import sys import json import os import numpy from collections import defaultdict from itertools import izip import logging import traceback from twisted.internet import threads from PyQt4 import QtGui from PyQt4 import QtCore from sasmodels import generate from sasmodels import modelinfo from sasmodels.sasview_model import load_standard_models from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit from sas.sasgui.perspectives.fitting.fit_thread import FitThread from sas.sasgui.guiframe.CategoryInstaller import CategoryInstaller from sas.sasgui.guiframe.dataFitting import Data1D from sas.sasgui.guiframe.dataFitting import Data2D import sas.qtgui.GuiUtils as GuiUtils from sas.sasgui.perspectives.fitting.model_thread import Calc1D from sas.sasgui.perspectives.fitting.model_thread import Calc2D from UI.FittingWidgetUI import Ui_FittingWidgetUI from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic from sas.qtgui.Perspectives.Fitting import FittingUtilities TAB_MAGNETISM = 4 TAB_POLY = 3 CATEGORY_DEFAULT = "Choose category..." CATEGORY_STRUCTURE = "Structure Factor" STRUCTURE_DEFAULT = "None" QMIN_DEFAULT = 0.0005 QMAX_DEFAULT = 0.5 NPTS_DEFAULT = 50 class FittingWidget(QtGui.QWidget, Ui_FittingWidgetUI): """ Main widget for selecting form and structure factor models """ def __init__(self, parent=None, data=None, id=1): super(FittingWidget, self).__init__() # Necessary globals self.parent = parent # SasModel is loaded self.model_is_loaded = False # Data[12]D passed and set self.data_is_loaded = False # Current SasModel in view self.kernel_module = None # Current SasModel view dimension self.is2D = False # Current SasModel is multishell self.model_has_shells = False # Utility variable to enable unselectable option in category combobox self._previous_category_index = 0 # Utility variable for multishell display self._last_model_row = 0 # Dictionary of {model name: model class} for the current category self.models = {} # Parameters to fit self.parameters_to_fit = None # Which tab is this widget displayed in? self.tab_id = id # Which shell is being currently displayed? self.current_shell_displayed = 0 self.has_error_column = False # Range parameters self.q_range_min = QMIN_DEFAULT self.q_range_max = QMAX_DEFAULT self.npts = NPTS_DEFAULT # Main Data[12]D holder self.logic = FittingLogic(data=data) # Main GUI setup up self.setupUi(self) self.setWindowTitle("Fitting") self.communicate = self.parent.communicate # Define bold font for use in various controls self.boldFont=QtGui.QFont() self.boldFont.setBold(True) # Set data label self.label.setFont(self.boldFont) self.label.setText("No data loaded") self.lblFilename.setText("") # Set the main models # We can't use a single model here, due to restrictions on flattening # the model tree with subclassed QAbstractProxyModel... self._model_model = QtGui.QStandardItemModel() self._poly_model = QtGui.QStandardItemModel() self._magnet_model = QtGui.QStandardItemModel() # Param model displayed in param list self.lstParams.setModel(self._model_model) self.readCategoryInfo() self.model_parameters = None self.lstParams.setAlternatingRowColors(True) # Poly model displayed in poly list self.lstPoly.setModel(self._poly_model) self.setPolyModel() self.setTableProperties(self.lstPoly) # Magnetism model displayed in magnetism list self.lstMagnetic.setModel(self._magnet_model) self.setMagneticModel() self.setTableProperties(self.lstMagnetic) # Defaults for the structure factors self.setDefaultStructureCombo() # Make structure factor and model CBs disabled self.disableModelCombo() self.disableStructureCombo() # Generate the category list for display category_list = sorted(self.master_category_dict.keys()) self.cbCategory.addItem(CATEGORY_DEFAULT) self.cbCategory.addItems(category_list) self.cbCategory.addItem(CATEGORY_STRUCTURE) self.cbCategory.setCurrentIndex(0) # Connect signals to controls self.initializeSignals() # Initial control state self.initializeControls() self._index = None if data is not None: self.data = data @property def data(self): return self.logic.data @data.setter def data(self, value): """ data setter """ assert isinstance(value, QtGui.QStandardItem) # _index contains the QIndex