source: sasview/src/sas/qtgui/Perspectives/Fitting/FittingWidget.py @ 5b144c6

ESS_GUIESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalc
Last change on this file since 5b144c6 was 5b144c6, checked in by Piotr Rozyczko <rozyczko@…>, 8 months ago

Clumsy fix to the single-data, multi-fitpage plotting issue SASVIEW-1018.
Fixed tests after replacing plot_dict indexing from .id to .name

  • Property mode set to 100644
File size: 128.2 KB
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1import json
2import os
3from collections import defaultdict
4
5import copy
6import logging
7import traceback
8from twisted.internet import threads
9import numpy as np
10import webbrowser
11
12from PyQt5 import QtCore
13from PyQt5 import QtGui
14from PyQt5 import QtWidgets
15
16from sasmodels import generate
17from sasmodels import modelinfo
18from sasmodels.sasview_model import load_standard_models
19from sasmodels.sasview_model import MultiplicationModel
20from sasmodels.weights import MODELS as POLYDISPERSITY_MODELS
21
22from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit
23from sas.sascalc.fit.pagestate import PageState
24
25import sas.qtgui.Utilities.GuiUtils as GuiUtils
26import sas.qtgui.Utilities.LocalConfig as LocalConfig
27from sas.qtgui.Utilities.CategoryInstaller import CategoryInstaller
28from sas.qtgui.Plotting.PlotterData import Data1D
29from sas.qtgui.Plotting.PlotterData import Data2D
30
31from sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI import Ui_FittingWidgetUI
32from sas.qtgui.Perspectives.Fitting.FitThread import FitThread
33from sas.qtgui.Perspectives.Fitting.ConsoleUpdate import ConsoleUpdate
34
35from sas.qtgui.Perspectives.Fitting.ModelThread import Calc1D
36from sas.qtgui.Perspectives.Fitting.ModelThread import Calc2D
37from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic
38from sas.qtgui.Perspectives.Fitting import FittingUtilities
39from sas.qtgui.Perspectives.Fitting import ModelUtilities
40from sas.qtgui.Perspectives.Fitting.SmearingWidget import SmearingWidget
41from sas.qtgui.Perspectives.Fitting.OptionsWidget import OptionsWidget
42from sas.qtgui.Perspectives.Fitting.FitPage import FitPage
43from sas.qtgui.Perspectives.Fitting.ViewDelegate import ModelViewDelegate
44from sas.qtgui.Perspectives.Fitting.ViewDelegate import PolyViewDelegate
45from sas.qtgui.Perspectives.Fitting.ViewDelegate import MagnetismViewDelegate
46from sas.qtgui.Perspectives.Fitting.Constraint import Constraint
47from sas.qtgui.Perspectives.Fitting.MultiConstraint import MultiConstraint
48from sas.qtgui.Perspectives.Fitting.ReportPageLogic import ReportPageLogic
49
50TAB_MAGNETISM = 4
51TAB_POLY = 3
52CATEGORY_DEFAULT = "Choose category..."
53CATEGORY_STRUCTURE = "Structure Factor"
54CATEGORY_CUSTOM = "Plugin Models"
55STRUCTURE_DEFAULT = "None"
56
57DEFAULT_POLYDISP_FUNCTION = 'gaussian'
58
59
60logger = logging.getLogger(__name__)
61
62class ToolTippedItemModel(QtGui.QStandardItemModel):
63    """
64    Subclass from QStandardItemModel to allow displaying tooltips in
65    QTableView model.
66    """
67    def __init__(self, parent=None):
68        QtGui.QStandardItemModel.__init__(self, parent)
69
70    def headerData(self, section, orientation, role=QtCore.Qt.DisplayRole):
71        """
72        Displays tooltip for each column's header
73        :param section:
74        :param orientation:
75        :param role:
76        :return:
77        """
78        if role == QtCore.Qt.ToolTipRole:
79            if orientation == QtCore.Qt.Horizontal:
80                return str(self.header_tooltips[section])
81
82        return QtGui.QStandardItemModel.headerData(self, section, orientation, role)
83
84class FittingWidget(QtWidgets.QWidget, Ui_FittingWidgetUI):
85    """
86    Main widget for selecting form and structure factor models
87    """
88    constraintAddedSignal = QtCore.pyqtSignal(list)
89    newModelSignal = QtCore.pyqtSignal()
90    fittingFinishedSignal = QtCore.pyqtSignal(tuple)
91    batchFittingFinishedSignal = QtCore.pyqtSignal(tuple)
92    Calc1DFinishedSignal = QtCore.pyqtSignal(dict)
93    Calc2DFinishedSignal = QtCore.pyqtSignal(dict)
94
95    def __init__(self, parent=None, data=None, tab_id=1):
96
97        super(FittingWidget, self).__init__()
98
99        # Necessary globals
100        self.parent = parent
101
102        # Which tab is this widget displayed in?
103        self.tab_id = tab_id
104
105        # Globals
106        self.initializeGlobals()
107
108        # data index for the batch set
109        self.data_index = 0
110        # Main Data[12]D holders
111        # Logics.data contains a single Data1D/Data2D object
112        self._logic = [FittingLogic()]
113
114        # Main GUI setup up
115        self.setupUi(self)
116        self.setWindowTitle("Fitting")
117
118        # Set up tabs widgets
119        self.initializeWidgets()
120
121        # Set up models and views
122        self.initializeModels()
123
124        # Defaults for the structure factors
125        self.setDefaultStructureCombo()
126
127        # Make structure factor and model CBs disabled
128        self.disableModelCombo()
129        self.disableStructureCombo()
130
131        # Generate the category list for display
132        self.initializeCategoryCombo()
133
134        # Initial control state
135        self.initializeControls()
136
137        QtWidgets.QApplication.processEvents()
138
139        # Connect signals to controls
140        self.initializeSignals()
141
142        if data is not None:
143            self.data = data
144
145        # New font to display angstrom symbol
146        new_font = 'font-family: -apple-system, "Helvetica Neue", "Ubuntu";'
147        self.label_17.setStyleSheet(new_font)
148        self.label_19.setStyleSheet(new_font)
149
150    @property
151    def logic(self):
152        # make sure the logic contains at least one element
153        assert self._logic
154        # logic connected to the currently shown data
155        return self._logic[self.data_index]
156
157    @property
158    def data(self):
159        return self.logic.data
160
161    @data.setter
162    def data(self, value):
163        """ data setter """
164        # Value is either a list of indices for batch fitting or a simple index
165        # for standard fitting. Assure we have a list, regardless.
166        if isinstance(value, list):
167            self.is_batch_fitting = True
168        else:
169            value = [value]
170
171        assert isinstance(value[0], QtGui.QStandardItem)
172
173        # Keep reference to all datasets for batch
174        self.all_data = value
175
176        # Create logics with data items
177        # Logics.data contains only a single Data1D/Data2D object
178        if len(value) == 1:
179            # single data logic is already defined, update data on it
180            self._logic[0].data = GuiUtils.dataFromItem(value[0])
181        else:
182            # batch datasets
183            self._logic = []
184            for data_item in value:
185                logic = FittingLogic(data=GuiUtils.dataFromItem(data_item))
186                self._logic.append(logic)
187
188        # Overwrite data type descriptor
189
190        self.is2D = True if isinstance(self.logic.data, Data2D) else False
191
192        # Let others know we're full of data now
193        self.data_is_loaded = True
194
195        # Enable/disable UI components
196        self.setEnablementOnDataLoad()
197
198    def initializeGlobals(self):
199        """
200        Initialize global variables used in this class
201        """
202        # SasModel is loaded
203        self.model_is_loaded = False
204        # Data[12]D passed and set
205        self.data_is_loaded = False
206        # Batch/single fitting
207        self.is_batch_fitting = False
208        self.is_chain_fitting = False
209        # Is the fit job running?
210        self.fit_started = False
211        # The current fit thread
212        self.calc_fit = None
213        # Current SasModel in view
214        self.kernel_module = None
215        # Current SasModel view dimension
216        self.is2D = False
217        # Current SasModel is multishell
218        self.model_has_shells = False
219        # Utility variable to enable unselectable option in category combobox
220        self._previous_category_index = 0
221        # Utility variables for multishell display
222        self._n_shells_row = 0
223        self._num_shell_params = 0
224        # Dictionary of {model name: model class} for the current category
225        self.models = {}
226        # Parameters to fit
227        self.main_params_to_fit = []
228        self.poly_params_to_fit = []
229        self.magnet_params_to_fit = []
230
231        # Fit options
232        self.q_range_min = 0.005
233        self.q_range_max = 0.1
234        self.npts = 25
235        self.log_points = False
236        self.weighting = 0
237        self.chi2 = None
238        # Does the control support UNDO/REDO
239        # temporarily off
240        self.undo_supported = False
241        self.page_stack = []
242        self.all_data = []
243        # custom plugin models
244        # {model.name:model}
245        self.custom_models = self.customModels()
246        # Polydisp widget table default index for function combobox
247        self.orig_poly_index = 3
248        # copy of current kernel model
249        self.kernel_module_copy = None
250
251        # dictionaries of current params
252        self.poly_params = {}
253        self.magnet_params = {}
254
255        # Page id for fitting
256        # To keep with previous SasView values, use 200 as the start offset
257        self.page_id = 200 + self.tab_id
258
259        # Data for chosen model
260        self.model_data = None
261
262        # Which shell is being currently displayed?
263        self.current_shell_displayed = 0
264        # List of all shell-unique parameters
265        self.shell_names = []
266
267        # Error column presence in parameter display
268        self.has_error_column = False
269        self.has_poly_error_column = False
270        self.has_magnet_error_column = False
271
272        # If the widget generated theory item, save it
273        self.theory_item = None
274
275        # signal communicator
276        self.communicate = self.parent.communicate
277
278    def initializeWidgets(self):
279        """
280        Initialize widgets for tabs
281        """
282        # Options widget
283        layout = QtWidgets.QGridLayout()
284        self.options_widget = OptionsWidget(self, self.logic)
285        layout.addWidget(self.options_widget)
286        self.tabOptions.setLayout(layout)
287
288        # Smearing widget
289        layout = QtWidgets.QGridLayout()
290        self.smearing_widget = SmearingWidget(self)
291        layout.addWidget(self.smearing_widget)
292        self.tabResolution.setLayout(layout)
293
294        # Define bold font for use in various controls
295        self.boldFont = QtGui.QFont()
296        self.boldFont.setBold(True)
297
298        # Set data label
299        self.label.setFont(self.boldFont)
300        self.label.setText("No data loaded")
301        self.lblFilename.setText("")
302
303        # Magnetic angles explained in one picture
304        self.magneticAnglesWidget = QtWidgets.QWidget()
305        labl = QtWidgets.QLabel(self.magneticAnglesWidget)
306        pixmap = QtGui.QPixmap(GuiUtils.IMAGES_DIRECTORY_LOCATION + '/M_angles_pic.bmp')
307        labl.setPixmap(pixmap)
308        self.magneticAnglesWidget.setFixedSize(pixmap.width(), pixmap.height())
309
310    def initializeModels(self):
311        """
312        Set up models and views
313        """
314        # Set the main models
315        # We can't use a single model here, due to restrictions on flattening
316        # the model tree with subclassed QAbstractProxyModel...
