source: sasview/src/sas/qtgui/Perspectives/Fitting/FittingWidget.py @ adf1c2a

ESS_GUIESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalc
Last change on this file since adf1c2a was adf1c2a, checked in by Torin Cooper-Bennun <torin.cooper-bennun@…>, 23 months ago

Merge branch 'ESS_GUI' into ESS_GUI_iss1052

  • Property mode set to 100644
File size: 139.6 KB
Line 
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
30from sas.qtgui.Plotting.Plotter import PlotterWidget
31
32from sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI import Ui_FittingWidgetUI
33from sas.qtgui.Perspectives.Fitting.FitThread import FitThread
34from sas.qtgui.Perspectives.Fitting.ConsoleUpdate import ConsoleUpdate
35
36from sas.qtgui.Perspectives.Fitting.ModelThread import Calc1D
37from sas.qtgui.Perspectives.Fitting.ModelThread import Calc2D
38from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic
39from sas.qtgui.Perspectives.Fitting import FittingUtilities
40from sas.qtgui.Perspectives.Fitting import ModelUtilities
41from sas.qtgui.Perspectives.Fitting.SmearingWidget import SmearingWidget
42from sas.qtgui.Perspectives.Fitting.OptionsWidget import OptionsWidget
43from sas.qtgui.Perspectives.Fitting.FitPage import FitPage
44from sas.qtgui.Perspectives.Fitting.ViewDelegate import ModelViewDelegate
45from sas.qtgui.Perspectives.Fitting.ViewDelegate import PolyViewDelegate
46from sas.qtgui.Perspectives.Fitting.ViewDelegate import MagnetismViewDelegate
47from sas.qtgui.Perspectives.Fitting.Constraint import Constraint
48from sas.qtgui.Perspectives.Fitting.MultiConstraint import MultiConstraint
49from sas.qtgui.Perspectives.Fitting.ReportPageLogic import ReportPageLogic
50
51TAB_MAGNETISM = 4
52TAB_POLY = 3
53CATEGORY_DEFAULT = "Choose category..."
54CATEGORY_STRUCTURE = "Structure Factor"
55CATEGORY_CUSTOM = "Plugin Models"
56STRUCTURE_DEFAULT = "None"
57
58DEFAULT_POLYDISP_FUNCTION = 'gaussian'
59
60# CRUFT: remove when new release of sasmodels is available
61# https://github.com/SasView/sasview/pull/181#discussion_r218135162
62from sasmodels.sasview_model import SasviewModel
63if not hasattr(SasviewModel, 'get_weights'):
64    def get_weights(self, name):
65        """
66        Returns the polydispersity distribution for parameter *name* as *value* and *weight* arrays.
67        """
68        # type: (str) -> Tuple(np.ndarray, np.ndarray)
69        _, x, w = self._get_weights(self._model_info.parameters[name])
70        return x, w
71
72    SasviewModel.get_weights = get_weights
73
74logger = logging.getLogger(__name__)
75
76class ToolTippedItemModel(QtGui.QStandardItemModel):
77    """
78    Subclass from QStandardItemModel to allow displaying tooltips in
79    QTableView model.
80    """
81    def __init__(self, parent=None):
82        QtGui.QStandardItemModel.__init__(self, parent)
83
84    def headerData(self, section, orientation, role=QtCore.Qt.DisplayRole):
85        """
86        Displays tooltip for each column's header
87        :param section:
88        :param orientation:
89        :param role:
90        :return:
91        """
92        if role == QtCore.Qt.ToolTipRole:
93            if orientation == QtCore.Qt.Horizontal:
94                return str(self.header_tooltips[section])
95
96        return QtGui.QStandardItemModel.headerData(self, section, orientation, role)
97
98class FittingWidget(QtWidgets.QWidget, Ui_FittingWidgetUI):
99    """
100    Main widget for selecting form and structure factor models
101    """
102    constraintAddedSignal = QtCore.pyqtSignal(list)
103    newModelSignal = QtCore.pyqtSignal()
104    fittingFinishedSignal = QtCore.pyqtSignal(tuple)
105    batchFittingFinishedSignal = QtCore.pyqtSignal(tuple)
106    Calc1DFinishedSignal = QtCore.pyqtSignal(dict)
107    Calc2DFinishedSignal = QtCore.pyqtSignal(dict)
108
109    def __init__(self, parent=None, data=None, tab_id=1):
110
111        super(FittingWidget, self).__init__()
112
113        # Necessary globals
114        self.parent = parent
115
116        # Which tab is this widget displayed in?
117        self.tab_id = tab_id
118
119        # Globals
120        self.initializeGlobals()
121
122        # data index for the batch set
123        self.data_index = 0
124        # Main Data[12]D holders
125        # Logics.data contains a single Data1D/Data2D object
126        self._logic = [FittingLogic()]
127
128        # Main GUI setup up
129        self.setupUi(self)
130        self.setWindowTitle("Fitting")
131
132        # Set up tabs widgets
133        self.initializeWidgets()
134
135        # Set up models and views
136        self.initializeModels()
137
138        # Defaults for the structure factors
139        self.setDefaultStructureCombo()
140
141        # Make structure factor and model CBs disabled
142        self.disableModelCombo()
143        self.disableStructureCombo()
144
145        # Generate the category list for display
146        self.initializeCategoryCombo()
147
148        # Initial control state
149        self.initializeControls()
150
151        QtWidgets.QApplication.processEvents()
152
153        # Connect signals to controls
154        self.initializeSignals()
155
156        if data is not None:
157            self.data = data
158
159        # New font to display angstrom symbol
160        new_font = 'font-family: -apple-system, "Helvetica Neue", "Ubuntu";'
161        self.label_17.setStyleSheet(new_font)
162        self.label_19.setStyleSheet(new_font)
163
164    @property
165    def logic(self):
166        # make sure the logic contains at least one element
167        assert self._logic
168        # logic connected to the currently shown data
169        return self._logic[self.data_index]
170
171    @property
172    def data(self):
173        return self.logic.data
174
175    @data.setter
176    def data(self, value):
177        """ data setter """
178        # Value is either a list of indices for batch fitting or a simple index
179        # for standard fitting. Assure we have a list, regardless.
180        if isinstance(value, list):
181            self.is_batch_fitting = True
182        else:
183            value = [value]
184
185        assert isinstance(value[0], QtGui.QStandardItem)
186
187        # Keep reference to all datasets for batch
188        self.all_data = value
189
190        # Create logics with data items
191        # Logics.data contains only a single Data1D/Data2D object
192        if len(value) == 1:
193            # single data logic is already defined, update data on it
194            self._logic[0].data = GuiUtils.dataFromItem(value[0])
195        else:
196            # batch datasets
197            self._logic = []
198            for data_item in value:
199                logic = FittingLogic(data=GuiUtils.dataFromItem(data_item))
200                self._logic.append(logic)
201
202        # Overwrite data type descriptor
203
204        self.is2D = True if isinstance(self.logic.data, Data2D) else False
205
206        # Let others know we're full of data now
207        self.data_is_loaded = True
208
209        # Enable/disable UI components
210        self.setEnablementOnDataLoad()
211
212    def initializeGlobals(self):
213        """
214        Initialize global variables used in this class
215        """
216        # SasModel is loaded
217        self.model_is_loaded = False
218        # Data[12]D passed and set
219        self.data_is_loaded = False
220        # Batch/single fitting
221        self.is_batch_fitting = False
222        self.is_chain_fitting = False
223        # Is the fit job running?
224        self.fit_started = False
225        # The current fit thread
226        self.calc_fit = None
227        # Current SasModel in view
228        self.kernel_module = None
229        # Current SasModel view dimension
230        self.is2D = False
231        # Current SasModel is multishell
232        self.model_has_shells = False
233        # Utility variable to enable unselectable option in category combobox
234        self._previous_category_index = 0
235        # Utility variables for multishell display
236        self._n_shells_row = 0
237        self._num_shell_params = 0
238        # Dictionary of {model name: model class} for the current category
239        self.models = {}
240        # Parameters to fit
241        self.main_params_to_fit = []
242        self.poly_params_to_fit = []
243        self.magnet_params_to_fit = []
244
245        # Fit options
246        self.q_range_min = 0.005
247        self.q_range_max = 0.1
248        self.npts = 25
249        self.log_points = False
250        self.weighting = 0
251        self.chi2 = None
252        # Does the control support UNDO/REDO
253        # temporarily off
254        self.undo_supported = False
255        self.page_stack = []
256        self.all_data = []
257        # custom plugin models
258        # {model.name:model}
259        self.custom_models = self.customModels()
260        # Polydisp widget table default index for function combobox
261        self.orig_poly_index = 3
262        # copy of current kernel model
263        self.kernel_module_copy = None
264
265        # dictionaries of current params
266        self.poly_params = {}
267        self.magnet_params = {}
268
269        # Page id for fitting
270        # To keep with previous SasView values, use 200 as the start offset
271        self.page_id = 200 + self.tab_id
272
273        # Data for chosen model
274        self.model_data = None
275
276        # Which shell is being currently displayed?
277        self.current_shell_displayed = 0
278        # List of all shell-unique parameters
279        self.shell_names = []
280
281        # Error column presence in parameter display
282        self.has_error_column = False
283        self.has_poly_error_column = False
284        self.has_magnet_error_column = False
285
286        # If the widget generated theory item, save it
287        self.theory_item = None
288
289        # list column widths
290        self.lstParamHeaderSizes = {}
291
292        # signal communicator
293        self.communicate = self.parent.communicate
294
295    def initializeWidgets(self):
296        """
297        Initialize widgets for tabs
298        """
299        # Options widget
300        layout = QtWidgets.QGridLayout()
301        self.options_widget = OptionsWidget(self, self.logic)
302        layout.addWidget(self.options_widget)
303        self.tabOptions.setLayout(layout)
304
305        # Smearing widget
306        layout = QtWidgets.QGridLayout()
307        self.smearing_widget = SmearingWidget(self)
308        layout.addWidget(self.smearing_widget)
309        self.tabResolution.setLayout(layout)
310
311        # Define bold font for use in various controls
312        self.boldFont = QtGui.QFont()
313        self.boldFont.setBold(True)
314
315        # Set data label
316        self.label.setFont(self.boldFont)
317        self.label.setText("No data loaded")
318        self.lblFilename.setText("")
319
320        # Magnetic angles explained in one picture
321        self.magneticAnglesWidget = QtWidgets.QWidget()
322        labl = QtWidgets.QLabel(self.magneticAnglesWidget)
323        pixmap = QtGui.QPixmap(GuiUtils.IMAGES_DIRECTORY_LOCATION + '/M_angles_pic.bmp')
324        labl.setPixmap(pixmap)
325        self.magneticAnglesWidget.setFixedSize(pixmap.width(), pixmap.height())
326
327    def initializeModels(self):
328        """
329        Set up models and views
330        """
331        # Set the main models
332        # We can't use a single model here, due to restrictions on flattening
333        # the model tree with subclassed QAbstractProxyModel...
