range of shells displayed in the combobox |
---|
| 968 | func.addItems([str(i) for i in xrange(param_length+1)]) |
---|
[a9b568c] | 969 | |
---|
[b1e36a3] | 970 | # Respond to index change |
---|
[86f88d1] | 971 | func.currentIndexChanged.connect(self.modifyShellsInList) |
---|
[60af928] | 972 | |
---|
[6f7f652] | 973 | # cell 2: combobox |
---|
[f46f6dc] | 974 | item2 = QtGui.QStandardItem() |
---|
| 975 | self._model_model.appendRow([item1, item2]) |
---|
[60af928] | 976 | |
---|
[6f7f652] | 977 | # Beautify the row: span columns 2-4 |
---|
[60af928] | 978 | shell_row = self._model_model.rowCount() |
---|
[f46f6dc] | 979 | shell_index = self._model_model.index(shell_row-1, 1) |
---|
[86f88d1] | 980 | |
---|
[4d457df] | 981 | self.lstParams.setIndexWidget(shell_index, func) |
---|
[86f88d1] | 982 | self._last_model_row = self._model_model.rowCount() |
---|
| 983 | |
---|
[a9b568c] | 984 | # Set the index to the state-kept value |
---|
| 985 | func.setCurrentIndex(self.current_shell_displayed |
---|
| 986 | if self.current_shell_displayed < func.count() else 0) |
---|
| 987 | |
---|
[86f88d1] | 988 | def modifyShellsInList(self, index): |
---|
| 989 | """ |
---|
| 990 | Add/remove additional multishell parameters |
---|
| 991 | """ |
---|
| 992 | # Find row location of the combobox |
---|
| 993 | last_row = self._last_model_row |
---|
| 994 | remove_rows = self._model_model.rowCount() - last_row |
---|
| 995 | |
---|
| 996 | if remove_rows > 1: |
---|
| 997 | self._model_model.removeRows(last_row, remove_rows) |
---|
| 998 | |
---|
[4d457df] | 999 | FittingUtilities.addShellsToModel(self.model_parameters, self._model_model, index) |
---|
[a9b568c] | 1000 | self.current_shell_displayed = index |
---|
[60af928] | 1001 | |
---|