317        self._model_model = ToolTippedItemModel()
318        self._poly_model = ToolTippedItemModel()
319        self._magnet_model = ToolTippedItemModel()
320
321        # Param model displayed in param list
322        self.lstParams.setModel(self._model_model)
323        self.readCategoryInfo()
324
325        self.model_parameters = None
326
327        # Delegates for custom editing and display
328        self.lstParams.setItemDelegate(ModelViewDelegate(self))
329
330        self.lstParams.setAlternatingRowColors(True)
331        stylesheet = """
332
333            QTreeView {
334                paint-alternating-row-colors-for-empty-area:0;
335            }
336
337            QTreeView::item {
338                border: 1px;
339                padding: 2px 1px;
340            }
341
342            QTreeView::item:hover {
343                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #e7effd, stop: 1 #cbdaf1);
344                border: 1px solid #bfcde4;
345            }
346
347            QTreeView::item:selected {
348                border: 1px solid #567dbc;
349            }
350
351            QTreeView::item:selected:active{
352                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6ea1f1, stop: 1 #567dbc);
353            }
354
355            QTreeView::item:selected:!active {
356                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6b9be8, stop: 1 #577fbf);
357            }
358           """
359        self.lstParams.setStyleSheet(stylesheet)
360        self.lstParams.setContextMenuPolicy(QtCore.Qt.CustomContextMenu)
361        self.lstParams.customContextMenuRequested.connect(self.showModelContextMenu)
362        self.lstParams.setAttribute(QtCore.Qt.WA_MacShowFocusRect, False)
363        # Poly model displayed in poly list
364        self.lstPoly.setModel(self._poly_model)
365        self.setPolyModel()
366        self.setTableProperties(self.lstPoly)
367        # Delegates for custom editing and display
368        self.lstPoly.setItemDelegate(PolyViewDelegate(self))
369        # Polydispersity function combo response
370        self.lstPoly.itemDelegate().combo_updated.connect(self.onPolyComboIndexChange)
371        self.lstPoly.itemDelegate().filename_updated.connect(self.onPolyFilenameChange)
372
373        # Magnetism model displayed in magnetism list
374        self.lstMagnetic.setModel(self._magnet_model)
375        self.setMagneticModel()
376        self.setTableProperties(self.lstMagnetic)
377        # Delegates for custom editing and display
378        self.lstMagnetic.setItemDelegate(MagnetismViewDelegate(self))
379
380    def initializeCategoryCombo(self):
381        """
382        Model category combo setup
383        """
384        category_list = sorted(self.master_category_dict.keys())
385        self.cbCategory.addItem(CATEGORY_DEFAULT)
386        self.cbCategory.addItems(category_list)
387        if CATEGORY_STRUCTURE not in category_list:
388            self.cbCategory.addItem(CATEGORY_STRUCTURE)
389        self.cbCategory.setCurrentIndex(0)
390
391    def setEnablementOnDataLoad(self):
392        """
393        Enable/disable various UI elements based on data loaded
394        """
395        # Tag along functionality
396        self.label.setText("Data loaded from: ")
397        if self.logic.data.filename:
398            self.lblFilename.setText(self.logic.data.filename)
399        else:
400            self.lblFilename.setText(self.logic.data.name)
401        self.updateQRange()
402        # Switch off Data2D control
403        self.chk2DView.setEnabled(False)
404        self.chk2DView.setVisible(False)
405        self.chkMagnetism.setEnabled(self.is2D)
406        self.tabFitting.setTabEnabled(TAB_MAGNETISM, self.chkMagnetism.isChecked())
407        # Combo box or label for file name"
408        if self.is_batch_fitting:
409            self.lblFilename.setVisible(False)
410            for dataitem in self.all_data:
411                filename = GuiUtils.dataFromItem(dataitem).filename
412                self.cbFileNames.addItem(filename)
413            self.cbFileNames.setVisible(True)
414            self.chkChainFit.setEnabled(True)
415            self.chkChainFit.setVisible(True)
416            # This panel is not designed to view individual fits, so disable plotting
417            self.cmdPlot.setVisible(False)
418        # Similarly on other tabs
419        self.options_widget.setEnablementOnDataLoad()
420        self.onSelectModel()
421        # Smearing tab
422        self.smearing_widget.updateData(self.data)
423
424    def acceptsData(self):
425        """ Tells the caller this widget can accept new dataset """
426        return not self.data_is_loaded
427
428    def disableModelCombo(self):
429        """ Disable the combobox """
430        self.cbModel.setEnabled(False)
431        self.lblModel.setEnabled(False)
432
433    def enableModelCombo(self):
434        """ Enable the combobox """
435        self.cbModel.setEnabled(True)
436        self.lblModel.setEnabled(True)
437
438    def disableStructureCombo(self):
439        """ Disable the combobox """
440        self.cbStructureFactor.setEnabled(False)
441        self.lblStructure.setEnabled(False)
442
443    def enableStructureCombo(self):
444        """ Enable the combobox """
445        self.cbStructureFactor.setEnabled(True)
446        self.lblStructure.setEnabled(True)
447
448    def togglePoly(self, isChecked):
449        """ Enable/disable the polydispersity tab """
450        self.tabFitting.setTabEnabled(TAB_POLY, isChecked)
451
452    def toggleMagnetism(self, isChecked):
453        """ Enable/disable the magnetism tab """
454        self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked)
455
456    def toggleChainFit(self, isChecked):
457        """ Enable/disable chain fitting """
458        self.is_chain_fitting = isChecked
459
460    def toggle2D(self, isChecked):
461        """ Enable/disable the controls dependent on 1D/2D data instance """
462        self.chkMagnetism.setEnabled(isChecked)
463        self.is2D = isChecked
464        # Reload the current model
465        if self.kernel_module:
466            self.onSelectModel()
467
468    @classmethod
469    def customModels(cls):
470        """ Reads in file names in the custom plugin directory """
471        return ModelUtilities._find_models()
472
473    def initializeControls(self):
474        """
475        Set initial control enablement
476        """
477        self.cbFileNames.setVisible(False)
478        self.cmdFit.setEnabled(False)
479        self.cmdPlot.setEnabled(False)
480        self.options_widget.cmdComputePoints.setVisible(False) # probably redundant
481        self.chkPolydispersity.setEnabled(True)
482        self.chkPolydispersity.setCheckState(False)
483        self.chk2DView.setEnabled(True)
484        self.chk2DView.setCheckState(False)
485        self.chkMagnetism.setEnabled(False)
486        self.chkMagnetism.setCheckState(False)
487        self.chkChainFit.setEnabled(False)
488        self.chkChainFit.setVisible(False)
489        # Tabs
490        self.tabFitting.setTabEnabled(TAB_POLY, False)
491        self.tabFitting.setTabEnabled(TAB_MAGNETISM, False)
492        self.lblChi2Value.setText("---")
493        # Smearing tab
494        self.smearing_widget.updateData(self.data)
495        # Line edits in the option tab
496        self.updateQRange()
497
498    def initializeSignals(self):
499        """
500        Connect GUI element signals
501        """
502        # Comboboxes
503        self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor)
504        self.cbCategory.currentIndexChanged.connect(self.onSelectCategory)
505        self.cbModel.currentIndexChanged.connect(self.onSelectModel)
506        self.cbFileNames.currentIndexChanged.connect(self.onSelectBatchFilename)
507        # Checkboxes
508        self.chk2DView.toggled.connect(self.toggle2D)
509        self.chkPolydispersity.toggled.connect(self.togglePoly)
510        self.chkMagnetism.toggled.connect(self.toggleMagnetism)
511        self.chkChainFit.toggled.connect(self.toggleChainFit)
512        # Buttons
513        self.cmdFit.clicked.connect(self.onFit)
514        self.cmdPlot.clicked.connect(self.onPlot)
515        self.cmdHelp.clicked.connect(self.onHelp)
516        self.cmdMagneticDisplay.clicked.connect(self.onDisplayMagneticAngles)
517
518        # Respond to change in parameters from the UI
519        self._model_model.itemChanged.connect(self.onMainParamsChange)
520        #self.constraintAddedSignal.connect(self.modifyViewOnConstraint)
521        self._poly_model.itemChanged.connect(self.onPolyModelChange)
522        self._magnet_model.itemChanged.connect(self.onMagnetModelChange)
523        self.lstParams.selectionModel().selectionChanged.connect(self.onSelectionChanged)
524
525        # Local signals
526        self.batchFittingFinishedSignal.connect(self.batchFitComplete)
527        self.fittingFinishedSignal.connect(self.fitComplete)
528        self.Calc1DFinishedSignal.connect(self.complete1D)
529        self.Calc2DFinishedSignal.connect(self.complete2D)
530
531        # Signals from separate tabs asking for replot
532        self.options_widget.plot_signal.connect(self.onOptionsUpdate)
533
534        # Signals from other widgets
535        self.communicate.customModelDirectoryChanged.connect(self.onCustomModelChange)
536        self.communicate.saveAnalysisSignal.connect(self.savePageState)
537        self.smearing_widget.smearingChangedSignal.connect(self.onSmearingOptionsUpdate)
538        self.communicate.copyFitParamsSignal.connect(self.onParameterCopy)
539        self.communicate.pasteFitParamsSignal.connect(self.onParameterPaste)
540
541        # Communicator signal
542        self.communicate.updateModelCategoriesSignal.connect(self.onCategoriesChanged)
543
544    def modelName(self):
545        """
546        Returns model name, by default M<tab#>, e.g. M1, M2
547        """
548        return "M%i" % self.tab_id
549
550    def nameForFittedData(self, name):
551        """
552        Generate name for the current fit
553        """
554        if self.is2D:
555            name += "2d"
556        name = "%s [%s]" % (self.modelName(), name)
557        return name
558
559    def showModelContextMenu(self, position):
560        """
561        Show context specific menu in the parameter table.
562        When clicked on parameter(s): fitting/constraints options
563        When clicked on white space: model description
564        """
565        rows = [s.row() for s in self.lstParams.selectionModel().selectedRows()
566                if self.isCheckable(s.row())]
567        menu = self.showModelDescription() if not rows else self.modelContextMenu(rows)
568        try:
569            menu.exec_(self.lstParams.viewport().mapToGlobal(position))
570        except AttributeError as ex:
571            logging.error("Error generating context menu: %s" % ex)
572        return
573
574    def modelContextMenu(self, rows):
575        """
576        Create context menu for the parameter selection
577        """
578        menu = QtWidgets.QMenu()
579        num_rows = len(rows)
580        if num_rows < 1:
581            return menu
582        # Select for fitting
583        param_string = "parameter " if num_rows == 1 else "parameters "
584        to_string = "to its current value" if num_rows == 1 else "to their current values"
585        has_constraints = any([self.rowHasConstraint(i) for i in rows])
586
587        self.actionSelect = QtWidgets.QAction(self)
588        self.actionSelect.setObjectName("actionSelect")
589        self.actionSelect.setText(QtCore.QCoreApplication.translate("self", "Select "+param_string+" for fitting"))
590        # Unselect from fitting
591        self.actionDeselect = QtWidgets.QAction(self)
592        self.actionDeselect.setObjectName("actionDeselect")
593        self.actionDeselect.setText(QtCore.QCoreApplication.translate("self", "De-select "+param_string+" from fitting"))
594
595        self.actionConstrain = QtWidgets.QAction(self)
596        self.actionConstrain.setObjectName("actionConstrain")
597        self.actionConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain "+param_string + to_string))
598
599        self.actionRemoveConstraint = QtWidgets.QAction(self)
600        self.actionRemoveConstraint.setObjectName("actionRemoveConstrain")
601        self.actionRemoveConstraint.setText(QtCore.QCoreApplication.translate("self", "Remove constraint"))
602
603        self.actionMultiConstrain = QtWidgets.QAction(self)
604        self.actionMultiConstrain.setObjectName("actionMultiConstrain")
605        self.actionMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain selected parameters to their current values"))
606
607        self.actionMutualMultiConstrain = QtWidgets.QAction(self)
608        self.actionMutualMultiConstrain.setObjectName("actionMutualMultiConstrain")
609        self.actionMutualMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Mutual constrain of selected parameters..."))
610
611        menu.addAction(self.actionSelect)
612        menu.addAction(self.actionDeselect)
613        menu.addSeparator()
614
615        if has_constraints:
616            menu.addAction(self.actionRemoveConstraint)
617            #if num_rows == 1:
618            #    menu.addAction(self.actionEditConstraint)
619        else:
620            menu.addAction(self.actionConstrain)
621            if num_rows == 2:
622                menu.addAction(self.actionMutualMultiConstrain)
623
624        # Define the callbacks
625        self.actionConstrain.triggered.connect(self.addSimpleConstraint)
626        self.actionRemoveConstraint.triggered.connect(self.deleteConstraint)
627        self.actionMutualMultiConstrain.triggered.connect(self.showMultiConstraint)
628        self.actionSelect.triggered.connect(self.selectParameters)
629        self.actionDeselect.triggered.connect(self.deselectParameters)
630        return menu
631
632    def showMultiConstraint(self):
633        """
634        Show the constraint widget and receive the expression
635        """
636        selected_rows = self.lstParams.selectionModel().selectedRows()
637        # There have to be only two rows selected. The caller takes care of that
638        # but let's check the correctness.
639        assert len(selected_rows) == 2
640
641        params_list = [s.data() for s in selected_rows]
642        # Create and display the widget for param1 and param2
643        mc_widget = MultiConstraint(self, params=params_list)
644        if mc_widget.exec_() != QtWidgets.QDialog.Accepted:
645            return
646
647        constraint = Constraint()
648        c_text = mc_widget.txtConstraint.text()
649
650        # widget.params[0] is the parameter we're constraining
651        constraint.param = mc_widget.params[0]
652        # parameter should have the model name preamble
653        model_name = self.kernel_module.name
654        # param_used is the parameter we're using in constraining function
655        param_used = mc_widget.params[1]
656        # Replace param_used with model_name.param_used
657        updated_param_used = model_name + "." + param_used
658        new_func = c_text.replace(param_used, updated_param_used)
659        constraint.func = new_func
660        # Which row is the constrained parameter in?
661        row = self.getRowFromName(constraint.param)
662
663        # Create a new item and add the Constraint object as a child
664        self.addConstraintToRow(constraint=constraint, row=row)
665
666    def getRowFromName(self, name):
667        """
668        Given parameter name get the row number in self._model_model
669        """
670        for row in range(self._model_model.rowCount()):
671            row_name = self._model_model.item(row).text()
672            if row_name == name:
673                return row
674        return None
675
676    def getParamNames(self):
677        """
678        Return list of all parameters for the current model
679        """
680        return [self._model_model.item(row).text()
681                for row in range(self._model_model.rowCount())
682                if self.isCheckable(row)]
683
684    def modifyViewOnRow(self, row, font=None, brush=None):
685        """
686        Chage how the given row of the main model is shown
687        """
688        fields_enabled = False
689        if font is None:
690            font = QtGui.QFont()
691            fields_enabled = True
692        if brush is None:
693            brush = QtGui.QBrush()
694            fields_enabled = True
695        self._model_model.blockSignals(True)
696        # Modify font and foreground of affected rows
697        for column in range(0, self._model_model.columnCount()):
698            self._model_model.item(row, column).setForeground(brush)
699            self._model_model.item(row, column).setFont(font)
700            self._model_model.item(row, column).setEditable(fields_enabled)
701        self._model_model.blockSignals(False)
702
703    def addConstraintToRow(self, constraint=None, row=0):
704        """
705        Adds the constraint object to requested row
706        """
707        # Create a new item and add the Constraint object as a child
708        assert isinstance(constraint, Constraint)
709        assert 0 <= row <= self._model_model.rowCount()
710        assert self.isCheckable(row)
711
712        item = QtGui.QStandardItem()
713        item.setData(constraint)
714        self._model_model.item(row, 1).setChild(0, item)
715        # Set min/max to the value constrained
716        self.constraintAddedSignal.emit([row])
717        # Show visual hints for the constraint
718        font = QtGui.QFont()
719        font.setItalic(True)
720        brush = QtGui.QBrush(QtGui.QColor('blue'))
721        self.modifyViewOnRow(row, font=font, brush=brush)
722        self.communicate.statusBarUpdateSignal.emit('Constraint added')
723
724    def addSimpleConstraint(self):
725        """
726        Adds a constraint on a single parameter.
727        """
728        min_col = self.lstParams.itemDelegate().param_min
729        max_col = self.lstParams.itemDelegate().param_max
730        for row in self.selectedParameters():
731            assert(self.isCheckable(row))
732            param = self._model_model.item(row, 0).text()
733            value = self._model_model.item(row, 1).text()
734            min_t = self._model_model.item(row, min_col).text()
735            max_t = self._model_model.item(row, max_col).text()
736            # Create a Constraint object
737            constraint = Constraint(param=param, value=value, min=min_t, max=max_t)
738            # Create a new item and add the Constraint object as a child
739            item = QtGui.QStandardItem()
740            item.setData(constraint)
741            self._model_model.item(row, 1).setChild(0, item)
742            # Assumed correctness from the validator
743            value = float(value)
744            # BUMPS calculates log(max-min) without any checks, so let's assign minor range
745            min_v = value - (value/10000.0)
746            max_v = value + (value/10000.0)
747            # Set min/max to the value constrained
748            self._model_model.item(row, min_col).setText(str(min_v))
749            self._model_model.item(row, max_col).setText(str(max_v))
750            self.constraintAddedSignal.emit([row])
751            # Show visual hints for the constraint
752            font = QtGui.QFont()
753            font.setItalic(True)
754            brush = QtGui.QBrush(QtGui.QColor('blue'))
755            self.modifyViewOnRow(row, font=font, brush=brush)
756        self.communicate.statusBarUpdateSignal.emit('Constraint added')
757
758    def deleteConstraint(self):
759        """
760        Delete constraints from selected parameters.
761        """
762        params = [s.data() for s in self.lstParams.selectionModel().selectedRows()
763                   if self.isCheckable(s.row())]
764        for param in params:
765            self.deleteConstraintOnParameter(param=param)
766
767    def deleteConstraintOnParameter(self, param=None):
768        """
769        Delete the constraint on model parameter 'param'
770        """
771        min_col = self.lstParams.itemDelegate().param_min
772        max_col = self.lstParams.itemDelegate().param_max
773        for row in range(self._model_model.rowCount()):
774            if not self.isCheckable(row):
775                continue
776            if not self.rowHasConstraint(row):
777                continue
778            # Get the Constraint object from of the model item
779            item = self._model_model.item(row, 1)
780            constraint = self.getConstraintForRow(row)
781            if constraint is None:
782                continue
783            if not isinstance(constraint, Constraint):
784                continue
785            if param and constraint.param != param:
786                continue
787            # Now we got the right row. Delete the constraint and clean up
788            # Retrieve old values and put them on the model
789            if constraint.min is not None:
790                self._model_model.item(row, min_col).setText(constraint.min)
791            if constraint.max is not None:
792                self._model_model.item(row, max_col).setText(constraint.max)
793            # Remove constraint item
794            item.removeRow(0)
795            self.constraintAddedSignal.emit([row])
796            self.modifyViewOnRow(row)
797
798        self.communicate.statusBarUpdateSignal.emit('Constraint removed')
799
800    def getConstraintForRow(self, row):
801        """
802        For the given row, return its constraint, if any (otherwise None)
803        """
804        if not self.isCheckable(row):
805            return None
806        item = self._model_model.item(row, 1)
807        try:
808            return item.child(0).data()
809        except AttributeError:
810            return None
811
812    def rowHasConstraint(self, row):
813        """
814        Finds out if row of the main model has a constraint child
815        """
816        if not self.isCheckable(row):
817            return False
818        item = self._model_model.item(row, 1)
819        if not item.hasChildren():
820            return False
821        c = item.child(0).data()
822        if isinstance(c, Constraint):
823            return True
824        return False
825
826    def rowHasActiveConstraint(self, row):
827        """
828        Finds out if row of the main model has an active constraint child
829        """
830        if not self.isCheckable(row):
831            return False
832        item = self._model_model.item(row, 1)
833        if not item.hasChildren():
834            return False
835        c = item.child(0).data()
836        if isinstance(c, Constraint) and c.active:
837            return True
838        return False
839
840    def rowHasActiveComplexConstraint(self, row):
841        """
842        Finds out if row of the main model has an active, nontrivial constraint child
843        """
844        if not self.isCheckable(row):
845            return False
846        item = self._model_model.item(row, 1)
847        if not item.hasChildren():
848            return False
849        c = item.child(0).data()
850        if isinstance(c, Constraint) and c.func and c.active:
851            return True
852        return False
853
854    def selectParameters(self):
855        """
856        Selected parameter is chosen for fitting
857        """
858        status = QtCore.Qt.Checked
859        self.setParameterSelection(status)
860
861    def deselectParameters(self):
862        """
863        Selected parameters are removed for fitting
864        """
865        status = QtCore.Qt.Unchecked
866        self.setParameterSelection(status)
867
868    def selectedParameters(self):
869        """ Returns list of selected (highlighted) parameters """
870        return [s.row() for s in self.lstParams.selectionModel().selectedRows()
871                if self.isCheckable(s.row())]
872
873    def setParameterSelection(self, status=QtCore.Qt.Unchecked):
874        """
875        Selected parameters are chosen for fitting
876        """
877        # Convert to proper indices and set requested enablement
878        for row in self.selectedParameters():
879            self._model_model.item(row, 0).setCheckState(status)
880
881    def getConstraintsForModel(self):
882        """
883        Return a list of tuples. Each tuple contains constraints mapped as
884        ('constrained parameter', 'function to constrain')
885        e.g. [('sld','5*sld_solvent')]
886        """
887        param_number = self._model_model.rowCount()
888        params = [(self._model_model.item(s, 0).text(),
889                    self._model_model.item(s, 1).child(0).data().func)
890                    for s in range(param_number) if self.rowHasActiveConstraint(s)]
891        return params
892
893    def getComplexConstraintsForModel(self):
894        """
895        Return a list of tuples. Each tuple contains constraints mapped as
896        ('constrained parameter', 'function to constrain')
897        e.g. [('sld','5*M2.sld_solvent')].