with data self._index = value # Update logics with data items self.logic.data = GuiUtils.dataFromItem(value) self.data_is_loaded = True # Tag along functionality self.label.setText("Data loaded from: ") self.lblFilename.setText(self.logic.data.filename) self.updateQRange() self.cmdFit.setEnabled(True) def acceptsData(self): """ Tells the caller this widget can accept new dataset """ return not self.data_is_loaded def disableModelCombo(self): """ Disable the combobox """ self.cbModel.setEnabled(False) self.lblModel.setEnabled(False) def enableModelCombo(self): """ Enable the combobox """ self.cbModel.setEnabled(True) self.lblModel.setEnabled(True) def disableStructureCombo(self): """ Disable the combobox """ self.cbStructureFactor.setEnabled(False) self.lblStructure.setEnabled(False) def enableStructureCombo(self): """ Enable the combobox """ self.cbStructureFactor.setEnabled(True) self.lblStructure.setEnabled(True) def togglePoly(self, isChecked): """ Enable/disable the polydispersity tab """ self.tabFitting.setTabEnabled(TAB_POLY, isChecked) def toggleMagnetism(self, isChecked): """ Enable/disable the magnetism tab """ self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked) def toggle2D(self, isChecked): """ Enable/disable the controls dependent on 1D/2D data instance """ self.chkMagnetism.setEnabled(isChecked) self.is2D = isChecked # Reload the current model self.onSelectModel() def initializeControls(self): """ Set initial control enablement """ self.cmdFit.setEnabled(False) self.cmdPlot.setEnabled(True) self.chkPolydispersity.setEnabled(True) self.chkPolydispersity.setCheckState(False) self.chk2DView.setEnabled(True) self.chk2DView.setCheckState(False) self.chkMagnetism.setEnabled(False) self.chkMagnetism.setCheckState(False) # Tabs self.tabFitting.setTabEnabled(TAB_POLY, False) self.tabFitting.setTabEnabled(TAB_MAGNETISM, False) self.lblChi2Value.setText("---") def initializeSignals(self): """ Connect GUI element signals """ # Comboboxes self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor) self.cbCategory.currentIndexChanged.connect(self.onSelectCategory) self.cbModel.currentIndexChanged.connect(self.onSelectModel) # Checkboxes self.chk2DView.toggled.connect(self.toggle2D) self.chkPolydispersity.toggled.connect(self.togglePoly) self.chkMagnetism.toggled.connect(self.toggleMagnetism) # Buttons self.cmdFit.clicked.connect(self.onFit) self.cmdPlot.clicked.connect(self.onPlot) # Line edits self.txtNpts.editingFinished.connect(self.onNpts) self.txtMinRange.editingFinished.connect(self.onMinRange) self.txtMaxRange.editingFinished.connect(self.onMaxRange) # Respond to change in parameters from the UI self._model_model.itemChanged.connect(self.updateParamsFromModel) self._poly_model.itemChanged.connect(self.onPolyModelChange) # TODO after the poly_model prototype accepted #self._magnet_model.itemChanged.connect(self.onMagneticModelChange) def onSelectModel(self): """ Respond to select Model from list event """ model = str(self.cbModel.currentText()) # Reset structure factor self.cbStructureFactor.setCurrentIndex(0) # Reset parameters to fit self.parameters_to_fit = None self.has_error_column = False # SasModel -> QModel self.SASModelToQModel(model) if self.data_is_loaded: self.calculateQGridForModel() else: # Create default datasets if no data passed self.createDefaultDataset() def onSelectStructureFactor(self): """ Select Structure Factor from list """ model = str(self.cbModel.currentText()) category = str(self.cbCategory.currentText()) structure = str(self.cbStructureFactor.currentText()) if category == CATEGORY_STRUCTURE: model = None self.SASModelToQModel(model, structure_factor=structure) def onSelectCategory(self): """ Select Category from list """ category = str(self.cbCategory.currentText()) # Check if the user chose "Choose category entry" if category == CATEGORY_DEFAULT: # if the previous category was not the default, keep it. # Otherwise, just return if self._previous_category_index != 0: # We need to block signals, or else state changes on perceived unchanged conditions self.cbCategory.blockSignals(True) self.cbCategory.setCurrentIndex(self._previous_category_index) self.cbCategory.blockSignals(False) return