334        self._model_model = ToolTippedItemModel()
335        self._poly_model = ToolTippedItemModel()
336        self._magnet_model = ToolTippedItemModel()
337
338        # Param model displayed in param list
339        self.lstParams.setModel(self._model_model)
340        self.readCategoryInfo()
341
342        self.model_parameters = None
343
344        # Delegates for custom editing and display
345        self.lstParams.setItemDelegate(ModelViewDelegate(self))
346
347        self.lstParams.setAlternatingRowColors(True)
348        stylesheet = """
349
350            QTreeView {
351                paint-alternating-row-colors-for-empty-area:0;
352            }
353
354            QTreeView::item {
355                border: 1px;
356                padding: 2px 1px;
357            }
358
359            QTreeView::item:hover {
360                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #e7effd, stop: 1 #cbdaf1);
361                border: 1px solid #bfcde4;
362            }
363
364            QTreeView::item:selected {
365                border: 1px solid #567dbc;
366            }
367
368            QTreeView::item:selected:active{
369                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6ea1f1, stop: 1 #567dbc);
370            }
371
372            QTreeView::item:selected:!active {
373                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6b9be8, stop: 1 #577fbf);
374            }
375           """
376        self.lstParams.setStyleSheet(stylesheet)
377        self.lstParams.setContextMenuPolicy(QtCore.Qt.CustomContextMenu)
378        self.lstParams.customContextMenuRequested.connect(self.showModelContextMenu)
379        self.lstParams.setAttribute(QtCore.Qt.WA_MacShowFocusRect, False)
380        # Column resize signals
381        self.lstParams.header().sectionResized.connect(self.onColumnWidthUpdate)
382
383        # Poly model displayed in poly list
384        self.lstPoly.setModel(self._poly_model)
385        self.setPolyModel()
386        self.setTableProperties(self.lstPoly)
387        # Delegates for custom editing and display
388        self.lstPoly.setItemDelegate(PolyViewDelegate(self))
389        # Polydispersity function combo response
390        self.lstPoly.itemDelegate().combo_updated.connect(self.onPolyComboIndexChange)
391        self.lstPoly.itemDelegate().filename_updated.connect(self.onPolyFilenameChange)
392
393        # Magnetism model displayed in magnetism list
394        self.lstMagnetic.setModel(self._magnet_model)
395        self.setMagneticModel()
396        self.setTableProperties(self.lstMagnetic)
397        # Delegates for custom editing and display
398        self.lstMagnetic.setItemDelegate(MagnetismViewDelegate(self))
399
400    def initializeCategoryCombo(self):
401        """
402        Model category combo setup
403        """
404        category_list = sorted(self.master_category_dict.keys())
405        self.cbCategory.addItem(CATEGORY_DEFAULT)
406        self.cbCategory.addItems(category_list)
407        if CATEGORY_STRUCTURE not in category_list:
408            self.cbCategory.addItem(CATEGORY_STRUCTURE)
409        self.cbCategory.setCurrentIndex(0)
410
411    def setEnablementOnDataLoad(self):
412        """
413        Enable/disable various UI elements based on data loaded
414        """
415        # Tag along functionality
416        self.label.setText("Data loaded from: ")
417        if self.logic.data.filename:
418            self.lblFilename.setText(self.logic.data.filename)
419        else:
420            self.lblFilename.setText(self.logic.data.name)
421        self.updateQRange()
422        # Switch off Data2D control
423        self.chk2DView.setEnabled(False)
424        self.chk2DView.setVisible(False)
425        self.chkMagnetism.setEnabled(self.is2D)
426        self.tabFitting.setTabEnabled(TAB_MAGNETISM, self.chkMagnetism.isChecked())
427        # Combo box or label for file name"
428        if self.is_batch_fitting:
429            self.lblFilename.setVisible(False)
430            for dataitem in self.all_data:
431                filename = GuiUtils.dataFromItem(dataitem).filename
432                self.cbFileNames.addItem(filename)
433            self.cbFileNames.setVisible(True)
434            self.chkChainFit.setEnabled(True)
435            self.chkChainFit.setVisible(True)
436            # This panel is not designed to view individual fits, so disable plotting
437            self.cmdPlot.setVisible(False)
438        # Similarly on other tabs
439        self.options_widget.setEnablementOnDataLoad()
440        self.onSelectModel()
441        # Smearing tab
442        self.smearing_widget.updateData(self.data)
443
444    def acceptsData(self):
445        """ Tells the caller this widget can accept new dataset """
446        return not self.data_is_loaded
447
448    def disableModelCombo(self):
449        """ Disable the combobox """
450        self.cbModel.setEnabled(False)
451        self.lblModel.setEnabled(False)
452
453    def enableModelCombo(self):
454        """ Enable the combobox """
455        self.cbModel.setEnabled(True)
456        self.lblModel.setEnabled(True)
457
458    def disableStructureCombo(self):
459        """ Disable the combobox """
460        self.cbStructureFactor.setEnabled(False)
461        self.lblStructure.setEnabled(False)
462
463    def enableStructureCombo(self):
464        """ Enable the combobox """
465        self.cbStructureFactor.setEnabled(True)
466        self.lblStructure.setEnabled(True)
467
468    def togglePoly(self, isChecked):
469        """ Enable/disable the polydispersity tab """
470        self.tabFitting.setTabEnabled(TAB_POLY, isChecked)
471
472    def toggleMagnetism(self, isChecked):
473        """ Enable/disable the magnetism tab """
474        self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked)
475
476    def toggleChainFit(self, isChecked):
477        """ Enable/disable chain fitting """
478        self.is_chain_fitting = isChecked
479
480    def toggle2D(self, isChecked):
481        """ Enable/disable the controls dependent on 1D/2D data instance """
482        self.chkMagnetism.setEnabled(isChecked)
483        self.is2D = isChecked
484        # Reload the current model
485        if self.kernel_module:
486            self.onSelectModel()
487
488    @classmethod
489    def customModels(cls):
490        """ Reads in file names in the custom plugin directory """
491        return ModelUtilities._find_models()
492
493    def initializeControls(self):
494        """
495        Set initial control enablement
496        """
497        self.cbFileNames.setVisible(False)
498        self.cmdFit.setEnabled(False)
499        self.cmdPlot.setEnabled(False)
500        self.options_widget.cmdComputePoints.setVisible(False) # probably redundant
501        self.chkPolydispersity.setEnabled(True)
502        self.chkPolydispersity.setCheckState(False)
503        self.chk2DView.setEnabled(True)
504        self.chk2DView.setCheckState(False)
505        self.chkMagnetism.setEnabled(False)
506        self.chkMagnetism.setCheckState(False)
507        self.chkChainFit.setEnabled(False)
508        self.chkChainFit.setVisible(False)
509        # Tabs
510        self.tabFitting.setTabEnabled(TAB_POLY, False)
511        self.tabFitting.setTabEnabled(TAB_MAGNETISM, False)
512        self.lblChi2Value.setText("---")
513        # Smearing tab
514        self.smearing_widget.updateData(self.data)
515        # Line edits in the option tab
516        self.updateQRange()
517
518    def initializeSignals(self):
519        """
520        Connect GUI element signals
521        """
522        # Comboboxes
523        self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor)
524        self.cbCategory.currentIndexChanged.connect(self.onSelectCategory)
525        self.cbModel.currentIndexChanged.connect(self.onSelectModel)
526        self.cbFileNames.currentIndexChanged.connect(self.onSelectBatchFilename)
527        # Checkboxes
528        self.chk2DView.toggled.connect(self.toggle2D)
529        self.chkPolydispersity.toggled.connect(self.togglePoly)
530        self.chkMagnetism.toggled.connect(self.toggleMagnetism)
531        self.chkChainFit.toggled.connect(self.toggleChainFit)
532        # Buttons
533        self.cmdFit.clicked.connect(self.onFit)
534        self.cmdPlot.clicked.connect(self.onPlot)
535        self.cmdHelp.clicked.connect(self.onHelp)
536        self.cmdMagneticDisplay.clicked.connect(self.onDisplayMagneticAngles)
537
538        # Respond to change in parameters from the UI
539        self._model_model.itemChanged.connect(self.onMainParamsChange)
540        #self.constraintAddedSignal.connect(self.modifyViewOnConstraint)
541        self._poly_model.itemChanged.connect(self.onPolyModelChange)
542        self._magnet_model.itemChanged.connect(self.onMagnetModelChange)
543        self.lstParams.selectionModel().selectionChanged.connect(self.onSelectionChanged)
544
545        # Local signals
546        self.batchFittingFinishedSignal.connect(self.batchFitComplete)
547        self.fittingFinishedSignal.connect(self.fitComplete)
548        self.Calc1DFinishedSignal.connect(self.complete1D)
549        self.Calc2DFinishedSignal.connect(self.complete2D)
550
551        # Signals from separate tabs asking for replot
552        self.options_widget.plot_signal.connect(self.onOptionsUpdate)
553
554        # Signals from other widgets
555        self.communicate.customModelDirectoryChanged.connect(self.onCustomModelChange)
556        self.communicate.saveAnalysisSignal.connect(self.savePageState)
557        self.smearing_widget.smearingChangedSignal.connect(self.onSmearingOptionsUpdate)
558        self.communicate.copyFitParamsSignal.connect(self.onParameterCopy)
559        self.communicate.pasteFitParamsSignal.connect(self.onParameterPaste)
560
561        # Communicator signal
562        self.communicate.updateModelCategoriesSignal.connect(self.onCategoriesChanged)
563
564    def modelName(self):
565        """
566        Returns model name, by default M<tab#>, e.g. M1, M2
567        """
568        return "M%i" % self.tab_id
569
570    def nameForFittedData(self, name):
571        """
572        Generate name for the current fit
573        """
574        if self.is2D:
575            name += "2d"
576        name = "%s [%s]" % (self.modelName(), name)
577        return name
578
579    def showModelContextMenu(self, position):
580        """
581        Show context specific menu in the parameter table.
582        When clicked on parameter(s): fitting/constraints options
583        When clicked on white space: model description
584        """
585        rows = [s.row() for s in self.lstParams.selectionModel().selectedRows()
586                if self.isCheckable(s.row())]
587        menu = self.showModelDescription() if not rows else self.modelContextMenu(rows)
588        try:
589            menu.exec_(self.lstParams.viewport().mapToGlobal(position))
590        except AttributeError as ex:
591            logger.error("Error generating context menu: %s" % ex)
592        return
593
594    def modelContextMenu(self, rows):
595        """
596        Create context menu for the parameter selection
597        """
598        menu = QtWidgets.QMenu()
599        num_rows = len(rows)
600        if num_rows < 1:
601            return menu
602        # Select for fitting
603        param_string = "parameter " if num_rows == 1 else "parameters "
604        to_string = "to its current value" if num_rows == 1 else "to their current values"
605        has_constraints = any([self.rowHasConstraint(i) for i in rows])
606
607        self.actionSelect = QtWidgets.QAction(self)
608        self.actionSelect.setObjectName("actionSelect")
609        self.actionSelect.setText(QtCore.QCoreApplication.translate("self", "Select "+param_string+" for fitting"))
610        # Unselect from fitting
611        self.actionDeselect = QtWidgets.QAction(self)
612        self.actionDeselect.setObjectName("actionDeselect")
613        self.actionDeselect.setText(QtCore.QCoreApplication.translate("self", "De-select "+param_string+" from fitting"))
614
615        self.actionConstrain = QtWidgets.QAction(self)
616        self.actionConstrain.setObjectName("actionConstrain")
617        self.actionConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain "+param_string + to_string))
618
619        self.actionRemoveConstraint = QtWidgets.QAction(self)
620        self.actionRemoveConstraint.setObjectName("actionRemoveConstrain")
621        self.actionRemoveConstraint.setText(QtCore.QCoreApplication.translate("self", "Remove constraint"))
622
623        self.actionMultiConstrain = QtWidgets.QAction(self)
624        self.actionMultiConstrain.setObjectName("actionMultiConstrain")
625        self.actionMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain selected parameters to their current values"))
626
627        self.actionMutualMultiConstrain = QtWidgets.QAction(self)
628        self.actionMutualMultiConstrain.setObjectName("actionMutualMultiConstrain")
629        self.actionMutualMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Mutual constrain of selected parameters..."))