898        Only for constraints with defined VALUE
899        """
900        param_number = self._model_model.rowCount()
901        params = [(self._model_model.item(s, 0).text(),
902                    self._model_model.item(s, 1).child(0).data().func)
903                    for s in range(param_number) if self.rowHasActiveComplexConstraint(s)]
904        return params
905
906    def getConstraintObjectsForModel(self):
907        """
908        Returns Constraint objects present on the whole model
909        """
910        param_number = self._model_model.rowCount()
911        constraints = [self._model_model.item(s, 1).child(0).data()
912                       for s in range(param_number) if self.rowHasConstraint(s)]
913
914        return constraints
915
916    def getConstraintsForFitting(self):
917        """
918        Return a list of constraints in format ready for use in fiting
919        """
920        # Get constraints
921        constraints = self.getComplexConstraintsForModel()
922        # See if there are any constraints across models
923        multi_constraints = [cons for cons in constraints if self.isConstraintMultimodel(cons[1])]
924
925        if multi_constraints:
926            # Let users choose what to do
927            msg = "The current fit contains constraints relying on other fit pages.\n"
928            msg += "Parameters with those constraints are:\n" +\
929                '\n'.join([cons[0] for cons in multi_constraints])
930            msg += "\n\nWould you like to remove these constraints or cancel fitting?"
931            msgbox = QtWidgets.QMessageBox(self)
932            msgbox.setIcon(QtWidgets.QMessageBox.Warning)
933            msgbox.setText(msg)
934            msgbox.setWindowTitle("Existing Constraints")
935            # custom buttons
936            button_remove = QtWidgets.QPushButton("Remove")
937            msgbox.addButton(button_remove, QtWidgets.QMessageBox.YesRole)
938            button_cancel = QtWidgets.QPushButton("Cancel")
939            msgbox.addButton(button_cancel, QtWidgets.QMessageBox.RejectRole)
940            retval = msgbox.exec_()
941            if retval == QtWidgets.QMessageBox.RejectRole:
942                # cancel fit
943                raise ValueError("Fitting cancelled")
944            else:
945                # remove constraint
946                for cons in multi_constraints:
947                    self.deleteConstraintOnParameter(param=cons[0])
948                # re-read the constraints
949                constraints = self.getComplexConstraintsForModel()
950
951        return constraints
952
953    def showModelDescription(self):
954        """
955        Creates a window with model description, when right clicked in the treeview
956        """
957        msg = 'Model description:\n'
958        if self.kernel_module is not None:
959            if str(self.kernel_module.description).rstrip().lstrip() == '':
960                msg += "Sorry, no information is available for this model."
961            else:
962                msg += self.kernel_module.description + '\n'
963        else:
964            msg += "You must select a model to get information on this"
965
966        menu = QtWidgets.QMenu()
967        label = QtWidgets.QLabel(msg)
968        action = QtWidgets.QWidgetAction(self)
969        action.setDefaultWidget(label)
970        menu.addAction(action)
971        return menu
972
973    def onSelectModel(self):
974        """
975        Respond to select Model from list event
976        """
977        model = self.cbModel.currentText()
978
979        # Assure the control is active
980        if not self.cbModel.isEnabled():
981            return
982        # Empty combobox forced to be read
983        if not model:
984            return
985
986        # Reset parameters to fit
987        self.resetParametersToFit()
988        self.has_error_column = False
989        self.has_poly_error_column = False
990
991        structure = None
992        if self.cbStructureFactor.isEnabled():
993            structure = str(self.cbStructureFactor.currentText())
994        self.respondToModelStructure(model=model, structure_factor=structure)
995
996    def onSelectBatchFilename(self, data_index):
997        """
998        Update the logic based on the selected file in batch fitting
999        """
1000        self.data_index = data_index
1001        self.updateQRange()
1002
1003    def onSelectStructureFactor(self):
1004        """
1005        Select Structure Factor from list
1006        """
1007        model = str(self.cbModel.currentText())
1008        category = str(self.cbCategory.currentText())
1009        structure = str(self.cbStructureFactor.currentText())
1010        if category == CATEGORY_STRUCTURE:
1011            model = None
1012
1013        # Reset parameters to fit
1014        self.resetParametersToFit()
1015        self.has_error_column = False
1016        self.has_poly_error_column = False
1017
1018        self.respondToModelStructure(model=model, structure_factor=structure)
1019
1020    def resetParametersToFit(self):
1021        """
1022        Clears the list of parameters to be fitted
1023        """
1024        self.main_params_to_fit = []
1025        self.poly_params_to_fit = []
1026        self.magnet_params_to_fit = []
1027
1028    def onCustomModelChange(self):
1029        """
1030        Reload the custom model combobox
1031        """
1032        self.custom_models = self.customModels()
1033        self.readCustomCategoryInfo()
1034        # See if we need to update the combo in-place
1035        if self.cbCategory.currentText() != CATEGORY_CUSTOM: return
1036
1037        current_text = self.cbModel.currentText()
1038        self.cbModel.blockSignals(True)
1039        self.cbModel.clear()
1040        self.cbModel.blockSignals(False)
1041        self.enableModelCombo()
1042        self.disableStructureCombo()
1043        # Retrieve the list of models
1044        model_list = self.master_category_dict[CATEGORY_CUSTOM]
1045        # Populate the models combobox
1046        self.cbModel.addItems(sorted([model for (model, _) in model_list]))
1047        new_index = self.cbModel.findText(current_text)
1048        if new_index != -1:
1049            self.cbModel.setCurrentIndex(self.cbModel.findText(current_text))
1050
1051    def onSelectionChanged(self):
1052        """
1053        React to parameter selection
1054        """
1055        rows = self.lstParams.selectionModel().selectedRows()
1056        # Clean previous messages
1057        self.communicate.statusBarUpdateSignal.emit("")
1058        if len(rows) == 1:
1059            # Show constraint, if present
1060            row = rows[0].row()
1061            if not self.rowHasConstraint(row):
1062                return
1063            func = self.getConstraintForRow(row).func
1064            if func is not None:
1065                self.communicate.statusBarUpdateSignal.emit("Active constrain: "+func)
1066
1067    def replaceConstraintName(self, old_name, new_name=""):
1068        """
1069        Replace names of models in defined constraints
1070        """
1071        param_number = self._model_model.rowCount()
1072        # loop over parameters
1073        for row in range(param_number):
1074            if self.rowHasConstraint(row):
1075                func = self._model_model.item(row, 1).child(0).data().func
1076                if old_name in func:
1077                    new_func = func.replace(old_name, new_name)
1078                    self._model_model.item(row, 1).child(0).data().func = new_func
1079
1080    def isConstraintMultimodel(self, constraint):
1081        """
1082        Check if the constraint function text contains current model name
1083        """
1084        current_model_name = self.kernel_module.name
1085        if current_model_name in constraint:
1086            return False
1087        else:
1088            return True
1089
1090    def updateData(self):
1091        """
1092        Helper function for recalculation of data used in plotting
1093        """
1094        # Update the chart
1095        if self.data_is_loaded:
1096            self.cmdPlot.setText("Show Plot")
1097            self.calculateQGridForModel()
1098        else:
1099            self.cmdPlot.setText("Calculate")
1100            # Create default datasets if no data passed
1101            self.createDefaultDataset()
1102
1103    def respondToModelStructure(self, model=None, structure_factor=None):
1104        # Set enablement on calculate/plot
1105        self.cmdPlot.setEnabled(True)
1106
1107        # kernel parameters -> model_model
1108        self.SASModelToQModel(model, structure_factor)
1109
1110        # Update plot
1111        self.updateData()
1112
1113        # Update state stack
1114        self.updateUndo()
1115
1116        # Let others know
1117        self.newModelSignal.emit()
1118
1119    def onSelectCategory(self):
1120        """
1121        Select Category from list
1122        """
1123        category = self.cbCategory.currentText()
1124        # Check if the user chose "Choose category entry"
1125        if category == CATEGORY_DEFAULT:
1126            # if the previous category was not the default, keep it.
1127            # Otherwise, just return
1128            if self._previous_category_index != 0:
1129                # We need to block signals, or else state changes on perceived unchanged conditions
1130                self.cbCategory.blockSignals(True)
1131                self.cbCategory.setCurrentIndex(self._previous_category_index)
1132                self.cbCategory.blockSignals(False)
1133            return
1134
1135        if category == CATEGORY_STRUCTURE:
1136            self.disableModelCombo()
1137            self.enableStructureCombo()
1138            # set the index to 0
1139            self.cbStructureFactor.setCurrentIndex(0)
1140            self.model_parameters = None
1141            self._model_model.clear()
1142            return
1143
1144        # Safely clear and enable the model combo
1145        self.cbModel.blockSignals(True)
1146        self.cbModel.clear()
1147        self.cbModel.blockSignals(False)
1148        self.enableModelCombo()
1149        self.disableStructureCombo()
1150
1151        self._previous_category_index = self.cbCategory.currentIndex()
1152        # Retrieve the list of models
1153        model_list = self.master_category_dict[category]
1154        # Populate the models combobox
1155        self.cbModel.addItems(sorted([model for (model, _) in model_list]))
1156
1157    def onPolyModelChange(self, item):
1158        """
1159        Callback method for updating the main model and sasmodel
1160        parameters with the GUI values in the polydispersity view
1161        """
1162        model_column = item.column()
1163        model_row = item.row()
1164        name_index = self._poly_model.index(model_row, 0)
1165        parameter_name = str(name_index.data()) # "distribution of sld" etc.
1166        if "istribution of" in parameter_name:
1167            # just the last word
1168            parameter_name = parameter_name.rsplit()[-1]
1169
1170        delegate = self.lstPoly.itemDelegate()
1171
1172        # Extract changed value.
1173        if model_column == delegate.poly_parameter:
1174            # Is the parameter checked for fitting?
1175            value = item.checkState()
1176            parameter_name = parameter_name + '.width'
1177            if value == QtCore.Qt.Checked:
1178                self.poly_params_to_fit.append(parameter_name)
1179            else:
1180                if parameter_name in self.poly_params_to_fit:
1181                    self.poly_params_to_fit.remove(parameter_name)
1182            self.cmdFit.setEnabled(self.haveParamsToFit())
1183
1184        elif model_column in [delegate.poly_min, delegate.poly_max]:
1185            try:
1186                value = GuiUtils.toDouble(item.text())
1187            except TypeError:
1188                # Can't be converted properly, bring back the old value and exit
1189                return
1190
1191            current_details = self.kernel_module.details[parameter_name]
1192            if self.has_poly_error_column:
1193                # err column changes the indexing
1194                current_details[model_column-2] = value
1195            else:
1196                current_details[model_column-1] = value
1197
1198        elif model_column == delegate.poly_function:
1199            # name of the function - just pass
1200            pass
1201
1202        else:
1203            try:
1204                value = GuiUtils.toDouble(item.text())
1205            except TypeError:
1206                # Can't be converted properly, bring back the old value and exit
1207                return
1208
1209            # Update the sasmodel
1210            # PD[ratio] -> width, npts -> npts, nsigs -> nsigmas
1211            #self.kernel_module.setParam(parameter_name + '.' + delegate.columnDict()[model_column], value)
1212            key = parameter_name + '.' + delegate.columnDict()[model_column]
1213            self.poly_params[key] = value
1214
1215            # Update plot
1216            self.updateData()
1217
1218        # update in param model
1219        if model_column in [delegate.poly_pd, delegate.poly_error, delegate.poly_min, delegate.poly_max]:
1220            row = self.getRowFromName(parameter_name)
1221            param_item = self._model_model.item(row)
1222            self._model_model.blockSignals(True)
1223            param_item.child(0).child(0, model_column).setText(item.text())
1224            self._model_model.blockSignals(False)
1225
1226    def onMagnetModelChange(self, item):
1227        """
1228        Callback method for updating the sasmodel magnetic parameters with the GUI values
1229        """
1230        model_column = item.column()
1231        model_row = item.row()
1232        name_index = self._magnet_model.index(model_row, 0)
1233        parameter_name = str(self._magnet_model.data(name_index))
1234
1235        if model_column == 0:
1236            value = item.checkState()
1237            if value == QtCore.Qt.Checked:
1238                self.magnet_params_to_fit.append(parameter_name)
1239            else:
1240                if parameter_name in self.magnet_params_to_fit:
1241                    self.magnet_params_to_fit.remove(parameter_name)
1242            self.cmdFit.setEnabled(self.haveParamsToFit())
1243            # Update state stack
1244            self.updateUndo()
1245            return
1246
1247        # Extract changed value.
1248        try:
1249            value = GuiUtils.toDouble(item.text())
1250        except TypeError:
1251            # Unparsable field
1252            return
1253        delegate = self.lstMagnetic.itemDelegate()
1254
1255        if model_column > 1:
1256            if model_column == delegate.mag_min:
1257                pos = 1
1258            elif model_column == delegate.mag_max:
1259                pos = 2
1260            elif model_column == delegate.mag_unit:
1261                pos = 0
1262            else:
1263                raise AttributeError("Wrong column in magnetism table.")