if category == CATEGORY_STRUCTURE: self.disableModelCombo() self.enableStructureCombo() self._model_model.clear() return # Safely clear and enable the model combo self.cbModel.blockSignals(True) self.cbModel.clear() self.cbModel.blockSignals(False) self.enableModelCombo() self.disableStructureCombo() self._previous_category_index = self.cbCategory.currentIndex() # Retrieve the list of models model_list = self.master_category_dict[category] models = [] # Populate the models combobox self.cbModel.addItems(sorted([model for (model, _) in model_list])) def onPolyModelChange(self, item): """ Callback method for updating the main model and sasmodel parameters with the GUI values in the polydispersity view """ model_column = item.column() model_row = item.row() name_index = self._poly_model.index(model_row, 0) # Extract changed value. Assumes proper validation by QValidator/Delegate # Checkbox in column 0 if model_column == 0: value = item.checkState() else: try: value = float(item.text()) except ValueError: # Can't be converted properly, bring back the old value and exit return parameter_name = str(self._poly_model.data(name_index).toPyObject()) # "distribution of sld" etc. if "Distribution of" in parameter_name: parameter_name = parameter_name[16:] property_name = str(self._poly_model.headerData(model_column, 1).toPyObject()) # Value, min, max, etc. # print "%s(%s) => %d" % (parameter_name, property_name, value) # Update the sasmodel #self.kernel_module.params[parameter_name] = value # Reload the main model - may not be required if no variable is shown in main view #model = str(self.cbModel.currentText()) #self.SASModelToQModel(model) pass # debug anchor def onFit(self): """ Perform fitting on the current data """ fitter = Fit() # Data going in data = self.logic.data model = self.kernel_module qmin = self.q_range_min qmax = self.q_range_max params_to_fit = self.parameters_to_fit # These should be updating somehow? fit_id = 0 constraints = [] smearer = None page_id = [210] handler = None batch_inputs = {} batch_outputs = {} list_page_id = [page_id] #--------------------------------- # Parameterize the fitter fitter.set_model(model, fit_id, params_to_fit, data=data, constraints=constraints) fitter.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin, qmax=qmax) fitter.select_problem_for_fit(id=fit_id, value=1) fitter.fitter_id = page_id # Create the fitting thread, based on the fitter calc_fit = FitThread(handler=handler, fn=[fitter], batch_inputs=batch_inputs, batch_outputs=batch_outputs, page_id=list_page_id, updatefn=self.updateFit, completefn=None) # start the trhrhread calc_thread = threads.deferToThread(calc_fit.compute) calc_thread.addCallback(self.fitComplete) #disable the Fit button self.cmdFit.setText('Calculating...') self.communicate.statusBarUpdateSignal.emit('Fitting started...') self.cmdFit.setEnabled(False) def updateFit(self): """ """ print "UPDATE FIT" pass def fitComplete(self, result): """ Receive and display fitting results "result" is a tuple of actual result list and the fit time in seconds """ #re-enable the Fit button self.cmdFit.setText("Fit") self.cmdFit.setEnabled(True) assert result is not None res_list = result[0] res = res_list[0] if res.fitness is None or \ not numpy.isfinite(res.fitness) or \ numpy.any(res.pvec == None) or \ not numpy.all(numpy.isfinite(res.pvec)): msg = "Fitting did not converge!!!" self.communicate.statusBarUpdateSignal.emit(msg) logging.error(msg) return elapsed = result[1] msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed) self.communicate.statusBarUpdateSignal.emit(msg) fitness = res.fitness param_list = res.param_list param_values = res.pvec param_stderr = res.stderr params_and_errors = zip(param_values, param_stderr) param_dict = dict(izip(param_list, params_and_errors)) # Dictionary of fitted parameter: value, error # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)} self.updateModelFromList(param_dict) # update charts self.onPlot() # Read only value - we can get away by just printing it here chi2_repr = GuiUtils.formatNumber(fitness, high=True) self.lblChi2Value.setText(chi2_repr) def iterateOverModel(self, func): """ Take func and throw it inside the model