630
631        menu.addAction(self.actionSelect)
632        menu.addAction(self.actionDeselect)
633        menu.addSeparator()
634
635        if has_constraints:
636            menu.addAction(self.actionRemoveConstraint)
637            #if num_rows == 1:
638            #    menu.addAction(self.actionEditConstraint)
639        else:
640            menu.addAction(self.actionConstrain)
641            if num_rows == 2:
642                menu.addAction(self.actionMutualMultiConstrain)
643
644        # Define the callbacks
645        self.actionConstrain.triggered.connect(self.addSimpleConstraint)
646        self.actionRemoveConstraint.triggered.connect(self.deleteConstraint)
647        self.actionMutualMultiConstrain.triggered.connect(self.showMultiConstraint)
648        self.actionSelect.triggered.connect(self.selectParameters)
649        self.actionDeselect.triggered.connect(self.deselectParameters)
650        return menu
651
652    def showMultiConstraint(self):
653        """
654        Show the constraint widget and receive the expression
655        """
656        selected_rows = self.lstParams.selectionModel().selectedRows()
657        # There have to be only two rows selected. The caller takes care of that
658        # but let's check the correctness.
659        assert len(selected_rows) == 2
660
661        params_list = [s.data() for s in selected_rows]
662        # Create and display the widget for param1 and param2
663        mc_widget = MultiConstraint(self, params=params_list)
664        # Check if any of the parameters are polydisperse
665        if not np.any([FittingUtilities.isParamPolydisperse(p, self.model_parameters, is2D=self.is2D) for p in params_list]):
666            # no parameters are pd - reset the text to not show the warning
667            mc_widget.lblWarning.setText("")
668        if mc_widget.exec_() != QtWidgets.QDialog.Accepted:
669            return
670
671        constraint = Constraint()
672        c_text = mc_widget.txtConstraint.text()
673
674        # widget.params[0] is the parameter we're constraining
675        constraint.param = mc_widget.params[0]
676        # parameter should have the model name preamble
677        model_name = self.kernel_module.name
678        # param_used is the parameter we're using in constraining function
679        param_used = mc_widget.params[1]
680        # Replace param_used with model_name.param_used
681        updated_param_used = model_name + "." + param_used
682        new_func = c_text.replace(param_used, updated_param_used)
683        constraint.func = new_func
684        # Which row is the constrained parameter in?
685        row = self.getRowFromName(constraint.param)
686
687        # Create a new item and add the Constraint object as a child
688        self.addConstraintToRow(constraint=constraint, row=row)
689
690    def getRowFromName(self, name):
691        """
692        Given parameter name get the row number in self._model_model
693        """
694        for row in range(self._model_model.rowCount()):
695            row_name = self._model_model.item(row).text()
696            if row_name == name:
697                return row
698        return None
699
700    def getParamNames(self):
701        """
702        Return list of all parameters for the current model
703        """
704        return [self._model_model.item(row).text()
705                for row in range(self._model_model.rowCount())
706                if self.isCheckable(row)]
707
708    def modifyViewOnRow(self, row, font=None, brush=None):
709        """
710        Chage how the given row of the main model is shown
711        """
712        fields_enabled = False
713        if font is None:
714            font = QtGui.QFont()
715            fields_enabled = True
716        if brush is None:
717            brush = QtGui.QBrush()
718            fields_enabled = True
719        self._model_model.blockSignals(True)
720        # Modify font and foreground of affected rows
721        for column in range(0, self._model_model.columnCount()):
722            self._model_model.item(row, column).setForeground(brush)
723            self._model_model.item(row, column).setFont(font)
724            self._model_model.item(row, column).setEditable(fields_enabled)
725        self._model_model.blockSignals(False)
726
727    def addConstraintToRow(self, constraint=None, row=0):
728        """
729        Adds the constraint object to requested row
730        """
731        # Create a new item and add the Constraint object as a child
732        assert isinstance(constraint, Constraint)
733        assert 0 <= row <= self._model_model.rowCount()
734        assert self.isCheckable(row)
735
736        item = QtGui.QStandardItem()
737        item.setData(constraint)
738        self._model_model.item(row, 1).setChild(0, item)
739        # Set min/max to the value constrained
740        self.constraintAddedSignal.emit([row])
741        # Show visual hints for the constraint
742        font = QtGui.QFont()
743        font.setItalic(True)
744        brush = QtGui.QBrush(QtGui.QColor('blue'))
745        self.modifyViewOnRow(row, font=font, brush=brush)
746        self.communicate.statusBarUpdateSignal.emit('Constraint added')
747
748    def addSimpleConstraint(self):
749        """
750        Adds a constraint on a single parameter.
751        """
752        min_col = self.lstParams.itemDelegate().param_min
753        max_col = self.lstParams.itemDelegate().param_max
754        for row in self.selectedParameters():
755            assert(self.isCheckable(row))
756            param = self._model_model.item(row, 0).text()
757            value = self._model_model.item(row, 1).text()
758            min_t = self._model_model.item(row, min_col).text()
759            max_t = self._model_model.item(row, max_col).text()
760            # Create a Constraint object
761            constraint = Constraint(param=param, value=value, min=min_t, max=max_t)
762            # Create a new item and add the Constraint object as a child
763            item = QtGui.QStandardItem()
764            item.setData(constraint)
765            self._model_model.item(row, 1).setChild(0, item)
766            # Assumed correctness from the validator
767            value = float(value)
768            # BUMPS calculates log(max-min) without any checks, so let's assign minor range
769            min_v = value - (value/10000.0)
770            max_v = value + (value/10000.0)
771            # Set min/max to the value constrained
772            self._model_model.item(row, min_col).setText(str(min_v))
773            self._model_model.item(row, max_col).setText(str(max_v))
774            self.constraintAddedSignal.emit([row])
775            # Show visual hints for the constraint
776            font = QtGui.QFont()
777            font.setItalic(True)
778            brush = QtGui.QBrush(QtGui.QColor('blue'))
779            self.modifyViewOnRow(row, font=font, brush=brush)
780        self.communicate.statusBarUpdateSignal.emit('Constraint added')
781
782    def deleteConstraint(self):
783        """
784        Delete constraints from selected parameters.
785        """
786        params = [s.data() for s in self.lstParams.selectionModel().selectedRows()
787                   if self.isCheckable(s.row())]
788        for param in params:
789            self.deleteConstraintOnParameter(param=param)
790
791    def deleteConstraintOnParameter(self, param=None):
792        """
793        Delete the constraint on model parameter 'param'
794        """
795        min_col = self.lstParams.itemDelegate().param_min
796        max_col = self.lstParams.itemDelegate().param_max
797        for row in range(self._model_model.rowCount()):
798            if not self.isCheckable(row):
799                continue
800            if not self.rowHasConstraint(row):
801                continue
802            # Get the Constraint object from of the model item
803            item = self._model_model.item(row, 1)
804            constraint = self.getConstraintForRow(row)
805            if constraint is None:
806                continue
807            if not isinstance(constraint, Constraint):
808                continue
809            if param and constraint.param != param:
810                continue
811            # Now we got the right row. Delete the constraint and clean up
812            # Retrieve old values and put them on the model
813            if constraint.min is not None:
814                self._model_model.item(row, min_col).setText(constraint.min)
815            if constraint.max is not None:
816                self._model_model.item(row, max_col).setText(constraint.max)
817            # Remove constraint item
818            item.removeRow(0)
819            self.constraintAddedSignal.emit([row])
820            self.modifyViewOnRow(row)
821
822        self.communicate.statusBarUpdateSignal.emit('Constraint removed')
823
824    def getConstraintForRow(self, row):
825        """
826        For the given row, return its constraint, if any (otherwise None)
827        """
828        if not self.isCheckable(row):
829            return None
830        item = self._model_model.item(row, 1)
831        try:
832            return item.child(0).data()
833        except AttributeError:
834            return None
835
836    def rowHasConstraint(self, row):
837        """
838        Finds out if row of the main model has a constraint child
839        """
840        if not self.isCheckable(row):
841            return False
842        item = self._model_model.item(row, 1)
843        if not item.hasChildren():
844            return False
845        c = item.child(0).data()
846        if isinstance(c, Constraint):
847            return True
848        return False
849
850    def rowHasActiveConstraint(self, row):
851        """
852        Finds out if row of the main model has an active constraint child
853        """
854        if not self.isCheckable(row):
855            return False
856        item = self._model_model.item(row, 1)
857        if not item.hasChildren():
858            return False
859        c = item.child(0).data()
860        if isinstance(c, Constraint) and c.active:
861            return True
862        return False
863
864    def rowHasActiveComplexConstraint(self, row):
865        """
866        Finds out if row of the main model has an active, nontrivial constraint child
867        """
868        if not self.isCheckable(row):
869            return False
870        item = self._model_model.item(row, 1)
871        if not item.hasChildren():
872            return False
873        c = item.child(0).data()
874        if isinstance(c, Constraint) and c.func and c.active:
875            return True
876        return False
877
878    def selectParameters(self):
879        """
880        Selected parameter is chosen for fitting
881        """
882        status = QtCore.Qt.Checked
883        self.setParameterSelection(status)
884
885    def deselectParameters(self):
886        """
887        Selected parameters are removed for fitting
888        """
889        status = QtCore.Qt.Unchecked
890        self.setParameterSelection(status)
891
892    def selectedParameters(self):
893        """ Returns list of selected (highlighted) parameters """
894        return [s.row() for s in self.lstParams.selectionModel().selectedRows()
895                if self.isCheckable(s.row())]
896
897    def setParameterSelection(self, status=QtCore.Qt.Unchecked):
898        """
899        Selected parameters are chosen for fitting
900        """
901        # Convert to proper indices and set requested enablement
902        for row in self.selectedParameters():
903            self._model_model.item(row, 0).setCheckState(status)
904
905    def getConstraintsForModel(self):
906        """
907        Return a list of tuples. Each tuple contains constraints mapped as
908        ('constrained parameter', 'function to constrain')
909        e.g. [('sld','5*sld_solvent')]
910        """
911        param_number = self._model_model.rowCount()
912        params = [(self._model_model.item(s, 0).text(),
913                    self._model_model.item(s, 1).child(0).data().func)
914                    for s in range(param_number) if self.rowHasActiveConstraint(s)]
915        return params
916
917    def getComplexConstraintsForModel(self):
918        """
919        Return a list of tuples. Each tuple contains constraints mapped as
920        ('constrained parameter', 'function to constrain')
921        e.g. [('sld','5*M2.sld_solvent')].