1264            # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf]
1265            self.kernel_module.details[parameter_name][pos] = value
1266        else:
1267            self.magnet_params[parameter_name] = value
1268            #self.kernel_module.setParam(parameter_name) = value
1269            # Force the chart update when actual parameters changed
1270            self.recalculatePlotData()
1271
1272        # Update state stack
1273        self.updateUndo()
1274
1275    def onHelp(self):
1276        """
1277        Show the "Fitting" section of help
1278        """
1279        tree_location = "/user/qtgui/Perspectives/Fitting/"
1280
1281        # Actual file will depend on the current tab
1282        tab_id = self.tabFitting.currentIndex()
1283        helpfile = "fitting.html"
1284        if tab_id == 0:
1285            helpfile = "fitting_help.html"
1286        elif tab_id == 1:
1287            helpfile = "residuals_help.html"
1288        elif tab_id == 2:
1289            helpfile = "resolution.html"
1290        elif tab_id == 3:
1291            helpfile = "pd/polydispersity.html"
1292        elif tab_id == 4:
1293            helpfile = "magnetism/magnetism.html"
1294        help_location = tree_location + helpfile
1295
1296        self.showHelp(help_location)
1297
1298    def showHelp(self, url):
1299        """
1300        Calls parent's method for opening an HTML page
1301        """
1302        self.parent.showHelp(url)
1303
1304    def onDisplayMagneticAngles(self):
1305        """
1306        Display a simple image showing direction of magnetic angles
1307        """
1308        self.magneticAnglesWidget.show()
1309
1310    def onFit(self):
1311        """
1312        Perform fitting on the current data
1313        """
1314        if self.fit_started:
1315            self.stopFit()
1316            return
1317
1318        # initialize fitter constants
1319        fit_id = 0
1320        handler = None
1321        batch_inputs = {}
1322        batch_outputs = {}
1323        #---------------------------------
1324        if LocalConfig.USING_TWISTED:
1325            handler = None
1326            updater = None
1327        else:
1328            handler = ConsoleUpdate(parent=self.parent,
1329                                    manager=self,
1330                                    improvement_delta=0.1)
1331            updater = handler.update_fit
1332
1333        # Prepare the fitter object
1334        try:
1335            fitters, _ = self.prepareFitters()
1336        except ValueError as ex:
1337            # This should not happen! GUI explicitly forbids this situation
1338            self.communicate.statusBarUpdateSignal.emit(str(ex))
1339            return
1340
1341        # keep local copy of kernel parameters, as they will change during the update
1342        self.kernel_module_copy = copy.deepcopy(self.kernel_module)
1343
1344        # Create the fitting thread, based on the fitter
1345        completefn = self.batchFittingCompleted if self.is_batch_fitting else self.fittingCompleted
1346
1347        self.calc_fit = FitThread(handler=handler,
1348                            fn=fitters,
1349                            batch_inputs=batch_inputs,
1350                            batch_outputs=batch_outputs,
1351                            page_id=[[self.page_id]],
1352                            updatefn=updater,
1353                            completefn=completefn,
1354                            reset_flag=self.is_chain_fitting)
1355
1356        if LocalConfig.USING_TWISTED:
1357            # start the trhrhread with twisted
1358            calc_thread = threads.deferToThread(self.calc_fit.compute)
1359            calc_thread.addCallback(completefn)
1360            calc_thread.addErrback(self.fitFailed)
1361        else:
1362            # Use the old python threads + Queue
1363            self.calc_fit.queue()
1364            self.calc_fit.ready(2.5)
1365
1366        self.communicate.statusBarUpdateSignal.emit('Fitting started...')
1367        self.fit_started = True
1368        # Disable some elements
1369        self.setFittingStarted()
1370
1371    def stopFit(self):
1372        """
1373        Attempt to stop the fitting thread
1374        """
1375        if self.calc_fit is None or not self.calc_fit.isrunning():
1376            return
1377        self.calc_fit.stop()
1378        #self.fit_started=False
1379        #re-enable the Fit button
1380        self.setFittingStopped()
1381
1382        msg = "Fitting cancelled."
1383        self.communicate.statusBarUpdateSignal.emit(msg)
1384
1385    def updateFit(self):
1386        """
1387        """
1388        print("UPDATE FIT")
1389        pass
1390
1391    def fitFailed(self, reason):
1392        """
1393        """
1394        self.setFittingStopped()
1395        msg = "Fitting failed with: "+ str(reason)
1396        self.communicate.statusBarUpdateSignal.emit(msg)
1397
1398    def batchFittingCompleted(self, result):
1399        """
1400        Send the finish message from calculate threads to main thread
1401        """
1402        if result is None:
1403            result = tuple()
1404        self.batchFittingFinishedSignal.emit(result)
1405
1406    def batchFitComplete(self, result):
1407        """
1408        Receive and display batch fitting results
1409        """
1410        #re-enable the Fit button
1411        self.setFittingStopped()
1412
1413        if len(result) == 0:
1414            msg = "Fitting failed."
1415            self.communicate.statusBarUpdateSignal.emit(msg)
1416            return
1417
1418        # Show the grid panel
1419        self.communicate.sendDataToGridSignal.emit(result[0])
1420
1421        elapsed = result[1]
1422        msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed)
1423        self.communicate.statusBarUpdateSignal.emit(msg)
1424
1425        # Run over the list of results and update the items
1426        for res_index, res_list in enumerate(result[0]):
1427            # results
1428            res = res_list[0]
1429            param_dict = self.paramDictFromResults(res)
1430
1431            # create local kernel_module
1432            kernel_module = FittingUtilities.updateKernelWithResults(self.kernel_module, param_dict)
1433            # pull out current data
1434            data = self._logic[res_index].data
1435
1436            # Switch indexes
1437            self.onSelectBatchFilename(res_index)
1438
1439            method = self.complete1D if isinstance(self.data, Data1D) else self.complete2D
1440            self.calculateQGridForModelExt(data=data, model=kernel_module, completefn=method, use_threads=False)
1441
1442        # Restore original kernel_module, so subsequent fits on the same model don't pick up the new params
1443        if self.kernel_module is not None:
1444            self.kernel_module = copy.deepcopy(self.kernel_module_copy)
1445
1446    def paramDictFromResults(self, results):
1447        """
1448        Given the fit results structure, pull out optimized parameters and return them as nicely
1449        formatted dict
1450        """
1451        if results.fitness is None or \
1452            not np.isfinite(results.fitness) or \
1453            np.any(results.pvec is None) or \
1454            not np.all(np.isfinite(results.pvec)):
1455            msg = "Fitting did not converge!"
1456            self.communicate.statusBarUpdateSignal.emit(msg)
1457            msg += results.mesg
1458            logging.error(msg)
1459            return
1460
1461        param_list = results.param_list # ['radius', 'radius.width']
1462        param_values = results.pvec     # array([ 0.36221662,  0.0146783 ])
1463        param_stderr = results.stderr   # array([ 1.71293015,  1.71294233])
1464        params_and_errors = list(zip(param_values, param_stderr))
1465        param_dict = dict(zip(param_list, params_and_errors))
1466
1467        return param_dict
1468
1469    def fittingCompleted(self, result):
1470        """
1471        Send the finish message from calculate threads to main thread
1472        """
1473        if result is None:
1474            result = tuple()
1475        self.fittingFinishedSignal.emit(result)
1476
1477    def fitComplete(self, result):
1478        """
1479        Receive and display fitting results
1480        "result" is a tuple of actual result list and the fit time in seconds
1481        """
1482        #re-enable the Fit button
1483        self.setFittingStopped()
1484
1485        if len(result) == 0:
1486            msg = "Fitting failed."
1487            self.communicate.statusBarUpdateSignal.emit(msg)
1488            return
1489
1490        res_list = result[0][0]
1491        res = res_list[0]
1492        self.chi2 = res.fitness
1493        param_dict = self.paramDictFromResults(res)
1494
1495        if param_dict is None:
1496            return
1497
1498        elapsed = result[1]
1499        if self.calc_fit._interrupting:
1500            msg = "Fitting cancelled by user after: %s s." % GuiUtils.formatNumber(elapsed)
1501            logging.warning("\n"+msg+"\n")
1502        else:
1503            msg = "Fitting completed successfully in: %s s." % GuiUtils.formatNumber(elapsed)
1504        self.communicate.statusBarUpdateSignal.emit(msg)
1505
1506        # Dictionary of fitted parameter: value, error
1507        # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)}
1508        self.updateModelFromList(param_dict)
1509
1510        self.updatePolyModelFromList(param_dict)
1511
1512        self.updateMagnetModelFromList(param_dict)
1513
1514        # update charts
1515        self.onPlot()
1516        #self.recalculatePlotData()
1517
1518
1519        # Read only value - we can get away by just printing it here
1520        chi2_repr = GuiUtils.formatNumber(self.chi2, high=True)
1521        self.lblChi2Value.setText(chi2_repr)
1522
1523    def prepareFitters(self, fitter=None, fit_id=0):
1524        """
1525        Prepare the Fitter object for use in fitting
1526        """
1527        # fitter = None -> single/batch fitting
1528        # fitter = Fit() -> simultaneous fitting
1529
1530        # Data going in
1531        data = self.logic.data
1532        model = copy.deepcopy(self.kernel_module)
1533        qmin = self.q_range_min
1534        qmax = self.q_range_max
1535        # add polydisperse/magnet parameters if asked
1536        self.updateKernelModelWithExtraParams(model)
1537
1538        params_to_fit = self.main_params_to_fit
1539        if self.chkPolydispersity.isChecked():
1540            params_to_fit += self.poly_params_to_fit
1541        if self.chkMagnetism.isChecked():
1542            params_to_fit += self.magnet_params_to_fit
1543        if not params_to_fit:
1544            raise ValueError('Fitting requires at least one parameter to optimize.')
1545
1546        # Get the constraints.
1547        constraints = self.getComplexConstraintsForModel()
1548        if fitter is None:
1549            # For single fits - check for inter-model constraints
1550            constraints = self.getConstraintsForFitting()
1551
1552        smearer = self.smearing_widget.smearer()
1553        handler = None
1554        batch_inputs = {}
1555        batch_outputs = {}
1556
1557        fitters = []
1558        for fit_index in self.all_data:
1559            fitter_single = Fit() if fitter is None else fitter
1560            data = GuiUtils.dataFromItem(fit_index)
1561            # Potential weights added directly to data
1562            weighted_data = self.addWeightingToData(data)
1563            try:
1564                fitter_single.set_model(model, fit_id, params_to_fit, data=weighted_data,
1565                             constraints=constraints)
1566            except ValueError as ex:
1567                raise ValueError("Setting model parameters failed with: %s" % ex)
1568
1569            qmin, qmax, _ = self.logic.computeRangeFromData(weighted_data)
1570            fitter_single.set_data(data=weighted_data, id=fit_id, smearer=smearer, qmin=qmin,
1571                            qmax=qmax)
1572            fitter_single.select_problem_for_fit(id=fit_id, value=1)
1573            if fitter is None:
1574                # Assign id to the new fitter only
1575                fitter_single.fitter_id = [self.page_id]
1576            fit_id += 1
1577            fitters.append(fitter_single)
1578
1579        return fitters, fit_id
1580
1581    def iterateOverModel(self, func):
1582        """
1583        Take func and throw it inside the model row loop
1584        """
1585        for row_i in range(self._model_model.rowCount()):
1586            func(row_i)
1587
1588    def updateModelFromList(self, param_dict):
1589        """
1590        Update the model with new parameters, create the errors column
1591        """
1592        assert isinstance(param_dict, dict)
1593        if not dict:
1594            return
1595
1596        def updateFittedValues(row):
1597            # Utility function for main model update
1598            # internal so can use closure for param_dict
1599            param_name = str(self._model_model.item(row, 0).text())
1600            if not self.isCheckable(row) or param_name not in list(param_dict.keys()):
1601                return
1602            # modify the param value
1603            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1604            self._model_model.item(row, 1).setText(param_repr)
1605            self.kernel_module.setParam(param_name, param_dict[param_name][0])
1606            if self.has_error_column:
1607                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1608                self._model_model.item(row, 2).setText(error_repr)
1609
1610        def updatePolyValues(row):
1611            # Utility function for updateof polydispersity part of the main model
1612            param_name = str(self._model_model.item(row, 0).text())+'.width'
1613            if not self.isCheckable(row) or param_name not in list(param_dict.keys()):
1614                return
1615            # modify the param value
1616            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1617            self._model_model.item(row, 0).child(0).child(0,1).setText(param_repr)
1618            # modify the param error
1619            if self.has_error_column:
1620                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1621                self._model_model.item(row, 0).child(0).child(0,2).setText(error_repr)
1622
1623        def createErrorColumn(row):
1624            # Utility function for error column update
1625            item = QtGui.QStandardItem()
1626            def createItem(param_name):
1627                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1628                item.setText(error_repr)
1629            def curr_param():
1630                return str(self._model_model.item(row, 0).text())
1631
1632            [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name]
1633
1634            error_column.append(item)
1635
1636        def createPolyErrorColumn(row):
1637            # Utility function for error column update in the polydispersity sub-rows
1638            # NOTE: only creates empty items; updatePolyValues adds the error value
1639            item = self._model_model.item(row, 0)
1640            if not item.hasChildren():
1641                return
1642            poly_item = item.child(0)
1643            if not poly_item.hasChildren():
1644                return
1645            poly_item.insertColumn(2, [QtGui.QStandardItem("")])
1646
1647        if not self.has_error_column:
1648            # create top-level error column
1649            error_column = []
1650            self.lstParams.itemDelegate().addErrorColumn()
1651            self.iterateOverModel(createErrorColumn)
1652
1653            self._model_model.insertColumn(2, error_column)
1654
1655            FittingUtilities.addErrorHeadersToModel(self._model_model)
1656
1657            # create error column in polydispersity sub-rows
1658            self.iterateOverModel(createPolyErrorColumn)
1659
1660            self.has_error_column = True
1661
1662        # block signals temporarily, so we don't end up
1663        # updating charts with every single model change on the end of fitting
1664        self._model_model.itemChanged.disconnect()
1665        self.iterateOverModel(updateFittedValues)
1666        self.iterateOverModel(updatePolyValues)
1667        self._model_model.itemChanged.connect(self.onMainParamsChange)
1668
1669        # Adjust the table cells width.