row loop """ #assert isinstance(func, function) for row_i in xrange(self._model_model.rowCount()): func(row_i) def updateModelFromList(self, param_dict): """ Update the model with new parameters, create the errors column """ assert isinstance(param_dict, dict) if not dict: return def updateFittedValues(row_i): # Utility function for main model update # internal so can use closure for param_dict param_name = str(self._model_model.item(row_i, 0).text()) if param_name not in param_dict.keys(): return # modify the param value param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) self._model_model.item(row_i, 1).setText(param_repr) if self.has_error_column: error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) self._model_model.item(row_i, 2).setText(error_repr) def createErrorColumn(row_i): # Utility function for error column update item = QtGui.QStandardItem() for param_name in param_dict.keys(): if str(self._model_model.item(row_i, 0).text()) != param_name: continue error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) item.setText(error_repr) error_column.append(item) self.iterateOverModel(updateFittedValues) if self.has_error_column: return error_column = [] self.iterateOverModel(createErrorColumn) # switch off reponse to model change self._model_model.blockSignals(True) self._model_model.insertColumn(2, error_column) self._model_model.blockSignals(False) FittingUtilities.addErrorHeadersToModel(self._model_model) # Adjust the table cells width. # TODO: find a way to dynamically adjust column width while resized expanding self.lstParams.resizeColumnToContents(0) self.lstParams.resizeColumnToContents(4) self.lstParams.resizeColumnToContents(5) self.lstParams.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) self.has_error_column = True def onPlot(self): """ Plot the current set of data """ if self.data is None : self.createDefaultDataset() self.calculateQGridForModel() def onNpts(self): """ Callback for number of points line edit update """ # assumes type/value correctness achieved with QValidator try: self.npts = int(self.txtNpts.text()) except ValueError: # TODO # This will return the old value to model/view and return # notifying the user about format available. pass # Force redisplay if self.model_is_loaded: self.onPlot() def onMinRange(self): """ Callback for minimum range of points line edit update """ # assumes type/value correctness achieved with QValidator try: self.q_range_min = float(self.txtMinRange.text()) except ValueError: # TODO # This will return the old value to model/view and return # notifying the user about format available. return # set Q range labels on the main tab self.lblMinRangeDef.setText(str(self.q_range_min)) if self.model_is_loaded: self.onPlot() def onMaxRange(self): """ Callback for maximum range of points line edit update """ # assumes type/value correctness achieved with QValidator try: self.q_range_max = float(self.txtMaxRange.text()) except: pass # set Q range labels on the main tab self.lblMaxRangeDef.setText(str(self.q_range_max)) if self.model_is_loaded: self.onPlot() def setDefaultStructureCombo(self): """ Fill in the structure factors combo box with defaults """ structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE) factors = [factor[0] for factor in structure_factor_list] factors.insert(0, STRUCTURE_DEFAULT) self.cbStructureFactor.clear() self.cbStructureFactor.addItems(sorted(factors)) def createDefaultDataset(self): """ Generate default Dataset 1D/2D for the given model """ # Create default datasets if no data passed if self.is2D: qmax = self.q_range_max/numpy.sqrt(2) qstep = self.npts self.logic.createDefault2dData(qmax, qstep, self.tab_id) else: interval = numpy.linspace(start=self.q_range_min, stop=self.q_range_max, num=self.npts, endpoint=True) self.logic.createDefault1dData(interval, self.tab_id) def readCategoryInfo(self): """ Reads the categories in from file """ self.master_category_dict = defaultdict(list) self.by_model_dict = defaultdict(list) self.model_enabled_dict = defaultdict(bool) categorization_file = CategoryInstaller.get_user_file() if not os.path.isfile(categorization_file): categorization_file = CategoryInstaller.get_default_file() with