922        Only for constraints with defined VALUE
923        """
924        param_number = self._model_model.rowCount()
925        params = [(self._model_model.item(s, 0).text(),
926                    self._model_model.item(s, 1).child(0).data().func)
927                    for s in range(param_number) if self.rowHasActiveComplexConstraint(s)]
928        return params
929
930    def getConstraintObjectsForModel(self):
931        """
932        Returns Constraint objects present on the whole model
933        """
934        param_number = self._model_model.rowCount()
935        constraints = [self._model_model.item(s, 1).child(0).data()
936                       for s in range(param_number) if self.rowHasConstraint(s)]
937
938        return constraints
939
940    def getConstraintsForFitting(self):
941        """
942        Return a list of constraints in format ready for use in fiting
943        """
944        # Get constraints
945        constraints = self.getComplexConstraintsForModel()
946        # See if there are any constraints across models
947        multi_constraints = [cons for cons in constraints if self.isConstraintMultimodel(cons[1])]
948
949        if multi_constraints:
950            # Let users choose what to do
951            msg = "The current fit contains constraints relying on other fit pages.\n"
952            msg += "Parameters with those constraints are:\n" +\
953                '\n'.join([cons[0] for cons in multi_constraints])
954            msg += "\n\nWould you like to remove these constraints or cancel fitting?"
955            msgbox = QtWidgets.QMessageBox(self)
956            msgbox.setIcon(QtWidgets.QMessageBox.Warning)
957            msgbox.setText(msg)
958            msgbox.setWindowTitle("Existing Constraints")
959            # custom buttons
960            button_remove = QtWidgets.QPushButton("Remove")
961            msgbox.addButton(button_remove, QtWidgets.QMessageBox.YesRole)
962            button_cancel = QtWidgets.QPushButton("Cancel")
963            msgbox.addButton(button_cancel, QtWidgets.QMessageBox.RejectRole)
964            retval = msgbox.exec_()
965            if retval == QtWidgets.QMessageBox.RejectRole:
966                # cancel fit
967                raise ValueError("Fitting cancelled")
968            else:
969                # remove constraint
970                for cons in multi_constraints:
971                    self.deleteConstraintOnParameter(param=cons[0])
972                # re-read the constraints
973                constraints = self.getComplexConstraintsForModel()
974
975        return constraints
976
977    def showModelDescription(self):
978        """
979        Creates a window with model description, when right clicked in the treeview
980        """
981        msg = 'Model description:\n'
982        if self.kernel_module is not None:
983            if str(self.kernel_module.description).rstrip().lstrip() == '':
984                msg += "Sorry, no information is available for this model."
985            else:
986                msg += self.kernel_module.description + '\n'
987        else:
988            msg += "You must select a model to get information on this"
989
990        menu = QtWidgets.QMenu()
991        label = QtWidgets.QLabel(msg)
992        action = QtWidgets.QWidgetAction(self)
993        action.setDefaultWidget(label)
994        menu.addAction(action)
995        return menu
996
997    def onSelectModel(self):
998        """
999        Respond to select Model from list event
1000        """
1001        model = self.cbModel.currentText()
1002
1003        # Assure the control is active
1004        if not self.cbModel.isEnabled():
1005            return
1006        # Empty combobox forced to be read
1007        if not model:
1008            return
1009
1010        # Reset parameters to fit
1011        self.resetParametersToFit()
1012        self.has_error_column = False
1013        self.has_poly_error_column = False
1014
1015        structure = None
1016        if self.cbStructureFactor.isEnabled():
1017            structure = str(self.cbStructureFactor.currentText())
1018        self.respondToModelStructure(model=model, structure_factor=structure)
1019
1020    def onSelectBatchFilename(self, data_index):
1021        """
1022        Update the logic based on the selected file in batch fitting
1023        """
1024        self.data_index = data_index
1025        self.updateQRange()
1026
1027    def onSelectStructureFactor(self):
1028        """
1029        Select Structure Factor from list
1030        """
1031        model = str(self.cbModel.currentText())
1032        category = str(self.cbCategory.currentText())
1033        structure = str(self.cbStructureFactor.currentText())
1034        if category == CATEGORY_STRUCTURE:
1035            model = None
1036
1037        # Reset parameters to fit
1038        self.resetParametersToFit()
1039        self.has_error_column = False
1040        self.has_poly_error_column = False
1041
1042        self.respondToModelStructure(model=model, structure_factor=structure)
1043
1044    def resetParametersToFit(self):
1045        """
1046        Clears the list of parameters to be fitted
1047        """
1048        self.main_params_to_fit = []
1049        self.poly_params_to_fit = []
1050        self.magnet_params_to_fit = []
1051
1052    def onCustomModelChange(self):
1053        """
1054        Reload the custom model combobox
1055        """
1056        self.custom_models = self.customModels()
1057        self.readCustomCategoryInfo()
1058        # See if we need to update the combo in-place
1059        if self.cbCategory.currentText() != CATEGORY_CUSTOM: return
1060
1061        current_text = self.cbModel.currentText()
1062        self.cbModel.blockSignals(True)
1063        self.cbModel.clear()
1064        self.cbModel.blockSignals(False)
1065        self.enableModelCombo()
1066        self.disableStructureCombo()
1067        # Retrieve the list of models
1068        model_list = self.master_category_dict[CATEGORY_CUSTOM]
1069        # Populate the models combobox
1070        self.cbModel.addItems(sorted([model for (model, _) in model_list]))
1071        new_index = self.cbModel.findText(current_text)
1072        if new_index != -1:
1073            self.cbModel.setCurrentIndex(self.cbModel.findText(current_text))
1074
1075    def onSelectionChanged(self):
1076        """
1077        React to parameter selection
1078        """
1079        rows = self.lstParams.selectionModel().selectedRows()
1080        # Clean previous messages
1081        self.communicate.statusBarUpdateSignal.emit("")
1082        if len(rows) == 1:
1083            # Show constraint, if present
1084            row = rows[0].row()
1085            if not self.rowHasConstraint(row):
1086                return
1087            constr = self.getConstraintForRow(row)
1088            func = self.getConstraintForRow(row).func
1089            if constr.func is not None:
1090                # inter-parameter constraint
1091                update_text = "Active constraint: "+func
1092            elif constr.param == rows[0].data():
1093                # current value constraint
1094                update_text = "Value constrained to: " + str(constr.value)
1095            else:
1096                # ill defined constraint
1097                return
1098            self.communicate.statusBarUpdateSignal.emit(update_text)
1099
1100    def replaceConstraintName(self, old_name, new_name=""):
1101        """
1102        Replace names of models in defined constraints
1103        """
1104        param_number = self._model_model.rowCount()
1105        # loop over parameters
1106        for row in range(param_number):
1107            if self.rowHasConstraint(row):
1108                func = self._model_model.item(row, 1).child(0).data().func
1109                if old_name in func:
1110                    new_func = func.replace(old_name, new_name)
1111                    self._model_model.item(row, 1).child(0).data().func = new_func
1112
1113    def isConstraintMultimodel(self, constraint):
1114        """
1115        Check if the constraint function text contains current model name
1116        """
1117        current_model_name = self.kernel_module.name
1118        if current_model_name in constraint:
1119            return False
1120        else:
1121            return True
1122
1123    def updateData(self):
1124        """
1125        Helper function for recalculation of data used in plotting
1126        """
1127        # Update the chart
1128        if self.data_is_loaded:
1129            self.cmdPlot.setText("Show Plot")
1130            self.calculateQGridForModel()
1131        else:
1132            self.cmdPlot.setText("Calculate")
1133            # Create default datasets if no data passed
1134            self.createDefaultDataset()
1135            self.theory_item = None # ensure theory is recalc. before plot, see showTheoryPlot()
1136
1137    def respondToModelStructure(self, model=None, structure_factor=None):
1138        # Set enablement on calculate/plot
1139        self.cmdPlot.setEnabled(True)
1140
1141        # kernel parameters -> model_model
1142        self.SASModelToQModel(model, structure_factor)
1143
1144        for column, width in self.lstParamHeaderSizes.items():
1145            self.lstParams.setColumnWidth(column, width)
1146
1147        # Update plot
1148        self.updateData()
1149
1150        # Update state stack
1151        self.updateUndo()
1152
1153        # Let others know
1154        self.newModelSignal.emit()
1155
1156    def onSelectCategory(self):
1157        """
1158        Select Category from list
1159        """
1160        category = self.cbCategory.currentText()
1161        # Check if the user chose "Choose category entry"
1162        if category == CATEGORY_DEFAULT:
1163            # if the previous category was not the default, keep it.
1164            # Otherwise, just return
1165            if self._previous_category_index != 0:
1166                # We need to block signals, or else state changes on perceived unchanged conditions
1167                self.cbCategory.blockSignals(True)
1168                self.cbCategory.setCurrentIndex(self._previous_category_index)
1169                self.cbCategory.blockSignals(False)
1170            return
1171
1172        if category == CATEGORY_STRUCTURE:
1173            self.disableModelCombo()
1174            self.enableStructureCombo()
1175            # set the index to 0
1176            self.cbStructureFactor.setCurrentIndex(0)
1177            self.model_parameters = None
1178            self._model_model.clear()
1179            return
1180
1181        # Safely clear and enable the model combo
1182        self.cbModel.blockSignals(True)
1183        self.cbModel.clear()
1184        self.cbModel.blockSignals(False)
1185        self.enableModelCombo()
1186        self.disableStructureCombo()
1187
1188        self._previous_category_index = self.cbCategory.currentIndex()
1189        # Retrieve the list of models
1190        model_list = self.master_category_dict[category]
1191        # Populate the models combobox
1192        self.cbModel.addItems(sorted([model for (model, _) in model_list]))
1193
1194    def onPolyModelChange(self, item):
1195        """
1196        Callback method for updating the main model and sasmodel
1197        parameters with the GUI values in the polydispersity view
1198        """
1199        model_column = item.column()
1200        model_row = item.row()
1201        name_index = self._poly_model.index(model_row, 0)
1202        parameter_name = str(name_index.data()) # "distribution of sld" etc.
1203        if "istribution of" in parameter_name:
1204            # just the last word
1205            parameter_name = parameter_name.rsplit()[-1]
1206
1207        delegate = self.lstPoly.itemDelegate()
1208
1209        # Extract changed value.
1210        if model_column == delegate.poly_parameter:
1211            # Is the parameter checked for fitting?