1670        # TODO: find a way to dynamically adjust column width while resized expanding
1671        self.lstParams.resizeColumnToContents(0)
1672        self.lstParams.resizeColumnToContents(4)
1673        self.lstParams.resizeColumnToContents(5)
1674        self.lstParams.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
1675
1676    def iterateOverPolyModel(self, func):
1677        """
1678        Take func and throw it inside the poly model row loop
1679        """
1680        for row_i in range(self._poly_model.rowCount()):
1681            func(row_i)
1682
1683    def updatePolyModelFromList(self, param_dict):
1684        """
1685        Update the polydispersity model with new parameters, create the errors column
1686        """
1687        assert isinstance(param_dict, dict)
1688        if not dict:
1689            return
1690
1691        def updateFittedValues(row_i):
1692            # Utility function for main model update
1693            # internal so can use closure for param_dict
1694            if row_i >= self._poly_model.rowCount():
1695                return
1696            param_name = str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width'
1697            if param_name not in list(param_dict.keys()):
1698                return
1699            # modify the param value
1700            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1701            self._poly_model.item(row_i, 1).setText(param_repr)
1702            self.kernel_module.setParam(param_name, param_dict[param_name][0])
1703            if self.has_poly_error_column:
1704                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1705                self._poly_model.item(row_i, 2).setText(error_repr)
1706
1707        def createErrorColumn(row_i):
1708            # Utility function for error column update
1709            if row_i >= self._poly_model.rowCount():
1710                return
1711            item = QtGui.QStandardItem()
1712
1713            def createItem(param_name):
1714                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1715                item.setText(error_repr)
1716
1717            def poly_param():
1718                return str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width'
1719
1720            [createItem(param_name) for param_name in list(param_dict.keys()) if poly_param() == param_name]
1721
1722            error_column.append(item)
1723
1724        # block signals temporarily, so we don't end up
1725        # updating charts with every single model change on the end of fitting
1726        self._poly_model.itemChanged.disconnect()
1727        self.iterateOverPolyModel(updateFittedValues)
1728        self._poly_model.itemChanged.connect(self.onPolyModelChange)
1729
1730        if self.has_poly_error_column:
1731            return
1732
1733        self.lstPoly.itemDelegate().addErrorColumn()
1734        error_column = []
1735        self.iterateOverPolyModel(createErrorColumn)
1736
1737        # switch off reponse to model change
1738        self._poly_model.insertColumn(2, error_column)
1739        FittingUtilities.addErrorPolyHeadersToModel(self._poly_model)
1740
1741        self.has_poly_error_column = True
1742
1743    def iterateOverMagnetModel(self, func):
1744        """
1745        Take func and throw it inside the magnet model row loop
1746        """
1747        for row_i in range(self._magnet_model.rowCount()):
1748            func(row_i)
1749
1750    def updateMagnetModelFromList(self, param_dict):
1751        """
1752        Update the magnetic model with new parameters, create the errors column
1753        """
1754        assert isinstance(param_dict, dict)
1755        if not dict:
1756            return
1757        if self._magnet_model.rowCount() == 0:
1758            return
1759
1760        def updateFittedValues(row):
1761            # Utility function for main model update
1762            # internal so can use closure for param_dict
1763            if self._magnet_model.item(row, 0) is None:
1764                return
1765            param_name = str(self._magnet_model.item(row, 0).text())
1766            if param_name not in list(param_dict.keys()):
1767                return
1768            # modify the param value
1769            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1770            self._magnet_model.item(row, 1).setText(param_repr)
1771            self.kernel_module.setParam(param_name, param_dict[param_name][0])
1772            if self.has_magnet_error_column:
1773                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1774                self._magnet_model.item(row, 2).setText(error_repr)
1775
1776        def createErrorColumn(row):
1777            # Utility function for error column update
1778            item = QtGui.QStandardItem()
1779            def createItem(param_name):
1780                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1781                item.setText(error_repr)
1782            def curr_param():
1783                return str(self._magnet_model.item(row, 0).text())
1784
1785            [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name]
1786
1787            error_column.append(item)
1788
1789        # block signals temporarily, so we don't end up
1790        # updating charts with every single model change on the end of fitting
1791        self._magnet_model.itemChanged.disconnect()
1792        self.iterateOverMagnetModel(updateFittedValues)
1793        self._magnet_model.itemChanged.connect(self.onMagnetModelChange)
1794
1795        if self.has_magnet_error_column:
1796            return
1797
1798        self.lstMagnetic.itemDelegate().addErrorColumn()
1799        error_column = []
1800        self.iterateOverMagnetModel(createErrorColumn)
1801
1802        # switch off reponse to model change
1803        self._magnet_model.insertColumn(2, error_column)
1804        FittingUtilities.addErrorHeadersToModel(self._magnet_model)
1805
1806        self.has_magnet_error_column = True
1807
1808    def onPlot(self):
1809        """
1810        Plot the current set of data
1811        """
1812        # Regardless of previous state, this should now be `plot show` functionality only
1813        self.cmdPlot.setText("Show Plot")
1814        # Force data recalculation so existing charts are updated
1815        self.showPlot()
1816        # This is an important processEvent.
1817        # This allows charts to be properly updated in order
1818        # of plots being applied.
1819        QtWidgets.QApplication.processEvents()
1820        self.recalculatePlotData()
1821
1822    def onSmearingOptionsUpdate(self):
1823        """
1824        React to changes in the smearing widget
1825        """
1826        self.calculateQGridForModel()
1827
1828    def recalculatePlotData(self):
1829        """
1830        Generate a new dataset for model
1831        """
1832        if not self.data_is_loaded:
1833            self.createDefaultDataset()
1834        self.calculateQGridForModel()
1835
1836    def showPlot(self):
1837        """
1838        Show the current plot in MPL
1839        """
1840        # Show the chart if ready
1841        data_to_show = self.data if self.data_is_loaded else self.model_data
1842        if data_to_show is not None:
1843            self.communicate.plotRequestedSignal.emit([data_to_show], self.tab_id)
1844
1845    def onOptionsUpdate(self):
1846        """
1847        Update local option values and replot
1848        """
1849        self.q_range_min, self.q_range_max, self.npts, self.log_points, self.weighting = \
1850            self.options_widget.state()
1851        # set Q range labels on the main tab
1852        self.lblMinRangeDef.setText(str(self.q_range_min))
1853        self.lblMaxRangeDef.setText(str(self.q_range_max))
1854        self.recalculatePlotData()
1855
1856    def setDefaultStructureCombo(self):
1857        """
1858        Fill in the structure factors combo box with defaults
1859        """
1860        structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE)
1861        factors = [factor[0] for factor in structure_factor_list]
1862        factors.insert(0, STRUCTURE_DEFAULT)
1863        self.cbStructureFactor.clear()
1864        self.cbStructureFactor.addItems(sorted(factors))
1865
1866    def createDefaultDataset(self):
1867        """
1868        Generate default Dataset 1D/2D for the given model
1869        """
1870        # Create default datasets if no data passed
1871        if self.is2D:
1872            qmax = self.q_range_max/np.sqrt(2)
1873            qstep = self.npts
1874            self.logic.createDefault2dData(qmax, qstep, self.tab_id)
1875            return
1876        elif self.log_points:
1877            qmin = -10.0 if self.q_range_min < 1.e-10 else np.log10(self.q_range_min)
1878            qmax = 10.0 if self.q_range_max > 1.e10 else np.log10(self.q_range_max)
1879            interval = np.logspace(start=qmin, stop=qmax, num=self.npts, endpoint=True, base=10.0)
1880        else:
1881            interval = np.linspace(start=self.q_range_min, stop=self.q_range_max,
1882                                   num=self.npts, endpoint=True)
1883        self.logic.createDefault1dData(interval, self.tab_id)
1884
1885    def readCategoryInfo(self):
1886        """
1887        Reads the categories in from file
1888        """
1889        self.master_category_dict = defaultdict(list)
1890        self.by_model_dict = defaultdict(list)
1891        self.model_enabled_dict = defaultdict(bool)
1892
1893        categorization_file = CategoryInstaller.get_user_file()
1894        if not os.path.isfile(categorization_file):
1895            categorization_file = CategoryInstaller.get_default_file()
1896        with open(categorization_file, 'rb') as cat_file:
1897            self.master_category_dict = json.load(cat_file)
1898            self.regenerateModelDict()
1899
1900        # Load the model dict
1901        models = load_standard_models()
1902        for model in models:
1903            self.models[model.name] = model
1904
1905        self.readCustomCategoryInfo()
1906
1907    def readCustomCategoryInfo(self):
1908        """
1909        Reads the custom model category
1910        """
1911        #Looking for plugins
1912        self.plugins = list(self.custom_models.values())
1913        plugin_list = []
1914        for name, plug in self.custom_models.items():
1915            self.models[name] = plug
1916            plugin_list.append([name, True])
1917        self.master_category_dict[CATEGORY_CUSTOM] = plugin_list
1918
1919    def regenerateModelDict(self):
1920        """
1921        Regenerates self.by_model_dict which has each model name as the
1922        key and the list of categories belonging to that model
1923        along with the enabled mapping
1924        """
1925        self.by_model_dict = defaultdict(list)
1926        for category in self.master_category_dict:
1927            for (model, enabled) in self.master_category_dict[category]:
1928                self.by_model_dict[model].append(category)
1929                self.model_enabled_dict[model] = enabled
1930
1931    def addBackgroundToModel(self, model):
1932        """
1933        Adds background parameter with default values to the model
1934        """
1935        assert isinstance(model, QtGui.QStandardItemModel)
1936        checked_list = ['background', '0.001', '-inf', 'inf', '1/cm']
1937        FittingUtilities.addCheckedListToModel(model, checked_list)
1938        last_row = model.rowCount()-1
1939        model.item(last_row, 0).setEditable(False)
1940        model.item(last_row, 4).setEditable(False)
1941
1942    def addScaleToModel(self, model):
1943        """
1944        Adds scale parameter with default values to the model
1945        """
1946        assert isinstance(model, QtGui.QStandardItemModel)
1947        checked_list = ['scale', '1.0', '0.0', 'inf', '']
1948        FittingUtilities.addCheckedListToModel(model, checked_list)
1949        last_row = model.rowCount()-1
1950        model.item(last_row, 0).setEditable(False)
1951        model.item(last_row, 4).setEditable(False)
1952
1953    def addWeightingToData(self, data):
1954        """
1955        Adds weighting contribution to fitting data
1956        """
1957        new_data = copy.deepcopy(data)
1958        # Send original data for weighting
1959        weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting)
1960        if self.is2D:
1961            new_data.err_data = weight
1962        else:
1963            new_data.dy = weight
1964
1965        return new_data
1966
1967    def updateQRange(self):
1968        """
1969        Updates Q Range display
1970        """
1971        if self.data_is_loaded:
1972            self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange()
1973        # set Q range labels on the main tab
1974        self.lblMinRangeDef.setText(str(self.q_range_min))
1975        self.lblMaxRangeDef.setText(str(self.q_range_max))
1976        # set Q range labels on the options tab
1977        self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts)
1978
1979    def SASModelToQModel(self, model_name, structure_factor=None):
1980        """
1981        Setting model parameters into table based on selected category
1982        """
1983        # Crete/overwrite model items
1984        self._model_model.clear()
1985        self._poly_model.clear()
1986        self._magnet_model.clear()
1987
1988        if model_name is None:
1989            if structure_factor not in (None, "None"):
1990                # S(Q) on its own, treat the same as a form factor
1991                self.kernel_module = None
1992                self.fromStructureFactorToQModel(structure_factor)
1993            else:
1994                # No models selected
1995                return
1996        else:
1997            self.fromModelToQModel(model_name)
1998            self.addExtraShells()
1999
2000            # Allow the SF combobox visibility for the given sasmodel
2001            self.enableStructureFactorControl(structure_factor)
2002       
2003            # Add S(Q)
2004            if self.cbStructureFactor.isEnabled():
2005                structure_factor = self.cbStructureFactor.currentText()
2006                self.fromStructureFactorToQModel(structure_factor)
2007
2008            # Add polydispersity to the model
2009            self.poly_params = {}
2010            self.setPolyModel()
2011            # Add magnetic parameters to the model
2012            self.magnet_params = {}
2013            self.setMagneticModel()
2014
2015        # Adjust the table cells width
2016        self.lstParams.resizeColumnToContents(0)
2017        self.lstParams.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
2018
2019        # Now we claim the model has been loaded
2020        self.model_is_loaded = True
2021        # Change the model name to a monicker
2022        self.kernel_module.name = self.modelName()
2023        # Update the smearing tab
2024        self.smearing_widget.updateKernelModel(kernel_model=self.kernel_module)
2025
2026        # (Re)-create headers
2027        FittingUtilities.addHeadersToModel(self._model_model)
2028        self.lstParams.header().setFont(self.boldFont)
2029
2030        # Update Q Ranges
2031        self.updateQRange()
2032
2033    def fromModelToQModel(self, model_name):
2034        """
2035        Setting model parameters into QStandardItemModel based on selected _model_
2036        """
2037        name = model_name
2038        kernel_module = None
2039        if self.cbCategory.currentText() == CATEGORY_CUSTOM:
2040            # custom kernel load requires full path
2041            name = os.path.join(ModelUtilities.find_plugins_dir(), model_name+".py")
2042        try:
2043            kernel_module = generate.load_kernel_module(name)
2044        except ModuleNotFoundError as ex:
2045            pass
2046
2047        if kernel_module is None:
2048            # mismatch between "name" attribute and actual filename.
2049            curr_model = self.models[model_name]
2050            name, _ = os.path.splitext(os.path.basename(curr_model.filename))
2051            try:
2052                kernel_module = generate.load_kernel_module(name)
2053            except ModuleNotFoundError as ex:
2054                logging.error("Can't find the model "+ str(ex))
2055                return
2056
2057        if hasattr(kernel_module, 'parameters'):
2058            # built-in and custom models
2059            self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', []))
2060
2061        elif hasattr(kernel_module, 'model_info'):
2062            # for sum/multiply models
2063            self.model_parameters = kernel_module.model_info.parameters
2064
2065        elif hasattr(kernel_module, 'Model') and hasattr(kernel_module.Model, "_model_info"):
2066            # this probably won't work if there's no model_info, but just in case
2067            self.model_parameters = kernel_module.Model._model_info.parameters
2068        else:
2069            # no parameters - default to blank table
2070            msg = "No parameters found in model '{}'.".format(model_name)
2071            logger.warning(msg)
2072            self.model_parameters = modelinfo.ParameterTable([])
2073
2074        # Instantiate the current sasmodel
2075        self.kernel_module = self.models[model_name]()
2076
2077        # Explicitly add scale and background with default values
2078        temp_undo_state = self.undo_supported
2079        self.undo_supported = False
2080        self.addScaleToModel(self._model_model)
2081        self.addBackgroundToModel(self._model_model)
2082        self.undo_supported = temp_undo_state
2083
2084        self.shell_names = self.shellNamesList()
2085
2086        # Add heading row
2087        FittingUtilities.addHeadingRowToModel(self._model_model, model_name)
2088
2089        # Update the QModel
2090        FittingUtilities.addParametersToModel(
2091                self.model_parameters,
2092                self.kernel_module,
2093                self.is2D,
2094                self._model_model,
2095                self.lstParams)
2096
2097    def fromStructureFactorToQModel(self, structure_factor):
2098        """
2099        Setting model parameters into QStandardItemModel based on selected _structure factor_
2100        """
2101        if structure_factor is None or structure_factor=="None":
2102            return
2103
2104        product_params = None
2105
2106        if self.kernel_module is None:
2107            # Structure factor is the only selected model; build it and show all its params
2108            self.kernel_module = self.models[structure_factor]()
2109            s_params = self.kernel_module._model_info.parameters
2110            s_params_orig = s_params
2111        else:
2112            s_kernel = self.models[structure_factor]()
2113            p_kernel = self.kernel_module
2114
2115            p_pars_len = len(p_kernel._model_info.parameters.kernel_parameters)
2116            s_pars_len = len(s_kernel._model_info.parameters.kernel_parameters)
2117
2118            self.kernel_module = MultiplicationModel(p_kernel, s_kernel)
2119            all_params = self.kernel_module._model_info.parameters.kernel_parameters
2120            all_param_names = [param.name for param in all_params]
2121
2122            # S(Q) params from the product model are not necessarily the same as those from the S(Q) model; any
2123            # conflicting names with P(Q) params will cause a rename
2124
2125            if "radius_effective_mode" in all_param_names:
2126                # Show all parameters
2127                # In this case, radius_effective is NOT pruned by sasmodels.product
2128                s_params = modelinfo.ParameterTable(all_params[p_pars_len:p_pars_len+s_pars_len])
2129                s_params_orig = modelinfo.ParameterTable(s_kernel._model_info.parameters.kernel_parameters)
2130                product_params = modelinfo.ParameterTable(
2131                        self.kernel_module._model_info.parameters.kernel_parameters[p_pars_len+s_pars_len:])
2132            else:
2133                # Ensure radius_effective is not displayed
2134                s_params_orig = modelinfo.ParameterTable(s_kernel._model_info.parameters.kernel_parameters[1:])
2135                if "radius_effective" in all_param_names:
2136                    # In this case, radius_effective is NOT pruned by sasmodels.product
2137                    s_params = modelinfo.ParameterTable(all_params[p_pars_len+1:p_pars_len+s_pars_len])
2138                    product_params = modelinfo.ParameterTable(
2139                            self.kernel_module._model_info.parameters.kernel_parameters[p_pars_len+s_pars_len:])
2140                else:
2141                    # In this case, radius_effective is pruned by sasmodels.product
2142                    s_params = modelinfo.ParameterTable(all_params[p_pars_len:p_pars_len+s_pars_len-1])
2143                    product_params = modelinfo.ParameterTable(
2144                            self.kernel_module._model_info.parameters.kernel_parameters[p_pars_len+s_pars_len-1:])
2145
2146        # Add heading row
2147        FittingUtilities.addHeadingRowToModel(self._model_model, structure_factor)
2148
2149        # Get new rows for QModel
2150        # Any renamed parameters are stored as data in the relevant item, for later handling
2151        FittingUtilities.addSimpleParametersToModel(
2152                parameters=s_params,
2153                is2D=self.is2D,
2154                parameters_original=s_params_orig,
2155                model=self._model_model,
2156                view=self.lstParams)
2157
2158        # Insert product-only params into QModel
2159        if product_params:
2160            prod_rows = FittingUtilities.addSimpleParametersToModel(
2161                    parameters=product_params,
2162                    is2D=self.is2D,
2163                    parameters_original=None,
2164                    model=self._model_model,
2165                    view=self.lstParams,
2166                    row_num=2)
2167
2168            # Since this all happens after shells are dealt with and we've inserted rows, fix this counter
2169            self._n_shells_row += len(prod_rows)
2170
2171    def haveParamsToFit(self):
2172        """
2173        Finds out if there are any parameters ready to be fitted
2174        """
2175        return (self.main_params_to_fit!=[]
2176                or self.poly_params_to_fit!=[]
2177                or self.magnet_params_to_fit != []) and \
2178                self.logic.data_is_loaded
2179
2180    def onMainParamsChange(self, item):
2181        """
2182        Callback method for updating the sasmodel parameters with the GUI values
2183        """
2184        model_column = item.column()
2185
2186        if model_column == 0:
2187            self.checkboxSelected(item)
2188            self.cmdFit.setEnabled(self.haveParamsToFit())
2189            # Update state stack
2190            self.updateUndo()
2191            return
2192
2193        model_row = item.row()
2194        name_index = self._model_model.index(model_row, 0)
2195        name_item = self._model_model.itemFromIndex(name_index)
2196
2197        # Extract changed value.