open(categorization_file, 'rb') as cat_file: self.master_category_dict = json.load(cat_file) self.regenerateModelDict() # Load the model dict models = load_standard_models() for model in models: self.models[model.name] = model def regenerateModelDict(self): """ Regenerates self.by_model_dict which has each model name as the key and the list of categories belonging to that model along with the enabled mapping """ self.by_model_dict = defaultdict(list) for category in self.master_category_dict: for (model, enabled) in self.master_category_dict[category]: self.by_model_dict[model].append(category) self.model_enabled_dict[model] = enabled def addBackgroundToModel(self, model): """ Adds background parameter with default values to the model """ assert isinstance(model, QtGui.QStandardItemModel) checked_list = ['background', '0.001', '-inf', 'inf', '1/cm'] FittingUtilities.addCheckedListToModel(model, checked_list) def addScaleToModel(self, model): """ Adds scale parameter with default values to the model """ assert isinstance(model, QtGui.QStandardItemModel) checked_list = ['scale', '1.0', '0.0', 'inf', ''] FittingUtilities.addCheckedListToModel(model, checked_list) def updateQRange(self): """ Updates Q Range display """ if self.data_is_loaded: self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange() # set Q range labels on the main tab self.lblMinRangeDef.setText(str(self.q_range_min)) self.lblMaxRangeDef.setText(str(self.q_range_max)) # set Q range labels on the options tab self.txtMaxRange.setText(str(self.q_range_max)) self.txtMinRange.setText(str(self.q_range_min)) self.txtNpts.setText(str(self.npts)) def SASModelToQModel(self, model_name, structure_factor=None): """ Setting model parameters into table based on selected category """ # TODO - modify for structure factor-only choice # Crete/overwrite model items self._model_model.clear() kernel_module = generate.load_kernel_module(model_name) self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', [])) # Instantiate the current sasmodel self.kernel_module = self.models[model_name]() # Explicitly add scale and background with default values self.addScaleToModel(self._model_model) self.addBackgroundToModel(self._model_model) # Update the QModel new_rows = FittingUtilities.addParametersToModel(self.model_parameters, self.is2D) for row in new_rows: self._model_model.appendRow(row) # Update the counter used for multishell display self._last_model_row = self._model_model.rowCount() FittingUtilities.addHeadersToModel(self._model_model) # Add structure factor if structure_factor is not None and structure_factor != "None": structure_module = generate.load_kernel_module(structure_factor) structure_parameters = modelinfo.make_parameter_table(getattr(structure_module, 'parameters', [])) new_rows = FittingUtilities.addSimpleParametersToModel(structure_parameters, self.is2D) for row in new_rows: self._model_model.appendRow(row) # Update the counter used for multishell display self._last_model_row = self._model_model.rowCount() else: self.addStructureFactor() # Multishell models need additional treatment self.addExtraShells() # Add polydispersity to the model self.setPolyModel() # Add magnetic parameters to the model self.setMagneticModel() # Adjust the table cells width self.lstParams.resizeColumnToContents(0) self.lstParams.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) # Now we claim the model has been loaded self.model_is_loaded = True # Update Q Ranges self.updateQRange() def updateParamsFromModel(self, item): """ Callback method for updating the sasmodel parameters with the GUI values """ model_column = item.column() if model_column == 0: self.checkboxSelected(item) return model_row = item.row() name_index = self._model_model.index(model_row, 0) # Extract changed value. Assumes proper validation by QValidator/Delegate value = float(item.text()) parameter_name = str(self._model_model.data(name_index).toPyObject()) # sld, background etc. property_name = str(self._model_model.headerData(1, model_column).toPyObject()) # Value, min, max, etc. self.kernel_module.params[parameter_name] = value # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf] # magnetic params in