1212            value = item.checkState()
1213            parameter_name = parameter_name + '.width'
1214            if value == QtCore.Qt.Checked:
1215                self.poly_params_to_fit.append(parameter_name)
1216            else:
1217                if parameter_name in self.poly_params_to_fit:
1218                    self.poly_params_to_fit.remove(parameter_name)
1219            self.cmdFit.setEnabled(self.haveParamsToFit())
1220
1221        elif model_column in [delegate.poly_min, delegate.poly_max]:
1222            try:
1223                value = GuiUtils.toDouble(item.text())
1224            except TypeError:
1225                # Can't be converted properly, bring back the old value and exit
1226                return
1227
1228            current_details = self.kernel_module.details[parameter_name]
1229            if self.has_poly_error_column:
1230                # err column changes the indexing
1231                current_details[model_column-2] = value
1232            else:
1233                current_details[model_column-1] = value
1234
1235        elif model_column == delegate.poly_function:
1236            # name of the function - just pass
1237            pass
1238
1239        else:
1240            try:
1241                value = GuiUtils.toDouble(item.text())
1242            except TypeError:
1243                # Can't be converted properly, bring back the old value and exit
1244                return
1245
1246            # Update the sasmodel
1247            # PD[ratio] -> width, npts -> npts, nsigs -> nsigmas
1248            #self.kernel_module.setParam(parameter_name + '.' + delegate.columnDict()[model_column], value)
1249            key = parameter_name + '.' + delegate.columnDict()[model_column]
1250            self.poly_params[key] = value
1251
1252            # Update plot
1253            self.updateData()
1254
1255        # update in param model
1256        if model_column in [delegate.poly_pd, delegate.poly_error, delegate.poly_min, delegate.poly_max]:
1257            row = self.getRowFromName(parameter_name)
1258            param_item = self._model_model.item(row).child(0).child(0, model_column)
1259            if param_item is None:
1260                return
1261            self._model_model.blockSignals(True)
1262            param_item.setText(item.text())
1263            self._model_model.blockSignals(False)
1264
1265    def onMagnetModelChange(self, item):
1266        """
1267        Callback method for updating the sasmodel magnetic parameters with the GUI values
1268        """
1269        model_column = item.column()
1270        model_row = item.row()
1271        name_index = self._magnet_model.index(model_row, 0)
1272        parameter_name = str(self._magnet_model.data(name_index))
1273
1274        if model_column == 0:
1275            value = item.checkState()
1276            if value == QtCore.Qt.Checked:
1277                self.magnet_params_to_fit.append(parameter_name)
1278            else:
1279                if parameter_name in self.magnet_params_to_fit:
1280                    self.magnet_params_to_fit.remove(parameter_name)
1281            self.cmdFit.setEnabled(self.haveParamsToFit())
1282            # Update state stack
1283            self.updateUndo()
1284            return
1285
1286        # Extract changed value.
1287        try:
1288            value = GuiUtils.toDouble(item.text())
1289        except TypeError:
1290            # Unparsable field
1291            return
1292        delegate = self.lstMagnetic.itemDelegate()
1293
1294        if model_column > 1:
1295            if model_column == delegate.mag_min:
1296                pos = 1
1297            elif model_column == delegate.mag_max:
1298                pos = 2
1299            elif model_column == delegate.mag_unit:
1300                pos = 0
1301            else:
1302                raise AttributeError("Wrong column in magnetism table.")
1303            # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf]
1304            self.kernel_module.details[parameter_name][pos] = value
1305        else:
1306            self.magnet_params[parameter_name] = value
1307            #self.kernel_module.setParam(parameter_name) = value
1308            # Force the chart update when actual parameters changed
1309            self.recalculatePlotData()
1310
1311        # Update state stack
1312        self.updateUndo()
1313
1314    def onHelp(self):
1315        """
1316        Show the "Fitting" section of help
1317        """
1318        tree_location = "/user/qtgui/Perspectives/Fitting/"
1319
1320        # Actual file will depend on the current tab
1321        tab_id = self.tabFitting.currentIndex()
1322        helpfile = "fitting.html"
1323        if tab_id == 0:
1324            helpfile = "fitting_help.html"
1325        elif tab_id == 1:
1326            helpfile = "residuals_help.html"
1327        elif tab_id == 2:
1328            helpfile = "resolution.html"
1329        elif tab_id == 3:
1330            helpfile = "pd/polydispersity.html"
1331        elif tab_id == 4:
1332            helpfile = "magnetism/magnetism.html"
1333        help_location = tree_location + helpfile
1334
1335        self.showHelp(help_location)
1336
1337    def showHelp(self, url):
1338        """
1339        Calls parent's method for opening an HTML page
1340        """
1341        self.parent.showHelp(url)
1342
1343    def onDisplayMagneticAngles(self):
1344        """
1345        Display a simple image showing direction of magnetic angles
1346        """
1347        self.magneticAnglesWidget.show()
1348
1349    def onFit(self):
1350        """
1351        Perform fitting on the current data
1352        """
1353        if self.fit_started:
1354            self.stopFit()
1355            return
1356
1357        # initialize fitter constants
1358        fit_id = 0
1359        handler = None
1360        batch_inputs = {}
1361        batch_outputs = {}
1362        #---------------------------------
1363        if LocalConfig.USING_TWISTED:
1364            handler = None
1365            updater = None
1366        else:
1367            handler = ConsoleUpdate(parent=self.parent,
1368                                    manager=self,
1369                                    improvement_delta=0.1)
1370            updater = handler.update_fit
1371
1372        # Prepare the fitter object
1373        try:
1374            fitters, _ = self.prepareFitters()
1375        except ValueError as ex:
1376            # This should not happen! GUI explicitly forbids this situation
1377            self.communicate.statusBarUpdateSignal.emit(str(ex))
1378            return
1379
1380        # keep local copy of kernel parameters, as they will change during the update
1381        self.kernel_module_copy = copy.deepcopy(self.kernel_module)
1382
1383        # Create the fitting thread, based on the fitter
1384        completefn = self.batchFittingCompleted if self.is_batch_fitting else self.fittingCompleted
1385
1386        self.calc_fit = FitThread(handler=handler,
1387                            fn=fitters,
1388                            batch_inputs=batch_inputs,
1389                            batch_outputs=batch_outputs,
1390                            page_id=[[self.page_id]],
1391                            updatefn=updater,
1392                            completefn=completefn,
1393                            reset_flag=self.is_chain_fitting)
1394
1395        if LocalConfig.USING_TWISTED:
1396            # start the trhrhread with twisted
1397            calc_thread = threads.deferToThread(self.calc_fit.compute)
1398            calc_thread.addCallback(completefn)
1399            calc_thread.addErrback(self.fitFailed)
1400        else:
1401            # Use the old python threads + Queue
1402            self.calc_fit.queue()
1403            self.calc_fit.ready(2.5)
1404
1405        self.communicate.statusBarUpdateSignal.emit('Fitting started...')
1406        self.fit_started = True
1407
1408        # Disable some elements
1409        self.disableInteractiveElements()
1410
1411    def stopFit(self):
1412        """
1413        Attempt to stop the fitting thread
1414        """
1415        if self.calc_fit is None or not self.calc_fit.isrunning():
1416            return
1417        self.calc_fit.stop()
1418        #re-enable the Fit button
1419        self.enableInteractiveElements()
1420
1421        msg = "Fitting cancelled."
1422        self.communicate.statusBarUpdateSignal.emit(msg)
1423
1424    def updateFit(self):
1425        """
1426        """
1427        print("UPDATE FIT")
1428        pass
1429
1430    def fitFailed(self, reason):
1431        """
1432        """
1433        self.enableInteractiveElements()
1434        msg = "Fitting failed with: "+ str(reason)
1435        self.communicate.statusBarUpdateSignal.emit(msg)
1436
1437    def batchFittingCompleted(self, result):
1438        """
1439        Send the finish message from calculate threads to main thread
1440        """
1441        if result is None:
1442            result = tuple()
1443        self.batchFittingFinishedSignal.emit(result)
1444
1445    def batchFitComplete(self, result):
1446        """
1447        Receive and display batch fitting results
1448        """
1449        #re-enable the Fit button
1450        self.enableInteractiveElements()
1451
1452        if len(result) == 0:
1453            msg = "Fitting failed."
1454            self.communicate.statusBarUpdateSignal.emit(msg)
1455            return
1456
1457        # Show the grid panel
1458        self.communicate.sendDataToGridSignal.emit(result[0])
1459
1460        elapsed = result[1]
1461        msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed)
1462        self.communicate.statusBarUpdateSignal.emit(msg)
1463
1464        # Run over the list of results and update the items
1465        for res_index, res_list in enumerate(result[0]):
1466            # results
1467            res = res_list[0]
1468            param_dict = self.paramDictFromResults(res)
1469
1470            # create local kernel_module
1471            kernel_module = FittingUtilities.updateKernelWithResults(self.kernel_module, param_dict)
1472            # pull out current data
1473            data = self._logic[res_index].data
1474
1475            # Switch indexes
1476            self.onSelectBatchFilename(res_index)
1477
1478            method = self.complete1D if isinstance(self.data, Data1D) else self.complete2D
1479            self.calculateQGridForModelExt(data=data, model=kernel_module, completefn=method, use_threads=False)
1480
1481        # Restore original kernel_module, so subsequent fits on the same model don't pick up the new params
1482        if self.kernel_module is not None:
1483            self.kernel_module = copy.deepcopy(self.kernel_module_copy)
1484
1485    def paramDictFromResults(self, results):
1486        """
1487        Given the fit results structure, pull out optimized parameters and return them as nicely
1488        formatted dict
1489        """
1490        if results.fitness is None or \
1491            not np.isfinite(results.fitness) or \
1492            np.any(results.pvec is None) or \
1493            not np.all(np.isfinite(results.pvec)):
1494            msg = "Fitting did not converge!"
1495            self.communicate.statusBarUpdateSignal.emit(msg)
1496            msg += results.mesg
1497            logger.error(msg)
1498            return
1499
1500        param_list = results.param_list # ['radius', 'radius.width']
1501        param_values = results.pvec     # array([ 0.36221662,  0.0146783 ])
1502        param_stderr = results.stderr   # array([ 1.71293015,  1.71294233])
1503        params_and_errors = list(zip(param_values, param_stderr))
1504        param_dict = dict(zip(param_list, params_and_errors))
1505
1506        return param_dict
1507
1508    def fittingCompleted(self, result):
1509        """
1510        Send the finish message from calculate threads to main thread
1511        """
1512        if result is None:
1513            result = tuple()
1514        self.fittingFinishedSignal.emit(result)
1515
1516    def fitComplete(self, result):
1517        """
1518        Receive and display fitting results
1519        "result" is a tuple of actual result list and the fit time in seconds
1520        """
1521        #re-enable the Fit button
1522        self.enableInteractiveElements()
1523
1524        if len(result) == 0:
1525            msg = "Fitting failed."