2198        try:
2199            value = GuiUtils.toDouble(item.text())
2200        except TypeError:
2201            # Unparsable field
2202            return
2203
2204        # if the item has user data, this is the actual parameter name (e.g. to handle duplicate names)
2205        if name_item.data(QtCore.Qt.UserRole):
2206            parameter_name = str(name_item.data(QtCore.Qt.UserRole))
2207        else:
2208            parameter_name = str(self._model_model.data(name_index))
2209
2210        # Update the parameter value - note: this supports +/-inf as well
2211        self.kernel_module.params[parameter_name] = value
2212
2213        # Update the parameter value - note: this supports +/-inf as well
2214        param_column = self.lstParams.itemDelegate().param_value
2215        min_column = self.lstParams.itemDelegate().param_min
2216        max_column = self.lstParams.itemDelegate().param_max
2217        if model_column == param_column:
2218            self.kernel_module.setParam(parameter_name, value)
2219        elif model_column == min_column:
2220            # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf]
2221            self.kernel_module.details[parameter_name][1] = value
2222        elif model_column == max_column:
2223            self.kernel_module.details[parameter_name][2] = value
2224        else:
2225            # don't update the chart
2226            return
2227
2228        # TODO: magnetic params in self.kernel_module.details['M0:parameter_name'] = value
2229        # TODO: multishell params in self.kernel_module.details[??] = value
2230
2231        # Force the chart update when actual parameters changed
2232        if model_column == 1:
2233            self.recalculatePlotData()
2234
2235        # Update state stack
2236        self.updateUndo()
2237
2238    def isCheckable(self, row):
2239        return self._model_model.item(row, 0).isCheckable()
2240
2241    def checkboxSelected(self, item):
2242        # Assure we're dealing with checkboxes
2243        if not item.isCheckable():
2244            return
2245        status = item.checkState()
2246
2247        # If multiple rows selected - toggle all of them, filtering uncheckable
2248        # Switch off signaling from the model to avoid recursion
2249        self._model_model.blockSignals(True)
2250        # Convert to proper indices and set requested enablement
2251        self.setParameterSelection(status)
2252        self._model_model.blockSignals(False)
2253
2254        # update the list of parameters to fit
2255        self.main_params_to_fit = self.checkedListFromModel(self._model_model)
2256
2257    def checkedListFromModel(self, model):
2258        """
2259        Returns list of checked parameters for given model
2260        """
2261        def isChecked(row):
2262            return model.item(row, 0).checkState() == QtCore.Qt.Checked
2263
2264        return [str(model.item(row_index, 0).text())
2265                for row_index in range(model.rowCount())
2266                if isChecked(row_index)]
2267
2268    def createNewIndex(self, fitted_data):
2269        """
2270        Create a model or theory index with passed Data1D/Data2D
2271        """
2272        if self.data_is_loaded:
2273            if not fitted_data.name:
2274                name = self.nameForFittedData(self.data.filename)
2275                fitted_data.title = name
2276                fitted_data.name = name
2277                fitted_data.filename = name
2278                fitted_data.symbol = "Line"
2279            self.updateModelIndex(fitted_data)
2280        else:
2281            if not fitted_data.name:
2282                name = self.nameForFittedData(self.kernel_module.id)
2283            else:
2284                name = fitted_data.name
2285            fitted_data.title = name
2286            fitted_data.filename = name
2287            fitted_data.symbol = "Line"
2288            self.createTheoryIndex(fitted_data)
2289
2290    def updateModelIndex(self, fitted_data):
2291        """
2292        Update a QStandardModelIndex containing model data
2293        """
2294        name = self.nameFromData(fitted_data)
2295        # Make this a line if no other defined
2296        if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None:
2297            fitted_data.symbol = 'Line'
2298        # Notify the GUI manager so it can update the main model in DataExplorer
2299        GuiUtils.updateModelItemWithPlot(self.all_data[self.data_index], fitted_data, name)
2300
2301    def createTheoryIndex(self, fitted_data):
2302        """
2303        Create a QStandardModelIndex containing model data
2304        """
2305        name = self.nameFromData(fitted_data)
2306        # Notify the GUI manager so it can create the theory model in DataExplorer
2307        self.theory_item = GuiUtils.createModelItemWithPlot(fitted_data, name=name)
2308        self.communicate.updateTheoryFromPerspectiveSignal.emit(self.theory_item)
2309
2310    def nameFromData(self, fitted_data):
2311        """
2312        Return name for the dataset. Terribly impure function.
2313        """
2314        if fitted_data.name is None:
2315            name = self.nameForFittedData(self.logic.data.filename)
2316            fitted_data.title = name
2317            fitted_data.name = name
2318            fitted_data.filename = name
2319        else:
2320            name = fitted_data.name
2321        return name
2322
2323    def methodCalculateForData(self):
2324        '''return the method for data calculation'''
2325        return Calc1D if isinstance(self.data, Data1D) else Calc2D
2326
2327    def methodCompleteForData(self):
2328        '''return the method for result parsin on calc complete '''
2329        return self.completed1D if isinstance(self.data, Data1D) else self.completed2D
2330
2331    def updateKernelModelWithExtraParams(self, model=None):
2332        """
2333        Updates kernel model 'model' with extra parameters from
2334        the polydisp and magnetism tab, if the tabs are enabled
2335        """
2336        if model is None: return
2337        if not hasattr(model, 'setParam'): return
2338
2339        # add polydisperse parameters if asked
2340        if self.chkPolydispersity.isChecked():
2341            for key, value in self.poly_params.items():
2342                model.setParam(key, value)
2343        # add magnetic params if asked
2344        if self.chkMagnetism.isChecked():
2345            for key, value in self.magnet_params.items():
2346                model.setParam(key, value)
2347
2348    def calculateQGridForModelExt(self, data=None, model=None, completefn=None, use_threads=True):
2349        """
2350        Wrapper for Calc1D/2D calls
2351        """
2352        if data is None:
2353            data = self.data
2354        if model is None:
2355            model = copy.deepcopy(self.kernel_module)
2356            self.updateKernelModelWithExtraParams(model)
2357
2358        if completefn is None:
2359            completefn = self.methodCompleteForData()
2360        smearer = self.smearing_widget.smearer()
2361        weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting)
2362
2363        # Awful API to a backend method.
2364        calc_thread = self.methodCalculateForData()(data=data,
2365                                               model=model,
2366                                               page_id=0,
2367                                               qmin=self.q_range_min,
2368                                               qmax=self.q_range_max,
2369                                               smearer=smearer,
2370                                               state=None,
2371                                               weight=weight,
2372                                               fid=None,
2373                                               toggle_mode_on=False,
2374                                               completefn=completefn,
2375                                               update_chisqr=True,
2376                                               exception_handler=self.calcException,
2377                                               source=None)
2378        if use_threads:
2379            if LocalConfig.USING_TWISTED:
2380                # start the thread with twisted
2381                thread = threads.deferToThread(calc_thread.compute)
2382                thread.addCallback(completefn)
2383                thread.addErrback(self.calculateDataFailed)
2384            else:
2385                # Use the old python threads + Queue
2386                calc_thread.queue()
2387                calc_thread.ready(2.5)
2388        else:
2389            results = calc_thread.compute()
2390            completefn(results)
2391
2392    def calculateQGridForModel(self):
2393        """
2394        Prepare the fitting data object, based on current ModelModel
2395        """
2396        if self.kernel_module is None:
2397            return
2398        self.calculateQGridForModelExt()
2399
2400    def calculateDataFailed(self, reason):
2401        """
2402        Thread returned error
2403        """
2404        print("Calculate Data failed with ", reason)
2405
2406    def completed1D(self, return_data):
2407        self.Calc1DFinishedSignal.emit(return_data)
2408
2409    def completed2D(self, return_data):
2410        self.Calc2DFinishedSignal.emit(return_data)
2411
2412    def complete1D(self, return_data):
2413        """
2414        Plot the current 1D data
2415        """
2416        fitted_data = self.logic.new1DPlot(return_data, self.tab_id)
2417        residuals = self.calculateResiduals(fitted_data)
2418        self.model_data = fitted_data
2419        new_plots = [fitted_data]
2420        if residuals is not None:
2421            new_plots.append(residuals)
2422
2423        if self.data_is_loaded:
2424            #GuiUtils.deleteRedundantPlots(self.all_data[self.data_index], new_plots)
2425            pass
2426        else:
2427            # delete theory items for the model, in order to get rid of any redundant items, e.g. beta(Q), S_eff(Q)
2428            self.communicate.deleteIntermediateTheoryPlotsSignal.emit(self.kernel_module.id)
2429
2430        # Create plots for intermediate product data
2431        plots = self.logic.new1DProductPlots(return_data, self.tab_id)
2432        for plot in plots:
2433            plot.symbol = "Line"
2434            self.createNewIndex(plot)
2435            new_plots.append(plot)
2436
2437        for plot in new_plots:
2438            self.communicate.plotUpdateSignal.emit([plot])
2439
2440    def complete2D(self, return_data):
2441        """
2442        Plot the current 2D data
2443        """
2444        fitted_data = self.logic.new2DPlot(return_data)
2445        residuals = self.calculateResiduals(fitted_data)
2446        self.model_data = fitted_data
2447        new_plots = [fitted_data]
2448        if residuals is not None:
2449            new_plots.append(residuals)
2450
2451        # Update/generate plots
2452        for plot in new_plots:
2453            self.communicate.plotUpdateSignal.emit([plot])
2454
2455    def calculateResiduals(self, fitted_data):
2456        """
2457        Calculate and print Chi2 and display chart of residuals. Returns residuals plot object.
2458        """
2459        # Create a new index for holding data
2460        fitted_data.symbol = "Line"
2461
2462        # Modify fitted_data with weighting
2463        weighted_data = self.addWeightingToData(fitted_data)
2464
2465        self.createNewIndex(weighted_data)
2466        # Calculate difference between return_data and logic.data
2467        self.chi2 = FittingUtilities.calculateChi2(weighted_data, self.logic.data)
2468        # Update the control
2469        chi2_repr = "---" if self.chi2 is None else GuiUtils.formatNumber(self.chi2, high=True)
2470        self.lblChi2Value.setText(chi2_repr)
2471
2472        # Plot residuals if actual data
2473        if not self.data_is_loaded:
2474            return
2475
2476        residuals_plot = FittingUtilities.plotResiduals(self.data, weighted_data)
2477        residuals_plot.id = "Residual " + residuals_plot.id
2478        self.createNewIndex(residuals_plot)
2479        return residuals_plot
2480
2481    def onCategoriesChanged(self):
2482            """
2483            Reload the category/model comboboxes
2484            """
2485            # Store the current combo indices
2486            current_cat = self.cbCategory.currentText()
2487            current_model = self.cbModel.currentText()
2488
2489            # reread the category file and repopulate the combo
2490            self.cbCategory.blockSignals(True)
2491            self.cbCategory.clear()
2492            self.readCategoryInfo()
2493            self.initializeCategoryCombo()
2494
2495            # Scroll back to the original index in Categories
2496            new_index = self.cbCategory.findText(current_cat)
2497            if new_index != -1:
2498                self.cbCategory.setCurrentIndex(new_index)
2499            self.cbCategory.blockSignals(False)
2500            # ...and in the Models
2501            self.cbModel.blockSignals(True)
2502            new_index = self.cbModel.findText(current_model)
2503            if new_index != -1:
2504                self.cbModel.setCurrentIndex(new_index)
2505            self.cbModel.blockSignals(False)
2506
2507            return
2508
2509    def calcException(self, etype, value, tb):
2510        """
2511        Thread threw an exception.
2512        """
2513        # TODO: remimplement thread cancellation
2514        logging.error("".join(traceback.format_exception(etype, value, tb)))
2515
2516    def setTableProperties(self, table):
2517        """
2518        Setting table properties
2519        """
2520        # Table properties
2521        table.verticalHeader().setVisible(False)
2522        table.setAlternatingRowColors(True)
2523        table.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
2524        table.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows)
2525        table.resizeColumnsToContents()
2526
2527        # Header
2528        header = table.horizontalHeader()
2529        header.setSectionResizeMode(QtWidgets.QHeaderView.ResizeToContents)
2530        header.ResizeMode(QtWidgets.QHeaderView.Interactive)
2531
2532        # Qt5: the following 2 lines crash - figure out why!