self.kernel_module.details['M0:parameter_name'] = value # multishell params in self.kernel_module.details[??] = value # Force the chart update when actual parameters changed if model_column == 1: self.onPlot() def checkboxSelected(self, item): # Assure we're dealing with checkboxes if not item.isCheckable(): return status = item.checkState() def isChecked(row): return self._model_model.item(row, 0).checkState() == QtCore.Qt.Checked def isCheckable(row): return self._model_model.item(row, 0).isCheckable() # If multiple rows selected - toggle all of them, filtering uncheckable rows = [s.row() for s in self.lstParams.selectionModel().selectedRows() if isCheckable(s.row())] # Switch off signaling from the model to avoid recursion self._model_model.blockSignals(True) # Convert to proper indices and set requested enablement items = [self._model_model.item(row, 0).setCheckState(status) for row in rows] self._model_model.blockSignals(False) # update the list of parameters to fit self.parameters_to_fit = [str(self._model_model.item(row_index, 0).text()) for row_index in xrange(self._model_model.rowCount()) if isChecked(row_index)] def nameForFittedData(self, name): """ Generate name for the current fit """ if self.is2D: name += "2d" name = "M%i [%s]" % (self.tab_id, name) return name def createNewIndex(self, fitted_data): """ Create a model or theory index with passed Data1D/Data2D """ if self.data_is_loaded: if not fitted_data.name: name = self.nameForFittedData(self.data.filename) fitted_data.title = name fitted_data.name = name fitted_data.filename = name fitted_data.symbol = "Line" self.updateModelIndex(fitted_data) else: name = self.nameForFittedData(self.kernel_module.name) fitted_data.title = name fitted_data.name = name fitted_data.filename = name fitted_data.symbol = "Line" self.createTheoryIndex(fitted_data) def updateModelIndex(self, fitted_data): """ Update a QStandardModelIndex containing model data """ if fitted_data.name is None: name = self.nameForFittedData(self.logic.data.filename) fitted_data.title = name fitted_data.name = name else: name = fitted_data.name # Make this a line if no other defined if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None: fitted_data.symbol = 'Line' # Notify the GUI manager so it can update the main model in DataExplorer GuiUtils.updateModelItemWithPlot(self._index, QtCore.QVariant(fitted_data), name) def createTheoryIndex(self, fitted_data): """ Create a QStandardModelIndex containing model data """ if fitted_data.name is None: name = self.nameForFittedData(self.kernel_module.name) fitted_data.title = name fitted_data.name = name fitted_data.filename = name else: name = fitted_data.name # Notify the GUI manager so it can create the theory model in DataExplorer new_item = GuiUtils.createModelItemWithPlot(QtCore.QVariant(fitted_data), name=name) self.communicate.updateTheoryFromPerspectiveSignal.emit(new_item) def methodCalculateForData(self): '''return the method for data calculation''' return Calc1D if isinstance(self.data, Data1D) else Calc2D def methodCompleteForData(self): '''return the method for result parsin on calc complete ''' return self.complete1D if isinstance(self.data, Data1D) else self.complete2D def calculateQGridForModel(self): """ Prepare the fitting data object, based on current ModelModel """ # Awful API to a backend method. method = self.methodCalculateForData()(data=self.data, model=self.kernel_module, page_id=0, qmin=self.q_range_min, qmax=self.q_range_max, smearer=None, state=None, weight=None, fid=None, toggle_mode_on=False, completefn=None, update_chisqr=True, exception_handler=self.calcException, source=None) calc_thread = threads.deferToThread(method.compute) calc_thread.addCallback(self.methodCompleteForData()) def complete1D(self, return_data): """ Plot the current 1D data """ fitted_plot = self.logic.new1DPlot(return_data, self.tab_id) self.calculateResiduals(fitted_plot) def complete2D(self, return_data): """ Plot the current 2D data """ fitted_data = self.logic.new2DPlot(return_data) self.calculateResiduals(fitted_data) def calculateResiduals(self, fitted_data): """ Calculate and print Chi2 and display chart of residuals """ # Create a new index for holding