1526            self.communicate.statusBarUpdateSignal.emit(msg)
1527            return
1528
1529        res_list = result[0][0]
1530        res = res_list[0]
1531        self.chi2 = res.fitness
1532        param_dict = self.paramDictFromResults(res)
1533
1534        if param_dict is None:
1535            return
1536
1537        elapsed = result[1]
1538        if self.calc_fit._interrupting:
1539            msg = "Fitting cancelled by user after: %s s." % GuiUtils.formatNumber(elapsed)
1540            logger.warning("\n"+msg+"\n")
1541        else:
1542            msg = "Fitting completed successfully in: %s s." % GuiUtils.formatNumber(elapsed)
1543        self.communicate.statusBarUpdateSignal.emit(msg)
1544
1545        # Dictionary of fitted parameter: value, error
1546        # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)}
1547        self.updateModelFromList(param_dict)
1548
1549        self.updatePolyModelFromList(param_dict)
1550
1551        self.updateMagnetModelFromList(param_dict)
1552
1553        # update charts
1554        self.onPlot()
1555        #self.recalculatePlotData()
1556
1557
1558        # Read only value - we can get away by just printing it here
1559        chi2_repr = GuiUtils.formatNumber(self.chi2, high=True)
1560        self.lblChi2Value.setText(chi2_repr)
1561
1562    def prepareFitters(self, fitter=None, fit_id=0):
1563        """
1564        Prepare the Fitter object for use in fitting
1565        """
1566        # fitter = None -> single/batch fitting
1567        # fitter = Fit() -> simultaneous fitting
1568
1569        # Data going in
1570        data = self.logic.data
1571        model = copy.deepcopy(self.kernel_module)
1572        qmin = self.q_range_min
1573        qmax = self.q_range_max
1574        # add polydisperse/magnet parameters if asked
1575        self.updateKernelModelWithExtraParams(model)
1576
1577        params_to_fit = self.main_params_to_fit
1578        if self.chkPolydispersity.isChecked():
1579            params_to_fit += self.poly_params_to_fit
1580        if self.chkMagnetism.isChecked():
1581            params_to_fit += self.magnet_params_to_fit
1582        if not params_to_fit:
1583            raise ValueError('Fitting requires at least one parameter to optimize.')
1584
1585        # Get the constraints.
1586        constraints = self.getComplexConstraintsForModel()
1587        if fitter is None:
1588            # For single fits - check for inter-model constraints
1589            constraints = self.getConstraintsForFitting()
1590
1591        smearer = self.smearing_widget.smearer()
1592        handler = None
1593        batch_inputs = {}
1594        batch_outputs = {}
1595
1596        fitters = []
1597        for fit_index in self.all_data:
1598            fitter_single = Fit() if fitter is None else fitter
1599            data = GuiUtils.dataFromItem(fit_index)
1600            # Potential weights added directly to data
1601            weighted_data = self.addWeightingToData(data)
1602            try:
1603                fitter_single.set_model(model, fit_id, params_to_fit, data=weighted_data,
1604                             constraints=constraints)
1605            except ValueError as ex:
1606                raise ValueError("Setting model parameters failed with: %s" % ex)
1607
1608            qmin, qmax, _ = self.logic.computeRangeFromData(weighted_data)
1609            fitter_single.set_data(data=weighted_data, id=fit_id, smearer=smearer, qmin=qmin,
1610                            qmax=qmax)
1611            fitter_single.select_problem_for_fit(id=fit_id, value=1)
1612            if fitter is None:
1613                # Assign id to the new fitter only
1614                fitter_single.fitter_id = [self.page_id]
1615            fit_id += 1
1616            fitters.append(fitter_single)
1617
1618        return fitters, fit_id
1619
1620    def iterateOverModel(self, func):
1621        """
1622        Take func and throw it inside the model row loop
1623        """
1624        for row_i in range(self._model_model.rowCount()):
1625            func(row_i)
1626
1627    def updateModelFromList(self, param_dict):
1628        """
1629        Update the model with new parameters, create the errors column
1630        """
1631        assert isinstance(param_dict, dict)
1632        if not dict:
1633            return
1634
1635        def updateFittedValues(row):
1636            # Utility function for main model update
1637            # internal so can use closure for param_dict
1638            param_name = str(self._model_model.item(row, 0).text())
1639            if not self.isCheckable(row) or param_name not in list(param_dict.keys()):
1640                return
1641            # modify the param value
1642            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1643            self._model_model.item(row, 1).setText(param_repr)
1644            self.kernel_module.setParam(param_name, param_dict[param_name][0])
1645            if self.has_error_column:
1646                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1647                self._model_model.item(row, 2).setText(error_repr)
1648
1649        def updatePolyValues(row):
1650            # Utility function for updateof polydispersity part of the main model
1651            param_name = str(self._model_model.item(row, 0).text())+'.width'
1652            if not self.isCheckable(row) or param_name not in list(param_dict.keys()):
1653                return
1654            # modify the param value
1655            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1656            self._model_model.item(row, 0).child(0).child(0,1).setText(param_repr)
1657            # modify the param error
1658            if self.has_error_column:
1659                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1660                self._model_model.item(row, 0).child(0).child(0,2).setText(error_repr)
1661
1662        def createErrorColumn(row):
1663            # Utility function for error column update
1664            item = QtGui.QStandardItem()
1665            def createItem(param_name):
1666                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1667                item.setText(error_repr)
1668            def curr_param():
1669                return str(self._model_model.item(row, 0).text())
1670
1671            [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name]
1672
1673            error_column.append(item)
1674
1675        def createPolyErrorColumn(row):
1676            # Utility function for error column update in the polydispersity sub-rows
1677            # NOTE: only creates empty items; updatePolyValues adds the error value
1678            item = self._model_model.item(row, 0)
1679            if not item.hasChildren():
1680                return
1681            poly_item = item.child(0)
1682            if not poly_item.hasChildren():
1683                return
1684            poly_item.insertColumn(2, [QtGui.QStandardItem("")])
1685
1686        if not self.has_error_column:
1687            # create top-level error column
1688            error_column = []
1689            self.lstParams.itemDelegate().addErrorColumn()
1690            self.iterateOverModel(createErrorColumn)
1691
1692            self._model_model.insertColumn(2, error_column)
1693
1694            FittingUtilities.addErrorHeadersToModel(self._model_model)
1695
1696            # create error column in polydispersity sub-rows
1697            self.iterateOverModel(createPolyErrorColumn)
1698
1699            self.has_error_column = True
1700
1701        # block signals temporarily, so we don't end up
1702        # updating charts with every single model change on the end of fitting
1703        self._model_model.itemChanged.disconnect()
1704        self.iterateOverModel(updateFittedValues)
1705        self.iterateOverModel(updatePolyValues)
1706        self._model_model.itemChanged.connect(self.onMainParamsChange)
1707
1708    def iterateOverPolyModel(self, func):
1709        """
1710        Take func and throw it inside the poly model row loop
1711        """
1712        for row_i in range(self._poly_model.rowCount()):
1713            func(row_i)
1714
1715    def updatePolyModelFromList(self, param_dict):
1716        """
1717        Update the polydispersity model with new parameters, create the errors column
1718        """
1719        assert isinstance(param_dict, dict)
1720        if not dict:
1721            return
1722
1723        def updateFittedValues(row_i):
1724            # Utility function for main model update
1725            # internal so can use closure for param_dict
1726            if row_i >= self._poly_model.rowCount():
1727                return
1728            param_name = str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width'
1729            if param_name not in list(param_dict.keys()):
1730                return
1731            # modify the param value
1732            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1733            self._poly_model.item(row_i, 1).setText(param_repr)
1734            self.kernel_module.setParam(param_name, param_dict[param_name][0])
1735            if self.has_poly_error_column:
1736                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1737                self._poly_model.item(row_i, 2).setText(error_repr)
1738
1739        def createErrorColumn(row_i):
1740            # Utility function for error column update
1741            if row_i >= self._poly_model.rowCount():
1742                return
1743            item = QtGui.QStandardItem()
1744
1745            def createItem(param_name):
1746                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1747                item.setText(error_repr)
1748
1749            def poly_param():
1750                return str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width'
1751
1752            [createItem(param_name) for param_name in list(param_dict.keys()) if poly_param() == param_name]
1753
1754            error_column.append(item)
1755
1756        # block signals temporarily, so we don't end up
1757        # updating charts with every single model change on the end of fitting
1758        self._poly_model.itemChanged.disconnect()
1759        self.iterateOverPolyModel(updateFittedValues)
1760        self._poly_model.itemChanged.connect(self.onPolyModelChange)
1761
1762        if self.has_poly_error_column:
1763            return
1764
1765        self.lstPoly.itemDelegate().addErrorColumn()
1766        error_column = []
1767        self.iterateOverPolyModel(createErrorColumn)
1768
1769        # switch off reponse to model change
1770        self._poly_model.insertColumn(2, error_column)
1771        FittingUtilities.addErrorPolyHeadersToModel(self._poly_model)
1772
1773        self.has_poly_error_column = True
1774
1775    def iterateOverMagnetModel(self, func):
1776        """
1777        Take func and throw it inside the magnet model row loop
1778        """
1779        for row_i in range(self._magnet_model.rowCount()):
1780            func(row_i)
1781
1782    def updateMagnetModelFromList(self, param_dict):
1783        """
1784        Update the magnetic model with new parameters, create the errors column
1785        """
1786        assert isinstance(param_dict, dict)
1787        if not dict:
1788            return
1789        if self._magnet_model.rowCount() == 0:
1790            return
1791
1792        def updateFittedValues(row):
1793            # Utility function for main model update
1794            # internal so can use closure for param_dict
1795            if self._magnet_model.item(row, 0) is None:
1796                return
1797            param_name = str(self._magnet_model.item(row, 0).text())
1798            if param_name not in list(param_dict.keys()):
1799                return
1800            # modify the param value
1801            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1802            self._magnet_model.item(row, 1).setText(param_repr)
1803            self.kernel_module.setParam(param_name, param_dict[param_name][0])
1804            if self.has_magnet_error_column:
1805                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1806                self._magnet_model.item(row, 2).setText(error_repr)
1807
1808        def createErrorColumn(row):
1809            # Utility function for error column update
1810            item = QtGui.QStandardItem()
1811            def createItem(param_name):
1812                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1813                item.setText(error_repr)
1814            def curr_param():
1815                return str(self._magnet_model.item(row, 0).text())
1816
1817            [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name]
1818
1819            error_column.append(item)
1820
1821        # block signals temporarily, so we don't end up
1822        # updating charts with every single model change on the end of fitting
1823        self._magnet_model.itemChanged.disconnect()
1824        self.iterateOverMagnetModel(updateFittedValues)
1825        self._magnet_model.itemChanged.connect(self.onMagnetModelChange)
1826
1827        if self.has_magnet_error_column:
1828            return
1829
1830        self.lstMagnetic.itemDelegate().addErrorColumn()
1831        error_column = []
1832        self.iterateOverMagnetModel(createErrorColumn)
1833
1834        # switch off reponse to model change
1835        self._magnet_model.insertColumn(2, error_column)
1836        FittingUtilities.addErrorHeadersToModel(self._magnet_model)
1837
1838        self.has_magnet_error_column = True
1839
1840    def onPlot(self):
1841        """
1842        Plot the current set of data
1843        """
1844        # Regardless of previous state, this should now be `plot show` functionality only
1845        self.cmdPlot.setText("Show Plot")
1846        # Force data recalculation so existing charts are updated
1847        if not self.data_is_loaded:
1848            self.showTheoryPlot()
1849        else:
1850            self.showPlot()
1851        # This is an important processEvent.
1852        # This allows charts to be properly updated in order
1853        # of plots being applied.