2533        # Resize column 0 and 7 to content
2534        #header.setSectionResizeMode(0, QtWidgets.QHeaderView.ResizeToContents)
2535        #header.setSectionResizeMode(7, QtWidgets.QHeaderView.ResizeToContents)
2536
2537    def setPolyModel(self):
2538        """
2539        Set polydispersity values
2540        """
2541        if not self.model_parameters:
2542            return
2543        self._poly_model.clear()
2544
2545        parameters = self.model_parameters.form_volume_parameters
2546        if self.is2D:
2547            parameters += self.model_parameters.orientation_parameters
2548
2549        [self.setPolyModelParameters(i, param) for i, param in \
2550            enumerate(parameters) if param.polydisperse]
2551
2552        FittingUtilities.addPolyHeadersToModel(self._poly_model)
2553
2554    def setPolyModelParameters(self, i, param):
2555        """
2556        Standard of multishell poly parameter driver
2557        """
2558        param_name = param.name
2559        # see it the parameter is multishell
2560        if '[' in param.name:
2561            # Skip empty shells
2562            if self.current_shell_displayed == 0:
2563                return
2564            else:
2565                # Create as many entries as current shells
2566                for ishell in range(1, self.current_shell_displayed+1):
2567                    # Remove [n] and add the shell numeral
2568                    name = param_name[0:param_name.index('[')] + str(ishell)
2569                    self.addNameToPolyModel(i, name)
2570        else:
2571            # Just create a simple param entry
2572            self.addNameToPolyModel(i, param_name)
2573
2574    def addNameToPolyModel(self, i, param_name):
2575        """
2576        Creates a checked row in the poly model with param_name
2577        """
2578        # Polydisp. values from the sasmodel
2579        width = self.kernel_module.getParam(param_name + '.width')
2580        npts = self.kernel_module.getParam(param_name + '.npts')
2581        nsigs = self.kernel_module.getParam(param_name + '.nsigmas')
2582        _, min, max = self.kernel_module.details[param_name]
2583
2584        # Update local param dict
2585        self.poly_params[param_name + '.width'] = width
2586        self.poly_params[param_name + '.npts'] = npts
2587        self.poly_params[param_name + '.nsigmas'] = nsigs
2588
2589        # Construct a row with polydisp. related variable.
2590        # This will get added to the polydisp. model
2591        # Note: last argument needs extra space padding for decent display of the control
2592        checked_list = ["Distribution of " + param_name, str(width),
2593                        str(min), str(max),
2594                        str(npts), str(nsigs), "gaussian      ",'']
2595        FittingUtilities.addCheckedListToModel(self._poly_model, checked_list)
2596
2597        # All possible polydisp. functions as strings in combobox
2598        func = QtWidgets.QComboBox()
2599        func.addItems([str(name_disp) for name_disp in POLYDISPERSITY_MODELS.keys()])
2600        # Set the default index
2601        func.setCurrentIndex(func.findText(DEFAULT_POLYDISP_FUNCTION))
2602        ind = self._poly_model.index(i,self.lstPoly.itemDelegate().poly_function)
2603        self.lstPoly.setIndexWidget(ind, func)
2604        func.currentIndexChanged.connect(lambda: self.onPolyComboIndexChange(str(func.currentText()), i))
2605
2606    def onPolyFilenameChange(self, row_index):
2607        """
2608        Respond to filename_updated signal from the delegate
2609        """
2610        # For the given row, invoke the "array" combo handler
2611        array_caption = 'array'
2612
2613        # Get the combo box reference
2614        ind = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
2615        widget = self.lstPoly.indexWidget(ind)
2616
2617        # Update the combo box so it displays "array"
2618        widget.blockSignals(True)
2619        widget.setCurrentIndex(self.lstPoly.itemDelegate().POLYDISPERSE_FUNCTIONS.index(array_caption))
2620        widget.blockSignals(False)
2621
2622        # Invoke the file reader
2623        self.onPolyComboIndexChange(array_caption, row_index)
2624
2625    def onPolyComboIndexChange(self, combo_string, row_index):
2626        """
2627        Modify polydisp. defaults on function choice
2628        """
2629        # Get npts/nsigs for current selection
2630        param = self.model_parameters.form_volume_parameters[row_index]
2631        file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
2632        combo_box = self.lstPoly.indexWidget(file_index)
2633
2634        def updateFunctionCaption(row):
2635            # Utility function for update of polydispersity function name in the main model
2636            if not self.isCheckable(row):
2637                return
2638            self._model_model.blockSignals(True)
2639            param_name = str(self._model_model.item(row, 0).text())
2640            self._model_model.blockSignals(False)
2641            if param_name !=  param.name:
2642                return
2643            # Modify the param value
2644            self._model_model.blockSignals(True)
2645            if self.has_error_column:
2646                # err column changes the indexing
2647                self._model_model.item(row, 0).child(0).child(0,5).setText(combo_string)
2648            else:
2649                self._model_model.item(row, 0).child(0).child(0,4).setText(combo_string)
2650            self._model_model.blockSignals(False)
2651
2652        if combo_string == 'array':
2653            try:
2654                self.loadPolydispArray(row_index)
2655                # Update main model for display
2656                self.iterateOverModel(updateFunctionCaption)
2657                # disable the row
2658                lo = self.lstPoly.itemDelegate().poly_pd
2659                hi = self.lstPoly.itemDelegate().poly_function
2660                [self._poly_model.item(row_index, i).setEnabled(False) for i in range(lo, hi)]
2661                return
2662            except IOError:
2663                combo_box.setCurrentIndex(self.orig_poly_index)
2664                # Pass for cancel/bad read
2665                pass
2666
2667        # Enable the row in case it was disabled by Array
2668        self._poly_model.blockSignals(True)
2669        max_range = self.lstPoly.itemDelegate().poly_filename
2670        [self._poly_model.item(row_index, i).setEnabled(True) for i in range(7)]
2671        file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
2672        self._poly_model.setData(file_index, "")
2673        self._poly_model.blockSignals(False)
2674
2675        npts_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_npts)
2676        nsigs_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_nsigs)
2677
2678        npts = POLYDISPERSITY_MODELS[str(combo_string)].default['npts']
2679        nsigs = POLYDISPERSITY_MODELS[str(combo_string)].default['nsigmas']
2680
2681        self._poly_model.setData(npts_index, npts)
2682        self._poly_model.setData(nsigs_index, nsigs)
2683
2684        self.iterateOverModel(updateFunctionCaption)
2685        self.orig_poly_index = combo_box.currentIndex()
2686
2687    def loadPolydispArray(self, row_index):
2688        """
2689        Show the load file dialog and loads requested data into state
2690        """
2691        datafile = QtWidgets.QFileDialog.getOpenFileName(
2692            self, "Choose a weight file", "", "All files (*.*)", None,
2693            QtWidgets.QFileDialog.DontUseNativeDialog)[0]
2694
2695        if not datafile:
2696            logging.info("No weight data chosen.")
2697            raise IOError
2698
2699        values = []
2700        weights = []
2701        def appendData(data_tuple):
2702            """
2703            Fish out floats from a tuple of strings
2704            """
2705            try:
2706                values.append(float(data_tuple[0]))
2707                weights.append(float(data_tuple[1]))
2708            except (ValueError, IndexError):
2709                # just pass through if line with bad data
2710                return
2711
2712        with open(datafile, 'r') as column_file:
2713            column_data = [line.rstrip().split() for line in column_file.readlines()]
2714            [appendData(line) for line in column_data]
2715
2716        # If everything went well - update the sasmodel values
2717        self.disp_model = POLYDISPERSITY_MODELS['array']()
2718        self.disp_model.set_weights(np.array(values), np.array(weights))
2719        # + update the cell with filename
2720        fname = os.path.basename(str(datafile))
2721        fname_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
2722        self._poly_model.setData(fname_index, fname)
2723
2724    def setMagneticModel(self):
2725        """
2726        Set magnetism values on model
2727        """
2728        if not self.model_parameters:
2729            return
2730        self._magnet_model.clear()
2731        [self.addCheckedMagneticListToModel(param, self._magnet_model) for param in \
2732            self.model_parameters.call_parameters if param.type == 'magnetic']
2733        FittingUtilities.addHeadersToModel(self._magnet_model)
2734
2735    def shellNamesList(self):
2736        """
2737        Returns list of names of all multi-shell parameters
2738        E.g. for sld[n], radius[n], n=1..3 it will return
2739        [sld1, sld2, sld3, radius1, radius2, radius3]
2740        """
2741        multi_names = [p.name[:p.name.index('[')] for p in self.model_parameters.iq_parameters if '[' in p.name]
2742        top_index = self.kernel_module.multiplicity_info.number
2743        shell_names = []
2744        for i in range(1, top_index+1):
2745            for name in multi_names:
2746                shell_names.append(name+str(i))
2747        return shell_names
2748
2749    def addCheckedMagneticListToModel(self, param, model):
2750        """
2751        Wrapper for model update with a subset of magnetic parameters
2752        """
2753        if param.name[param.name.index(':')+1:] in self.shell_names:
2754            # check if two-digit shell number
2755            try:
2756                shell_index = int(param.name[-2:])
2757            except ValueError:
2758                shell_index = int(param.name[-1:])
2759
2760            if shell_index > self.current_shell_displayed:
2761                return
2762
2763        checked_list = [param.name,
2764                        str(param.default),
2765                        str(param.limits[0]),
2766                        str(param.limits[1]),
2767                        param.units]
2768
2769        self.magnet_params[param.name] = param.default
2770
2771        FittingUtilities.addCheckedListToModel(model, checked_list)
2772
2773    def enableStructureFactorControl(self, structure_factor):
2774        """
2775        Add structure factors to the list of parameters
2776        """
2777        if self.kernel_module.is_form_factor or structure_factor == 'None':
2778            self.enableStructureCombo()
2779        else:
2780            self.disableStructureCombo()
2781
2782    def addExtraShells(self):
2783        """
2784        Add a combobox for multiple shell display
2785        """
2786        param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters)
2787
2788        if param_length == 0:
2789            return
2790
2791        # cell 1: variable name
2792        item1 = QtGui.QStandardItem(param_name)
2793
2794        func = QtWidgets.QComboBox()
2795        # Available range of shells displayed in the combobox
2796        func.addItems([str(i) for i in range(param_length+1)])
2797
2798        # Respond to index change
2799        func.currentIndexChanged.connect(self.modifyShellsInList)
2800
2801        # cell 2: combobox
2802        item2 = QtGui.QStandardItem()
2803        self._model_model.appendRow([item1, item2])
2804
2805        # Beautify the row:  span columns 2-4
2806        shell_row = self._model_model.rowCount()
2807        shell_index = self._model_model.index(shell_row-1, 1)
2808
2809        self.lstParams.setIndexWidget(shell_index, func)
2810        self._n_shells_row = shell_row - 1
2811
2812        # Set the index to the state-kept value
2813        func.setCurrentIndex(self.current_shell_displayed
2814                             if self.current_shell_displayed < func.count() else 0)
2815
2816    def modifyShellsInList(self, index):
2817        """
2818        Add/remove additional multishell parameters
2819        """
2820        # Find row location of the combobox
2821        first_row = self._n_shells_row + 1
2822        remove_rows = self._num_shell_params
2823
2824        if remove_rows > 1:
2825            self._model_model.removeRows(first_row, remove_rows)
2826
2827        new_rows = FittingUtilities.addShellsToModel(
2828                self.model_parameters,
2829                self._model_model,
2830                index,
2831                first_row,
2832                self.lstParams)
2833
2834        self._num_shell_params = len(new_rows)
2835        self.current_shell_displayed = index
2836
2837        # Change 'n' in the parameter model, thereby updating the underlying model
2838        self._model_model.item(self._n_shells_row, 1).setText(str(index))
2839
2840        # Update relevant models
2841        self.setPolyModel()
2842        self.setMagneticModel()
2843
2844    def setFittingStarted(self):
2845        """
2846        Set buttion caption on fitting start
2847        """
2848        # Notify the user that fitting is being run
2849        # Allow for stopping the job
2850        self.cmdFit.setStyleSheet('QPushButton {color: red;}')
2851        self.cmdFit.setText('Stop fit')
2852
2853    def setFittingStopped(self):
2854        """
2855        Set button caption on fitting stop
2856        """
2857        # Notify the user that fitting is available
2858        self.cmdFit.setStyleSheet('QPushButton {color: black;}')
2859        self.cmdFit.setText("Fit")
2860        self.fit_started = False
2861
2862    def readFitPage(self, fp):
2863        """
2864        Read in state from a fitpage object and update GUI
2865        """
2866        assert isinstance(fp, FitPage)
2867        # Main tab info
2868        self.logic.data.filename = fp.filename
2869        self.data_is_loaded = fp.data_is_loaded
2870        self.chkPolydispersity.setCheckState(fp.is_polydisperse)
2871        self.chkMagnetism.setCheckState(fp.is_magnetic)
2872        self.chk2DView.setCheckState(fp.is2D)
2873
2874        # Update the comboboxes
2875        self.cbCategory.setCurrentIndex(self.cbCategory.findText(fp.current_category))
2876        self.cbModel.setCurrentIndex(self.cbModel.findText(fp.current_model))
2877        if fp.current_factor:
2878            self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(fp.current_factor))
2879
2880        self.chi2 = fp.chi2
2881
2882        # Options tab
2883        self.q_range_min = fp.fit_options[fp.MIN_RANGE]
2884        self.q_range_max = fp.fit_options[fp.MAX_RANGE]
2885        self.npts = fp.fit_options[fp.NPTS]
2886        self.log_points = fp.fit_options[fp.LOG_POINTS]
2887        self.weighting = fp.fit_options[fp.WEIGHTING]
2888
2889        # Models
2890        self._model_model = fp.model_model
2891        self._poly_model = fp.poly_model
2892        self._magnet_model = fp.magnetism_model
2893
2894        # Resolution tab
2895        smearing = fp.smearing_options[fp.SMEARING_OPTION]
2896        accuracy = fp.smearing_options[fp.SMEARING_ACCURACY]
2897        smearing_min = fp.smearing_options[fp.SMEARING_MIN]
2898        smearing_max = fp.smearing_options[fp.SMEARING_MAX]
2899        self.smearing_widget.setState(smearing, accuracy, smearing_min, smearing_max)
2900
2901        # TODO: add polidyspersity and magnetism
2902
2903    def saveToFitPage(self, fp):
2904        """
2905        Write current state to the given fitpage
2906        """
2907        assert isinstance(fp, FitPage)
2908
2909        # Main tab info
2910        fp.filename = self.logic.data.filename
2911        fp.data_is_loaded = self.data_is_loaded
2912        fp.is_polydisperse = self.chkPolydispersity.isChecked()
2913        fp.is_magnetic = self.chkMagnetism.isChecked()
2914        fp.is2D = self.chk2DView.isChecked()
2915        fp.data = self.data
2916
2917        # Use current models - they contain all the required parameters
2918        fp.model_model = self._model_model
2919        fp.poly_model = self._poly_model
2920        fp.magnetism_model = self._magnet_model
2921
2922        if self.cbCategory.currentIndex() != 0:
2923            fp.current_category = str(self.cbCategory.currentText())
2924            fp.current_model = str(self.cbModel.currentText())
2925
2926        if self.cbStructureFactor.isEnabled() and self.cbStructureFactor.currentIndex() != 0:
2927            fp.current_factor = str(self.cbStructureFactor.currentText())
2928        else:
2929            fp.current_factor = ''
2930
2931        fp.chi2 = self.chi2
2932        fp.main_params_to_fit = self.main_params_to_fit
2933        fp.poly_params_to_fit = self.poly_params_to_fit
2934        fp.magnet_params_to_fit = self.magnet_params_to_fit
2935        fp.kernel_module = self.kernel_module
2936
2937        # Algorithm options
2938        # fp.algorithm = self.parent.fit_options.selected_id
2939
2940        # Options tab
2941        fp.fit_options[fp.MIN_RANGE] = self.q_range_min
2942        fp.fit_options[fp.MAX_RANGE] = self.q_range_max
2943        fp.fit_options[fp.NPTS] = self.npts
2944        #fp.fit_options[fp.NPTS_FIT] = self.npts_fit
2945        fp.fit_options[fp.LOG_POINTS] = self.log_points
2946        fp.fit_options[fp.WEIGHTING] = self.weighting
2947
2948        # Resolution tab
2949        smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state()
2950        fp.smearing_options[fp.SMEARING_OPTION] = smearing
2951        fp.smearing_options[fp.SMEARING_ACCURACY] = accuracy
2952        fp.smearing_options[fp.SMEARING_MIN] = smearing_min
2953        fp.smearing_options[fp.SMEARING_MAX] = smearing_max
2954
2955        # TODO: add polidyspersity and magnetism
2956
2957    def updateUndo(self):
2958        """
2959        Create a new state page and add it to the stack
2960        """
2961        if self.undo_supported:
2962            self.pushFitPage(self.currentState())
2963
2964    def currentState(self):
2965        """
2966        Return fit page with current state
2967        """
2968        new_page = FitPage()
2969        self.saveToFitPage(new_page)
2970
2971        return new_page
2972
2973    def pushFitPage(self, new_page):
2974        """
2975        Add a new fit page object with current state
2976        """
2977        self.page_stack.append(new_page)
2978
2979    def popFitPage(self):
2980        """
2981        Remove top fit page from stack
2982        """
2983        if self.page_stack:
2984            self.page_stack.pop()
2985
2986    def getReport(self):
2987        """
2988        Create and return HTML report with parameters and charts
2989        """
2990        index = None
2991        if self.all_data:
2992            index = self.all_data[self.data_index]
2993        else:
2994            index = self.theory_item
2995        report_logic = ReportPageLogic(self,
2996                                       kernel_module=self.kernel_module,
2997                                       data=self.data,
2998                                       index=index,
2999                                       model=self._model_model)
3000
3001        return report_logic.reportList()
3002
3003    def savePageState(self):
3004        """
3005        Create and serialize local PageState
3006        """
3007        from sas.sascalc.fit.pagestate import Reader
3008        model = self.kernel_module
3009
3010        # Old style PageState object
3011        state = PageState(model=model, data=self.data)
3012
3013        # Add parameter data to the state
3014        self.getCurrentFitState(state)
3015
3016        # Create the filewriter, aptly named 'Reader'
3017        state_reader = Reader(self.loadPageStateCallback)
3018        filepath = self.saveAsAnalysisFile()
3019        if filepath is None or filepath == "":
3020            return
3021        state_reader.write(filename=filepath, fitstate=state)
3022        pass
3023
3024    def saveAsAnalysisFile(self):
3025        """
3026        Show the save as... dialog and return the chosen filepath
3027        """
3028        default_name = "FitPage"+str(self.tab_id)+".fitv"
3029
3030        wildcard = "fitv files (*.fitv)"
3031        kwargs = {
3032            'caption'   : 'Save As',
3033            'directory' : default_name,
3034            'filter'    : wildcard,
3035            'parent'    : None,
3036        }
3037        # Query user for filename.