data fitted_data.symbol = "Line" self.createNewIndex(fitted_data) # Calculate difference between return_data and logic.data chi2 = FittingUtilities.calculateChi2(fitted_data, self.logic.data) # Update the control chi2_repr = "---" if chi2 is None else GuiUtils.formatNumber(chi2, high=True) self.lblChi2Value.setText(chi2_repr) # Plot residuals if actual data if self.data_is_loaded: residuals_plot = FittingUtilities.plotResiduals(self.data, fitted_data) residuals_plot.id = "Residual " + residuals_plot.id self.createNewIndex(residuals_plot) self.communicate.plotUpdateSignal.emit([residuals_plot]) self.communicate.plotUpdateSignal.emit([fitted_data]) def calcException(self, etype, value, tb): """ Something horrible happened in the deferred. """ logging.error("".join(traceback.format_exception(etype, value, tb))) def setTableProperties(self, table): """ Setting table properties """ # Table properties table.verticalHeader().setVisible(False) table.setAlternatingRowColors(True) table.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) table.setSelectionBehavior(QtGui.QAbstractItemView.SelectRows) table.resizeColumnsToContents() # Header header = table.horizontalHeader() header.setResizeMode(QtGui.QHeaderView.ResizeToContents) header.ResizeMode(QtGui.QHeaderView.Interactive) # Resize column 0 and 6 to content header.setResizeMode(0, QtGui.QHeaderView.ResizeToContents) header.setResizeMode(6, QtGui.QHeaderView.ResizeToContents) def setPolyModel(self): """ Set polydispersity values """ if not self.model_parameters: return self._poly_model.clear() for row, param in enumerate(self.model_parameters.form_volume_parameters): # Counters should not be included if not param.polydisperse: continue # Potential multishell params checked_list = ["Distribution of "+param.name, str(param.default), str(param.limits[0]), str(param.limits[1]), "35", "3", ""] FittingUtilities.addCheckedListToModel(self._poly_model, checked_list) #TODO: Need to find cleaner way to input functions func = QtGui.QComboBox() func.addItems(['rectangle', 'array', 'lognormal', 'gaussian', 'schulz',]) func_index = self.lstPoly.model().index(row, 6) self.lstPoly.setIndexWidget(func_index, func) FittingUtilities.addPolyHeadersToModel(self._poly_model) def setMagneticModel(self): """ Set magnetism values on model """ if not self.model_parameters: return self._magnet_model.clear() for param in self.model_parameters.call_parameters: if param.type != "magnetic": continue checked_list = [param.name, str(param.default), str(param.limits[0]), str(param.limits[1]), param.units] FittingUtilities.addCheckedListToModel(self._magnet_model, checked_list) FittingUtilities.addHeadersToModel(self._magnet_model) def addStructureFactor(self): """ Add structure factors to the list of parameters """ if self.kernel_module.is_form_factor: self.enableStructureCombo() else: self.disableStructureCombo() def addExtraShells(self): """ Add a combobox for multiple shell display """ param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters) if param_length == 0: return # cell 1: variable name item1 = QtGui.QStandardItem(param_name) func = QtGui.QComboBox() # Available range of shells displayed in the combobox func.addItems([str(i) for i in xrange(param_length+1)]) # Respond to index change func.currentIndexChanged.connect(self.modifyShellsInList) # cell 2: combobox item2 = QtGui.QStandardItem() self._model_model.appendRow([item1, item2]) # Beautify the row: span columns 2-4 shell_row = self._model_model.rowCount() shell_index = self._model_model.index(shell_row-1, 1) self.lstParams.setIndexWidget(shell_index, func) self._last_model_row = self._model_model.rowCount() # Set the index to the state-kept value func.setCurrentIndex(self.current_shell_displayed if self.current_shell_displayed < func.count() else 0) def modifyShellsInList(self, index): """ Add/remove additional multishell parameters """ # Find row location of the combobox last_row = self._last_model_row remove_rows = self._model_model.rowCount() - last_row if remove_rows > 1: self._model_model.removeRows(last_row, remove_rows) FittingUtilities.addShellsToModel(self.model_parameters, self._model_model, index) self.current_shell_displayed = index