1854        QtWidgets.QApplication.processEvents()
1855        self.recalculatePlotData() # recalc+plot theory again (2nd)
1856
1857    def onSmearingOptionsUpdate(self):
1858        """
1859        React to changes in the smearing widget
1860        """
1861        self.calculateQGridForModel()
1862
1863    def recalculatePlotData(self):
1864        """
1865        Generate a new dataset for model
1866        """
1867        if not self.data_is_loaded:
1868            self.createDefaultDataset()
1869        self.calculateQGridForModel()
1870
1871    def showTheoryPlot(self):
1872        """
1873        Show the current theory plot in MPL
1874        """
1875        # Show the chart if ready
1876        if self.theory_item is None:
1877            self.recalculatePlotData()
1878        elif self.model_data:
1879            self._requestPlots(self.model_data.filename, self.theory_item.model())
1880
1881    def showPlot(self):
1882        """
1883        Show the current plot in MPL
1884        """
1885        # Show the chart if ready
1886        data_to_show = self.data
1887        # Any models for this page
1888        current_index = self.all_data[self.data_index]
1889        item = self._requestPlots(self.data.filename, current_index.model())
1890        if item:
1891            # fit+data has not been shown - show just data
1892            self.communicate.plotRequestedSignal.emit([item, data_to_show], self.tab_id)
1893
1894    def _requestPlots(self, item_name, item_model):
1895        """
1896        Emits plotRequestedSignal for all plots found in the given model under the provided item name.
1897        """
1898        fitpage_name = "" if self.tab_id is None else "M"+str(self.tab_id)
1899        plots = GuiUtils.plotsFromFilename(item_name, item_model)
1900        # Has the fitted data been shown?
1901        data_shown = False
1902        item = None
1903        for item, plot in plots.items():
1904            if fitpage_name in plot.name:
1905                data_shown = True
1906                self.communicate.plotRequestedSignal.emit([item, plot], self.tab_id)
1907        # return the last data item seen, if nothing was plotted; supposed to be just data)
1908        return None if data_shown else item
1909
1910    def onOptionsUpdate(self):
1911        """
1912        Update local option values and replot
1913        """
1914        self.q_range_min, self.q_range_max, self.npts, self.log_points, self.weighting = \
1915            self.options_widget.state()
1916        # set Q range labels on the main tab
1917        self.lblMinRangeDef.setText(str(self.q_range_min))
1918        self.lblMaxRangeDef.setText(str(self.q_range_max))
1919        self.recalculatePlotData()
1920
1921    def setDefaultStructureCombo(self):
1922        """
1923        Fill in the structure factors combo box with defaults
1924        """
1925        structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE)
1926        factors = [factor[0] for factor in structure_factor_list]
1927        factors.insert(0, STRUCTURE_DEFAULT)
1928        self.cbStructureFactor.clear()
1929        self.cbStructureFactor.addItems(sorted(factors))
1930
1931    def createDefaultDataset(self):
1932        """
1933        Generate default Dataset 1D/2D for the given model
1934        """
1935        # Create default datasets if no data passed
1936        if self.is2D:
1937            qmax = self.q_range_max/np.sqrt(2)
1938            qstep = self.npts
1939            self.logic.createDefault2dData(qmax, qstep, self.tab_id)
1940            return
1941        elif self.log_points:
1942            qmin = -10.0 if self.q_range_min < 1.e-10 else np.log10(self.q_range_min)
1943            qmax = 10.0 if self.q_range_max > 1.e10 else np.log10(self.q_range_max)
1944            interval = np.logspace(start=qmin, stop=qmax, num=self.npts, endpoint=True, base=10.0)
1945        else:
1946            interval = np.linspace(start=self.q_range_min, stop=self.q_range_max,
1947                                   num=self.npts, endpoint=True)
1948        self.logic.createDefault1dData(interval, self.tab_id)
1949
1950    def readCategoryInfo(self):
1951        """
1952        Reads the categories in from file
1953        """
1954        self.master_category_dict = defaultdict(list)
1955        self.by_model_dict = defaultdict(list)
1956        self.model_enabled_dict = defaultdict(bool)
1957
1958        categorization_file = CategoryInstaller.get_user_file()
1959        if not os.path.isfile(categorization_file):
1960            categorization_file = CategoryInstaller.get_default_file()
1961        with open(categorization_file, 'rb') as cat_file:
1962            self.master_category_dict = json.load(cat_file)
1963            self.regenerateModelDict()
1964
1965        # Load the model dict
1966        models = load_standard_models()
1967        for model in models:
1968            self.models[model.name] = model
1969
1970        self.readCustomCategoryInfo()
1971
1972    def readCustomCategoryInfo(self):
1973        """
1974        Reads the custom model category
1975        """
1976        #Looking for plugins
1977        self.plugins = list(self.custom_models.values())
1978        plugin_list = []
1979        for name, plug in self.custom_models.items():
1980            self.models[name] = plug
1981            plugin_list.append([name, True])
1982        self.master_category_dict[CATEGORY_CUSTOM] = plugin_list
1983
1984    def regenerateModelDict(self):
1985        """
1986        Regenerates self.by_model_dict which has each model name as the
1987        key and the list of categories belonging to that model
1988        along with the enabled mapping
1989        """
1990        self.by_model_dict = defaultdict(list)
1991        for category in self.master_category_dict:
1992            for (model, enabled) in self.master_category_dict[category]:
1993                self.by_model_dict[model].append(category)
1994                self.model_enabled_dict[model] = enabled
1995
1996    def addBackgroundToModel(self, model):
1997        """
1998        Adds background parameter with default values to the model
1999        """
2000        assert isinstance(model, QtGui.QStandardItemModel)
2001        checked_list = ['background', '0.001', '-inf', 'inf', '1/cm']
2002        FittingUtilities.addCheckedListToModel(model, checked_list)
2003        last_row = model.rowCount()-1
2004        model.item(last_row, 0).setEditable(False)
2005        model.item(last_row, 4).setEditable(False)
2006
2007    def addScaleToModel(self, model):
2008        """
2009        Adds scale parameter with default values to the model
2010        """
2011        assert isinstance(model, QtGui.QStandardItemModel)
2012        checked_list = ['scale', '1.0', '0.0', 'inf', '']
2013        FittingUtilities.addCheckedListToModel(model, checked_list)
2014        last_row = model.rowCount()-1
2015        model.item(last_row, 0).setEditable(False)
2016        model.item(last_row, 4).setEditable(False)
2017
2018    def addWeightingToData(self, data):
2019        """
2020        Adds weighting contribution to fitting data
2021        """
2022        new_data = copy.deepcopy(data)
2023        # Send original data for weighting
2024        weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting)
2025        if self.is2D:
2026            new_data.err_data = weight
2027        else:
2028            new_data.dy = weight
2029
2030        return new_data
2031
2032    def updateQRange(self):
2033        """
2034        Updates Q Range display
2035        """
2036        if self.data_is_loaded:
2037            self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange()
2038        # set Q range labels on the main tab
2039        self.lblMinRangeDef.setText(str(self.q_range_min))
2040        self.lblMaxRangeDef.setText(str(self.q_range_max))
2041        # set Q range labels on the options tab
2042        self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts)
2043
2044    def SASModelToQModel(self, model_name, structure_factor=None):
2045        """
2046        Setting model parameters into table based on selected category
2047        """
2048        # Crete/overwrite model items
2049        self._model_model.clear()
2050        self._poly_model.clear()
2051        self._magnet_model.clear()
2052
2053        if model_name is None:
2054            if structure_factor not in (None, "None"):
2055                # S(Q) on its own, treat the same as a form factor
2056                self.kernel_module = None
2057                self.fromStructureFactorToQModel(structure_factor)
2058            else:
2059                # No models selected
2060                return
2061        else:
2062            self.fromModelToQModel(model_name)
2063            self.addExtraShells()
2064
2065            # Allow the SF combobox visibility for the given sasmodel
2066            self.enableStructureFactorControl(structure_factor)
2067       
2068            # Add S(Q)
2069            if self.cbStructureFactor.isEnabled():
2070                structure_factor = self.cbStructureFactor.currentText()
2071                self.fromStructureFactorToQModel(structure_factor)
2072
2073            # Add polydispersity to the model
2074            self.poly_params = {}
2075            self.setPolyModel()
2076            # Add magnetic parameters to the model
2077            self.magnet_params = {}
2078            self.setMagneticModel()
2079
2080        # Now we claim the model has been loaded
2081        self.model_is_loaded = True
2082        # Change the model name to a monicker
2083        self.kernel_module.name = self.modelName()
2084        # Update the smearing tab
2085        self.smearing_widget.updateKernelModel(kernel_model=self.kernel_module)
2086
2087        # (Re)-create headers
2088        FittingUtilities.addHeadersToModel(self._model_model)
2089        self.lstParams.header().setFont(self.boldFont)
2090
2091        # Update Q Ranges
2092        self.updateQRange()
2093
2094    def fromModelToQModel(self, model_name):
2095        """
2096        Setting model parameters into QStandardItemModel based on selected _model_
2097        """
2098        name = model_name
2099        kernel_module = None
2100        if self.cbCategory.currentText() == CATEGORY_CUSTOM:
2101            # custom kernel load requires full path
2102            name = os.path.join(ModelUtilities.find_plugins_dir(), model_name+".py")
2103        try:
2104            kernel_module = generate.load_kernel_module(name)
2105        except ModuleNotFoundError as ex:
2106            pass
2107
2108        if kernel_module is None:
2109            # mismatch between "name" attribute and actual filename.