3038        filename_tuple = QtWidgets.QFileDialog.getSaveFileName(**kwargs)
3039        filename = filename_tuple[0]
3040        return filename
3041
3042    def loadPageStateCallback(self,state=None, datainfo=None, format=None):
3043        """
3044        This is a callback method called from the CANSAS reader.
3045        We need the instance of this reader only for writing out a file,
3046        so there's nothing here.
3047        Until Load Analysis is implemented, that is.
3048        """
3049        pass
3050
3051    def loadPageState(self, pagestate=None):
3052        """
3053        Load the PageState object and update the current widget
3054        """
3055        pass
3056
3057    def getCurrentFitState(self, state=None):
3058        """
3059        Store current state for fit_page
3060        """
3061        # save model option
3062        #if self.model is not None:
3063        #    self.disp_list = self.getDispParamList()
3064        #    state.disp_list = copy.deepcopy(self.disp_list)
3065        #    #state.model = self.model.clone()
3066
3067        # Comboboxes
3068        state.categorycombobox = self.cbCategory.currentText()
3069        state.formfactorcombobox = self.cbModel.currentText()
3070        if self.cbStructureFactor.isEnabled():
3071            state.structurecombobox = self.cbStructureFactor.currentText()
3072        state.tcChi = self.chi2
3073
3074        state.enable2D = self.is2D
3075
3076        #state.weights = copy.deepcopy(self.weights)
3077        # save data
3078        state.data = copy.deepcopy(self.data)
3079
3080        # save plotting range
3081        state.qmin = self.q_range_min
3082        state.qmax = self.q_range_max
3083        state.npts = self.npts
3084
3085        #    self.state.enable_disp = self.enable_disp.GetValue()
3086        #    self.state.disable_disp = self.disable_disp.GetValue()
3087
3088        #    self.state.enable_smearer = \
3089        #                        copy.deepcopy(self.enable_smearer.GetValue())
3090        #    self.state.disable_smearer = \
3091        #                        copy.deepcopy(self.disable_smearer.GetValue())
3092
3093        #self.state.pinhole_smearer = \
3094        #                        copy.deepcopy(self.pinhole_smearer.GetValue())
3095        #self.state.slit_smearer = copy.deepcopy(self.slit_smearer.GetValue())
3096        #self.state.dI_noweight = copy.deepcopy(self.dI_noweight.GetValue())
3097        #self.state.dI_didata = copy.deepcopy(self.dI_didata.GetValue())
3098        #self.state.dI_sqrdata = copy.deepcopy(self.dI_sqrdata.GetValue())
3099        #self.state.dI_idata = copy.deepcopy(self.dI_idata.GetValue())
3100
3101        p = self.model_parameters
3102        # save checkbutton state and txtcrtl values
3103        state.parameters = FittingUtilities.getStandardParam(self._model_model)
3104        state.orientation_params_disp = FittingUtilities.getOrientationParam(self.kernel_module)
3105
3106        #self._copy_parameters_state(self.orientation_params_disp, self.state.orientation_params_disp)
3107        #self._copy_parameters_state(self.parameters, self.state.parameters)
3108        #self._copy_parameters_state(self.fittable_param, self.state.fittable_param)
3109        #self._copy_parameters_state(self.fixed_param, self.state.fixed_param)
3110
3111    def onParameterCopy(self, format=None):
3112        """
3113        Copy current parameters into the clipboard
3114        """
3115        # run a loop over all parameters and pull out
3116        # first - regular params
3117        param_list = []
3118
3119        param_list.append(['model_name', str(self.cbModel.currentText())])
3120        def gatherParams(row):
3121            """
3122            Create list of main parameters based on _model_model
3123            """
3124            param_name = str(self._model_model.item(row, 0).text())
3125            param_checked = str(self._model_model.item(row, 0).checkState() == QtCore.Qt.Checked)
3126            param_value = str(self._model_model.item(row, 1).text())
3127            param_error = None
3128            param_min = None
3129            param_max = None
3130            column_offset = 0
3131            if self.has_error_column:
3132                param_error = str(self._model_model.item(row, 2).text())
3133                column_offset = 1
3134
3135            try:
3136                param_min = str(self._model_model.item(row, 2+column_offset).text())
3137                param_max = str(self._model_model.item(row, 3+column_offset).text())
3138            except:
3139                pass
3140
3141            param_list.append([param_name, param_checked, param_value, param_error, param_min, param_max])
3142
3143        def gatherPolyParams(row):
3144            """
3145            Create list of polydisperse parameters based on _poly_model
3146            """
3147            param_name = str(self._poly_model.item(row, 0).text()).split()[-1]
3148            param_checked = str(self._poly_model.item(row, 0).checkState() == QtCore.Qt.Checked)
3149            param_value = str(self._poly_model.item(row, 1).text())
3150            param_error = None
3151            column_offset = 0
3152            if self.has_poly_error_column:
3153                param_error = str(self._poly_model.item(row, 2).text())
3154                column_offset = 1
3155            param_min   = str(self._poly_model.item(row, 2+column_offset).text())
3156            param_max   = str(self._poly_model.item(row, 3+column_offset).text())
3157            param_npts  = str(self._poly_model.item(row, 4+column_offset).text())
3158            param_nsigs = str(self._poly_model.item(row, 5+column_offset).text())
3159            param_fun   = str(self._poly_model.item(row, 6+column_offset).text()).rstrip()
3160            # width
3161            name = param_name+".width"
3162            param_list.append([name, param_checked, param_value, param_error,
3163                                param_npts, param_nsigs, param_min, param_max, param_fun])
3164
3165        def gatherMagnetParams(row):
3166            """
3167            Create list of magnetic parameters based on _magnet_model
3168            """
3169            param_name = str(self._magnet_model.item(row, 0).text())
3170            param_checked = str(self._magnet_model.item(row, 0).checkState() == QtCore.Qt.Checked)
3171            param_value = str(self._magnet_model.item(row, 1).text())
3172            param_error = None
3173            column_offset = 0
3174            if self.has_magnet_error_column:
3175                param_error = str(self._magnet_model.item(row, 2).text())
3176                column_offset = 1
3177            param_min = str(self._magnet_model.item(row, 2+column_offset).text())
3178            param_max = str(self._magnet_model.item(row, 3+column_offset).text())
3179            param_list.append([param_name, param_checked, param_value, param_error, param_min, param_max])
3180
3181        self.iterateOverModel(gatherParams)
3182        if self.chkPolydispersity.isChecked():
3183            self.iterateOverPolyModel(gatherPolyParams)
3184        if self.chkMagnetism.isChecked() and self.chkMagnetism.isEnabled():
3185            self.iterateOverMagnetModel(gatherMagnetParams)
3186
3187        if format=="":
3188            formatted_output = FittingUtilities.formatParameters(param_list)
3189        elif format == "Excel":
3190            formatted_output = FittingUtilities.formatParametersExcel(param_list[1:])
3191        elif format == "Latex":
3192            formatted_output = FittingUtilities.formatParametersLatex(param_list[1:])
3193        else:
3194            raise AttributeError("Bad format specifier.")
3195
3196        # Dump formatted_output to the clipboard
3197        cb = QtWidgets.QApplication.clipboard()
3198        cb.setText(formatted_output)
3199
3200    def onParameterPaste(self):
3201        """
3202        Use the clipboard to update fit state
3203        """
3204        # Check if the clipboard contains right stuff
3205        cb = QtWidgets.QApplication.clipboard()
3206        cb_text = cb.text()
3207
3208        context = {}
3209        # put the text into dictionary
3210        lines = cb_text.split(':')
3211        if lines[0] != 'sasview_parameter_values':
3212            return False
3213
3214        model = lines[1].split(',')
3215
3216        if model[0] != 'model_name':
3217            return False
3218
3219        context['model_name'] = [model[1]]
3220        for line in lines[2:-1]:
3221            if len(line) != 0:
3222                item = line.split(',')
3223                check = item[1]
3224                name = item[0]
3225                value = item[2]
3226                # Transfer the text to content[dictionary]
3227                context[name] = [check, value]
3228
3229                # limits
3230                try:
3231                    limit_lo = item[3]
3232                    context[name].append(limit_lo)
3233                    limit_hi = item[4]
3234                    context[name].append(limit_hi)
3235                except:
3236                    pass
3237
3238                # Polydisp
3239                if len(item) > 5:
3240                    value = item[5]
3241                    context[name].append(value)
3242                    try:
3243                        value = item[6]
3244                        context[name].append(value)
3245                        value = item[7]
3246                        context[name].append(value)
3247                    except IndexError:
3248                        pass
3249
3250        if str(self.cbModel.currentText()) != str(context['model_name'][0]):
3251            msg = QtWidgets.QMessageBox()
3252            msg.setIcon(QtWidgets.QMessageBox.Information)
3253            msg.setText("The model in the clipboard is not the same as the currently loaded model. \
3254                         Not all parameters saved may paste correctly.")
3255            msg.setStandardButtons(QtWidgets.QMessageBox.Ok | QtWidgets.QMessageBox.Cancel)
3256            result = msg.exec_()
3257            if result == QtWidgets.QMessageBox.Ok:
3258                pass
3259            else:
3260                return
3261
3262        self.updateFullModel(context)
3263        self.updateFullPolyModel(context)
3264
3265    def updateFullModel(self, param_dict):
3266        """
3267        Update the model with new parameters
3268        """
3269        assert isinstance(param_dict, dict)
3270        if not dict:
3271            return
3272
3273        def updateFittedValues(row):
3274            # Utility function for main model update
3275            # internal so can use closure for param_dict
3276            param_name = str(self._model_model.item(row, 0).text())
3277            if param_name not in list(param_dict.keys()):
3278                return
3279            # checkbox state
3280            param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked
3281            self._model_model.item(row, 0).setCheckState(param_checked)
3282
3283            # modify the param value
3284            param_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
3285            self._model_model.item(row, 1).setText(param_repr)
3286
3287            # Potentially the error column
3288            ioffset = 0
3289            if len(param_dict[param_name])>4 and self.has_error_column:
3290                # error values are not editable - no need to update
3291                #error_repr = GuiUtils.formatNumber(param_dict[param_name][2], high=True)
3292                #self._model_model.item(row, 2).setText(error_repr)
3293                ioffset = 1
3294            # min/max
3295            try:
3296                param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True)
3297                self._model_model.item(row, 2+ioffset).setText(param_repr)
3298                param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True)
3299                self._model_model.item(row, 3+ioffset).setText(param_repr)
3300            except:
3301                pass
3302
3303            self.setFocus()
3304
3305
3306
3307        # block signals temporarily, so we don't end up
3308        # updating charts with every single model change on the end of fitting
3309        self._model_model.blockSignals(True)
3310        self.iterateOverModel(updateFittedValues)
3311        self._model_model.blockSignals(False)
3312
3313
3314    def updateFullPolyModel(self, param_dict):
3315        """
3316        Update the polydispersity model with new parameters, create the errors column
3317        """
3318        assert isinstance(param_dict, dict)
3319        if not dict:
3320            return
3321
3322        def updateFittedValues(row):
3323            # Utility function for main model update
3324            # internal so can use closure for param_dict
3325            if row >= self._poly_model.rowCount():
3326                return
3327            param_name = str(self._poly_model.item(row, 0).text()).rsplit()[-1] + '.width'
3328            if param_name not in list(param_dict.keys()):
3329                return
3330            # checkbox state
3331            param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked
3332            self._poly_model.item(row,0).setCheckState(param_checked)
3333
3334            # modify the param value
3335            param_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
3336            self._poly_model.item(row, 1).setText(param_repr)
3337
3338            # Potentially the error column
3339            ioffset = 0
3340            if len(param_dict[param_name])>4 and self.has_poly_error_column:
3341                ioffset = 1
3342            # min
3343            param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True)
3344            self._poly_model.item(row, 2+ioffset).setText(param_repr)
3345            # max
3346            param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True)
3347            self._poly_model.item(row, 3+ioffset).setText(param_repr)
3348            # Npts
3349            param_repr = GuiUtils.formatNumber(param_dict[param_name][4+ioffset], high=True)
3350            self._poly_model.item(row, 4+ioffset).setText(param_repr)
3351            # Nsigs
3352            param_repr = GuiUtils.formatNumber(param_dict[param_name][5+ioffset], high=True)
3353            self._poly_model.item(row, 5+ioffset).setText(param_repr)
3354
3355            param_repr = GuiUtils.formatNumber(param_dict[param_name][5+ioffset], high=True)
3356            self._poly_model.item(row, 5+ioffset).setText(param_repr)
3357            self.setFocus()
3358
3359        # block signals temporarily, so we don't end up
3360        # updating charts with every single model change on the end of fitting
3361        self._poly_model.blockSignals(True)
3362        self.iterateOverPolyModel(updateFittedValues)
3363        self._poly_model.blockSignals(False)
3364
3365
3366
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