import json import os from collections import defaultdict from itertools import izip import logging import traceback from twisted.internet import threads import numpy as np from PyQt4 import QtGui from PyQt4 import QtCore from PyQt4 import QtWebKit 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.Utilities.GuiUtils as GuiUtils from sas.sasgui.perspectives.fitting.model_thread import Calc1D from sas.sasgui.perspectives.fitting.model_thread import Calc2D from sas.sasgui.perspectives.fitting.utils import get_weight from sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI import Ui_FittingWidgetUI from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic from sas.qtgui.Perspectives.Fitting import FittingUtilities from sas.qtgui.Perspectives.Fitting.SmearingWidget import SmearingWidget from sas.qtgui.Perspectives.Fitting.OptionsWidget import OptionsWidget from sas.qtgui.Perspectives.Fitting.FitPage import FitPage from sas.qtgui.Perspectives.Fitting.ViewDelegate import ModelViewDelegate from sas.qtgui.Perspectives.Fitting.ViewDelegate import PolyViewDelegate TAB_MAGNETISM = 4 TAB_POLY = 3 CATEGORY_DEFAULT = "Choose category..." CATEGORY_STRUCTURE = "Structure Factor" STRUCTURE_DEFAULT = "None" class FittingWidget(QtGui.QWidget, Ui_FittingWidgetUI): """ Main widget for selecting form and structure factor models """ def __init__(self, parent=None, data=None, tab_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 # Fit options self.q_range_min = 0.005 self.q_range_max = 0.1 self.npts = 25 self.log_points = False self.weighting = 0 self.chi2 = None # Does the control support UNDO/REDO # temporarily off self.undo_supported = False self.page_stack = [] # Data for chosen model self.model_data = None # Which tab is this widget displayed in? self.tab_id = tab_id # Which shell is being currently displayed? self.current_shell_displayed = 0 self.has_error_column = False # 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 # Options widget layout = QtGui.QGridLayout() self.options_widget = OptionsWidget(self, self.logic) layout.addWidget(self.options_widget) self.tabOptions.setLayout(layout) # Smearing widget layout = QtGui.QGridLayout() self.smearing_widget = SmearingWidget(self) layout.addWidget(self.smearing_widget) self.tabResolution.setLayout(layout) # 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 # Delegates for custom editing and display self.lstParams.setItemDelegate(ModelViewDelegate(self)) self.lstParams.setAlternatingRowColors(True) stylesheet = """ QTreeView{ alternate-background-color: #f6fafb; background: #e8f4fc; } """ self.lstParams.setStyleSheet(stylesheet) self.lstParams.setContextMenuPolicy(QtCore.Qt.CustomContextMenu) self.lstParams.customContextMenuRequested.connect(self.showModelDescription) # Poly model displayed in poly list self.lstPoly.setModel(self._poly_model) self.setPolyModel() self.setTableProperties(self.lstPoly) # Delegates for custom editing and display self.lstPoly.setItemDelegate(PolyViewDelegate(self)) # 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() # Display HTML content self.helpView = QtWebKit.QWebView() self._index = None if data is not None: self.data = data def close(self): """ Remember to kill off things on exit """ self.helpView.close() del self.helpView @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) # Overwrite data type descriptor self.is2D = True if isinstance(self.logic.data, Data2D) else False self.data_is_loaded = True # Enable/disable UI components self.setEnablementOnDataLoad() def setEnablementOnDataLoad(self): """ Enable/disable various UI elements based on data loaded """ # Tag along functionality self.label.setText("Data loaded from: ") self.lblFilename.setText(self.logic.data.filename) self.updateQRange() # Switch off Data2D control self.chk2DView.setEnabled(False) self.chk2DView.setVisible(False) self.chkMagnetism.setEnabled(True) # Similarly on other tabs self.options_widget.setEnablementOnDataLoad() # Smearing tab self.smearing_widget.updateSmearing(self.data) 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 if self.kernel_module: self.onSelectModel() def initializeControls(self): """ Set initial control enablement """ self.cmdFit.setEnabled(False) self.cmdPlot.setEnabled(False) self.options_widget.cmdComputePoints.setVisible(False) # probably redundant 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("---") # Smearing tab self.smearing_widget.updateSmearing(self.data) # Line edits in the option tab self.updateQRange() 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) self.cmdHelp.clicked.connect(self.onHelp) # 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) # Signals from separate tabs asking for replot self.options_widget.plot_signal.connect(self.onOptionsUpdate) def showModelDescription(self, position): """ Shows a window with model description, when right clicked in the treeview """ msg = 'Model description:\n' if self.kernel_module is not None: if str(self.kernel_module.description).rstrip().lstrip() == '': msg += "Sorry, no information is available for this model." else: msg += self.kernel_module.description + '\n' else: msg += "You must select a model to get information on this" menu = QtGui.QMenu() label = QtGui.QLabel(msg) action = QtGui.QWidgetAction(self) action.setDefaultWidget(label) menu.addAction(action) menu.exec_(self.lstParams.viewport().mapToGlobal(position)) 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 # Set enablement on calculate/plot self.cmdPlot.setEnabled(True) # SasModel -> QModel self.SASModelToQModel(model) if self.data_is_loaded: self.cmdPlot.setText("Show Plot") self.calculateQGridForModel() else: self.cmdPlot.setText("Calculate") # Create default datasets if no data passed self.createDefaultDataset() # Update state stack self.updateUndo() 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] # 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 # TODO: abstract away hardcoded column numbers if model_column == 0: # Is the parameter checked for fitting? value = item.checkState() # TODO: add the param to self.params_for_fitting elif model_column == 6: value = item.text() # TODO: Modify Npts/Nsigs based on function choice 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 onHelp(self): """ Show the "Fitting" section of help """ tree_location = self.parent.HELP_DIRECTORY_LOCATION +\ "/user/sasgui/perspectives/fitting/fitting_help.html" self.helpView.load(QtCore.QUrl(tree_location)) self.helpView.show() 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 # Potential weights added directly to data self.addWeightingToData(data) # Potential smearing added # Remember that smearing_min/max can be None -> # deal with it until Python gets discriminated unions smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() # 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) calc_thread.addErrback(self.fitFailed) #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 fitFailed(self, reason): """ """ print "FIT FAILED: ", reason 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 np.isfinite(res.fitness) or \ np.any(res.pvec is None) or \ not np.all(np.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) self.chi2 = 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(self.chi2, 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) # block signals temporarily, so we don't end up # updating charts with every single model change on the end of fitting self._model_model.blockSignals(True) self.iterateOverModel(updateFittedValues) self._model_model.blockSignals(False) 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 """ # Regardless of previous state, this should now be `plot show` functionality only self.cmdPlot.setText("Show Plot") if not self.data_is_loaded: self.recalculatePlotData() self.showPlot() def recalculatePlotData(self): """ Generate a new dataset for model """ if not self.data_is_loaded: self.createDefaultDataset() self.calculateQGridForModel() def showPlot(self): """ Show the current plot in MPL """ # Show the chart if ready data_to_show = self.data if self.data_is_loaded else self.model_data if data_to_show is not None: self.communicate.plotRequestedSignal.emit([data_to_show]) def onOptionsUpdate(self): """ Update local option values and replot """ self.q_range_min, self.q_range_max, self.npts, self.log_points, self.weighting = \ self.options_widget.state() # set Q range labels on the main tab self.lblMinRangeDef.setText(str(self.q_range_min)) self.lblMaxRangeDef.setText(str(self.q_range_max)) self.recalculatePlotData() 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/np.sqrt(2) qstep = self.npts self.logic.createDefault2dData(qmax, qstep, self.tab_id) return elif self.log_points: qmin = -10.0 if self.q_range_min < 1.e-10 else np.log10(self.q_range_min) qmax = 10.0 if self.q_range_max > 1.e10 else np.log10(self.q_range_max) interval = np.logspace(start=qmin, stop=qmax, num=self.npts, endpoint=True, base=10.0) else: interval = np.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) last_row = model.rowCount()-1 model.item(last_row, 0).setEditable(False) model.item(last_row, 4).setEditable(False) 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) last_row = model.rowCount()-1 model.item(last_row, 0).setEditable(False) model.item(last_row, 4).setEditable(False) def addWeightingToData(self, data): """ Adds weighting contribution to fitting data """ # Send original data for weighting weight = get_weight(data=data, is2d=self.is2D, flag=self.weighting) update_module = data.err_data if self.is2D else data.dy update_module = weight 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.options_widget.updateQRange(self.q_range_min, self.q_range_max, 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) self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded) return model_row = item.row() name_index = self._model_model.index(model_row, 0) # Extract changed value. Assumes proper validation by QValidator/Delegate try: value = float(item.text()) except ValueError: # Unparsable field return parameter_name = str(self._model_model.data(name_index).toPyObject()) # sld, background etc. property_index = self._model_model.headerData(1, model_column).toInt()[0]-1 # Value, min, max, etc. # Update the parameter value - note: this supports +/-inf as well self.kernel_module.params[parameter_name] = value # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf] self.kernel_module.details[parameter_name][property_index] = value # TODO: magnetic params in self.kernel_module.details['M0:parameter_name'] = value # TODO: multishell params in self.kernel_module.details[??] = value # Force the chart update when actual parameters changed if model_column == 1: self.recalculatePlotData() # Update state stack self.updateUndo() 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 _ = [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 """ name = self.nameFromData(fitted_data) # 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 """ name = self.nameFromData(fitted_data) # 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 nameFromData(self, fitted_data): """ Return name for the dataset. Terribly impure function. """ if fitted_data.name is None: name = self.nameForFittedData(self.logic.data.filename) fitted_data.title = name fitted_data.name = name fitted_data.filename = name else: name = fitted_data.name return name 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 """ if self.kernel_module is None: return # 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_data = self.logic.new1DPlot(return_data, self.tab_id) self.calculateResiduals(fitted_data) self.model_data = fitted_data def complete2D(self, return_data): """ Plot the current 2D data """ fitted_data = self.logic.new2DPlot(return_data) self.calculateResiduals(fitted_data) self.model_data = 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 self.chi2 = FittingUtilities.calculateChi2(fitted_data, self.logic.data) # Update the control chi2_repr = "---" if self.chi2 is None else GuiUtils.formatNumber(self.chi2, high=True) self.lblChi2Value.setText(chi2_repr) self.communicate.plotUpdateSignal.emit([fitted_data]) # 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]) 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", "gaussian"] 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 def readFitPage(self, fp): """ Read in state from a fitpage object and update GUI """ assert isinstance(fp, FitPage) # Main tab info self.logic.data.filename = fp.filename self.data_is_loaded = fp.data_is_loaded self.chkPolydispersity.setCheckState(fp.is_polydisperse) self.chkMagnetism.setCheckState(fp.is_magnetic) self.chk2DView.setCheckState(fp.is2D) # Update the comboboxes self.cbCategory.setCurrentIndex(self.cbCategory.findText(fp.current_category)) self.cbModel.setCurrentIndex(self.cbModel.findText(fp.current_model)) if fp.current_factor: self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(fp.current_factor)) self.chi2 = fp.chi2 # Options tab self.q_range_min = fp.fit_options[fp.MIN_RANGE] self.q_range_max = fp.fit_options[fp.MAX_RANGE] self.npts = fp.fit_options[fp.NPTS] self.log_points = fp.fit_options[fp.LOG_POINTS] self.weighting = fp.fit_options[fp.WEIGHTING] # Models self._model_model = fp.model_model self._poly_model = fp.poly_model self._magnet_model = fp.magnetism_model # Resolution tab smearing = fp.smearing_options[fp.SMEARING_OPTION] accuracy = fp.smearing_options[fp.SMEARING_ACCURACY] smearing_min = fp.smearing_options[fp.SMEARING_MIN] smearing_max = fp.smearing_options[fp.SMEARING_MAX] self.smearing_widget.setState(smearing, accuracy, smearing_min, smearing_max) # TODO: add polidyspersity and magnetism def saveToFitPage(self, fp): """ Write current state to the given fitpage """ assert isinstance(fp, FitPage) # Main tab info fp.filename = self.logic.data.filename fp.data_is_loaded = self.data_is_loaded fp.is_polydisperse = self.chkPolydispersity.isChecked() fp.is_magnetic = self.chkMagnetism.isChecked() fp.is2D = self.chk2DView.isChecked() fp.data = self.data # Use current models - they contain all the required parameters fp.model_model = self._model_model fp.poly_model = self._poly_model fp.magnetism_model = self._magnet_model if self.cbCategory.currentIndex() != 0: fp.current_category = str(self.cbCategory.currentText()) fp.current_model = str(self.cbModel.currentText()) if self.cbStructureFactor.isEnabled() and self.cbStructureFactor.currentIndex() != 0: fp.current_factor = str(self.cbStructureFactor.currentText()) else: fp.current_factor = '' fp.chi2 = self.chi2 fp.parameters_to_fit = self.parameters_to_fit # Options tab fp.fit_options[fp.MIN_RANGE] = self.q_range_min fp.fit_options[fp.MAX_RANGE] = self.q_range_max fp.fit_options[fp.NPTS] = self.npts #fp.fit_options[fp.NPTS_FIT] = self.npts_fit fp.fit_options[fp.LOG_POINTS] = self.log_points fp.fit_options[fp.WEIGHTING] = self.weighting # Resolution tab smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() fp.smearing_options[fp.SMEARING_OPTION] = smearing fp.smearing_options[fp.SMEARING_ACCURACY] = accuracy fp.smearing_options[fp.SMEARING_MIN] = smearing_min fp.smearing_options[fp.SMEARING_MAX] = smearing_max # TODO: add polidyspersity and magnetism def updateUndo(self): """ Create a new state page and add it to the stack """ if self.undo_supported: self.pushFitPage(self.currentState()) def currentState(self): """ Return fit page with current state """ new_page = FitPage() self.saveToFitPage(new_page) return new_page def pushFitPage(self, new_page): """ Add a new fit page object with current state """ self.page_stack.append(new_page) pass def popFitPage(self): """ Remove top fit page from stack """ if self.page_stack: self.page_stack.pop() pass