2110            curr_model = self.models[model_name]
2111            name, _ = os.path.splitext(os.path.basename(curr_model.filename))
2112            try:
2113                kernel_module = generate.load_kernel_module(name)
2114            except ModuleNotFoundError as ex:
2115                logger.error("Can't find the model "+ str(ex))
2116                return
2117
2118        if hasattr(kernel_module, 'parameters'):
2119            # built-in and custom models
2120            self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', []))
2121
2122        elif hasattr(kernel_module, 'model_info'):
2123            # for sum/multiply models
2124            self.model_parameters = kernel_module.model_info.parameters
2125
2126        elif hasattr(kernel_module, 'Model') and hasattr(kernel_module.Model, "_model_info"):
2127            # this probably won't work if there's no model_info, but just in case
2128            self.model_parameters = kernel_module.Model._model_info.parameters
2129        else:
2130            # no parameters - default to blank table
2131            msg = "No parameters found in model '{}'.".format(model_name)
2132            logger.warning(msg)
2133            self.model_parameters = modelinfo.ParameterTable([])
2134
2135        # Instantiate the current sasmodel
2136        self.kernel_module = self.models[model_name]()
2137
2138        # Change the model name to a monicker
2139        self.kernel_module.name = self.modelName()
2140
2141        # Explicitly add scale and background with default values
2142        temp_undo_state = self.undo_supported
2143        self.undo_supported = False
2144        self.addScaleToModel(self._model_model)
2145        self.addBackgroundToModel(self._model_model)
2146        self.undo_supported = temp_undo_state
2147
2148        self.shell_names = self.shellNamesList()
2149
2150        # Add heading row
2151        FittingUtilities.addHeadingRowToModel(self._model_model, model_name)
2152
2153        # Update the QModel
2154        FittingUtilities.addParametersToModel(
2155                self.model_parameters,
2156                self.kernel_module,
2157                self.is2D,
2158                self._model_model,
2159                self.lstParams)
2160
2161    def fromStructureFactorToQModel(self, structure_factor):
2162        """
2163        Setting model parameters into QStandardItemModel based on selected _structure factor_
2164        """
2165        if structure_factor is None or structure_factor=="None":
2166            return
2167
2168        product_params = None
2169
2170        if self.kernel_module is None:
2171            # Structure factor is the only selected model; build it and show all its params
2172            self.kernel_module = self.models[structure_factor]()
2173            self.kernel_module.name = self.modelName()
2174            s_params = self.kernel_module._model_info.parameters
2175            s_params_orig = s_params
2176        else:
2177            s_kernel = self.models[structure_factor]()
2178            p_kernel = self.kernel_module
2179
2180            p_pars_len = len(p_kernel._model_info.parameters.kernel_parameters)
2181            s_pars_len = len(s_kernel._model_info.parameters.kernel_parameters)
2182
2183            self.kernel_module = MultiplicationModel(p_kernel, s_kernel)
2184            # Modify the name to correspond to shown items
2185            self.kernel_module.name = self.modelName()
2186            all_params = self.kernel_module._model_info.parameters.kernel_parameters
2187            all_param_names = [param.name for param in all_params]
2188
2189            # S(Q) params from the product model are not necessarily the same as those from the S(Q) model; any
2190            # conflicting names with P(Q) params will cause a rename
2191
2192            if "radius_effective_mode" in all_param_names:
2193                # Show all parameters
2194                # In this case, radius_effective is NOT pruned by sasmodels.product
2195                s_params = modelinfo.ParameterTable(all_params[p_pars_len:p_pars_len+s_pars_len])
2196                s_params_orig = modelinfo.ParameterTable(s_kernel._model_info.parameters.kernel_parameters)
2197                product_params = modelinfo.ParameterTable(
2198                        self.kernel_module._model_info.parameters.kernel_parameters[p_pars_len+s_pars_len:])
2199            else:
2200                # Ensure radius_effective is not displayed
2201                s_params_orig = modelinfo.ParameterTable(s_kernel._model_info.parameters.kernel_parameters[1:])
2202                if "radius_effective" in all_param_names:
2203                    # In this case, radius_effective is NOT pruned by sasmodels.product
2204                    s_params = modelinfo.ParameterTable(all_params[p_pars_len+1:p_pars_len+s_pars_len])
2205                    product_params = modelinfo.ParameterTable(
2206                            self.kernel_module._model_info.parameters.kernel_parameters[p_pars_len+s_pars_len:])
2207                else:
2208                    # In this case, radius_effective is pruned by sasmodels.product
2209                    s_params = modelinfo.ParameterTable(all_params[p_pars_len:p_pars_len+s_pars_len-1])
2210                    product_params = modelinfo.ParameterTable(
2211                            self.kernel_module._model_info.parameters.kernel_parameters[p_pars_len+s_pars_len-1:])
2212
2213        # Add heading row
2214        FittingUtilities.addHeadingRowToModel(self._model_model, structure_factor)
2215
2216        # Get new rows for QModel
2217        # Any renamed parameters are stored as data in the relevant item, for later handling
2218        FittingUtilities.addSimpleParametersToModel(
2219                parameters=s_params,
2220                is2D=self.is2D,
2221                parameters_original=s_params_orig,
2222                model=self._model_model,
2223                view=self.lstParams)
2224
2225        # Insert product-only params into QModel
2226        if product_params:
2227            prod_rows = FittingUtilities.addSimpleParametersToModel(
2228                    parameters=product_params,
2229                    is2D=self.is2D,
2230                    parameters_original=None,
2231                    model=self._model_model,
2232                    view=self.lstParams,
2233                    row_num=2)
2234
2235            # Since this all happens after shells are dealt with and we've inserted rows, fix this counter
2236            self._n_shells_row += len(prod_rows)
2237
2238    def haveParamsToFit(self):
2239        """
2240        Finds out if there are any parameters ready to be fitted
2241        """
2242        return (self.main_params_to_fit!=[]
2243                or self.poly_params_to_fit!=[]
2244                or self.magnet_params_to_fit != []) and \
2245                self.logic.data_is_loaded
2246
2247    def onMainParamsChange(self, item):
2248        """
2249        Callback method for updating the sasmodel parameters with the GUI values
2250        """
2251        model_column = item.column()
2252
2253        if model_column == 0:
2254            self.checkboxSelected(item)
2255            self.cmdFit.setEnabled(self.haveParamsToFit())
2256            # Update state stack
2257            self.updateUndo()
2258            return
2259
2260        model_row = item.row()
2261        name_index = self._model_model.index(model_row, 0)
2262        name_item = self._model_model.itemFromIndex(name_index)
2263
2264        # Extract changed value.
2265        try:
2266            value = GuiUtils.toDouble(item.text())
2267        except TypeError:
2268            # Unparsable field
2269            return
2270
2271        # if the item has user data, this is the actual parameter name (e.g. to handle duplicate names)
2272        if name_item.data(QtCore.Qt.UserRole):
2273            parameter_name = str(name_item.data(QtCore.Qt.UserRole))
2274        else:
2275            parameter_name = str(self._model_model.data(name_index))
2276
2277        # Update the parameter value - note: this supports +/-inf as well
2278        self.kernel_module.params[parameter_name] = value
2279
2280        # Update the parameter value - note: this supports +/-inf as well
2281        param_column = self.lstParams.itemDelegate().param_value
2282        min_column = self.lstParams.itemDelegate().param_min
2283        max_column = self.lstParams.itemDelegate().param_max
2284        if model_column == param_column:
2285            self.kernel_module.setParam(parameter_name, value)
2286        elif model_column == min_column:
2287            # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf]
2288            self.kernel_module.details[parameter_name][1] = value
2289        elif model_column == max_column:
2290            self.kernel_module.details[parameter_name][2] = value
2291        else:
2292            # don't update the chart
2293            return
2294
2295        # TODO: magnetic params in self.kernel_module.details['M0:parameter_name'] = value
2296        # TODO: multishell params in self.kernel_module.details[??] = value
2297
2298        # handle display of effective radius parameter according to radius_effective_mode; pass ER into model if
2299        # necessary
2300        self.processEffectiveRadius()
2301
2302        # Force the chart update when actual parameters changed
2303        if model_column == 1:
2304            self.recalculatePlotData()
2305
2306        # Update state stack
2307        self.updateUndo()
2308
2309    def processEffectiveRadius(self):
2310        """
2311        Checks the value of radius_effective_mode, if existent, and processes radius_effective as necessary.
2312        * mode == 0: This means 'unconstrained'; ensure use can specify ER.
2313        * mode > 0: This means it is constrained to a P(Q)-computed value in sasmodels; prevent user from editing ER.
2314
2315        Note: If ER has been computed, it is passed back to SasView as an intermediate result. That value must be
2316        displayed for the user; that is not dealt with here, but in complete1D.
2317        """
2318        ER_row = self.getRowFromName("radius_effective")
2319        if ER_row is None:
2320            return
2321
2322        ER_mode_row = self.getRowFromName("radius_effective_mode")
2323        if ER_mode_row is None:
2324            return
2325
2326        try:
2327            ER_mode = int(self._model_model.item(ER_mode_row, 1).text())
2328        except ValueError:
2329            logging.error("radius_effective_mode was set to an invalid value.")
2330            return
2331
2332        if ER_mode == 0:
2333            # ensure the ER value can be modified by user
2334            self.setParamEditableByRow(ER_row, True)
2335        elif ER_mode > 0:
2336            # ensure the ER value cannot be modified by user
2337            self.setParamEditableByRow(ER_row, False)
2338        else:
2339            logging.error("radius_effective_mode was set to an invalid value.")
2340
2341    def setParamEditableByRow(self, row, editable=True):
2342        """
2343        Sets whether the user can edit a parameter in the table. If they cannot, the parameter name's font is changed,
2344        the value itself cannot be edited if clicked on, and the parameter may not be fitted.
2345        """
2346        item_name = self._model_model.item(row, 0)
2347        item_value = self._model_model.item(row, 1)
2348
2349        item_value.setEditable(editable)
2350
2351        if editable:
2352            # reset font
2353            item_name.setFont(QtGui.QFont())
2354            # reset colour
2355            item_name.setForeground(QtGui.QBrush())
2356            # make checkable
2357            item_name.setCheckable(True)
2358        else:
2359            # change font
2360            font = QtGui.QFont()
2361            font.setItalic(True)
2362            item_name.setFont(font)
2363            # change colour
2364            item_name.setForeground(QtGui.QBrush(QtGui.QColor(50, 50, 50)))
2365            # make not checkable (and uncheck)
2366            item_name.setCheckState(QtCore.Qt.Unchecked)
2367            item_name.setCheckable(False)
2368
2369    def isCheckable(self, row):
2370        return self._model_model.item(row, 0).isCheckable()
2371
2372    def checkboxSelected(self, item):
2373        # Assure we're dealing with checkboxes
2374        if not item.isCheckable():
2375            return
2376        status = item.checkState()
2377
2378        # If multiple rows selected - toggle all of them, filtering uncheckable
2379        # Switch off signaling from the model to avoid recursion
2380        self._model_model.blockSignals(True)
2381        # Convert to proper indices and set requested enablement
2382        self.setParameterSelection(status)
2383        self._model_model.blockSignals(False)
2384
2385        # update the list of parameters to fit
2386        self.main_params_to_fit = self.checkedListFromModel(self._model_model)
2387
2388    def checkedListFromModel(self, model):
2389        """
2390        Returns list of checked parameters for given model
2391        """
2392        def isChecked(row):
2393            return model.item(row, 0).checkState() == QtCore.Qt.Checked
2394
2395        return [str(model.item(row_index, 0).text())
2396                for row_index in range(model.rowCount())
2397                if isChecked(row_index)]
2398
2399    def createNewIndex(self, fitted_data):
2400        """
2401        Create a model or theory index with passed Data1D/Data2D
2402        """
2403        if self.data_is_loaded:
2404            if not fitted_data.name:
2405                name = self.nameForFittedData(self.data.filename)
2406                fitted_data.title = name
2407                fitted_data.name = name
2408                fitted_data.filename = name
2409                fitted_data.symbol = "Line"
2410            self.updateModelIndex(fitted_data)
2411        else:
2412            if not fitted_data.name:
2413                name = self.nameForFittedData(self.kernel_module.id)
2414            else:
2415                name = fitted_data.name
2416            fitted_data.title = name
2417            fitted_data.filename = name
2418            fitted_data.symbol = "Line"
2419            self.createTheoryIndex(fitted_data)
2420            # Switch to the theory tab for user's glee
2421            self.communicate.changeDataExplorerTabSignal.emit(1)
2422
2423    def updateModelIndex(self, fitted_data):
2424        """
2425        Update a QStandardModelIndex containing model data
2426        """
2427        name = self.nameFromData(fitted_data)
2428        # Make this a line if no other defined
2429        if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None:
2430            fitted_data.symbol = 'Line'
2431        # Notify the GUI manager so it can update the main model in DataExplorer
2432        GuiUtils.updateModelItemWithPlot(self.all_data[self.data_index], fitted_data, name)
2433
2434    def createTheoryIndex(self, fitted_data):
2435        """
2436        Create a QStandardModelIndex containing model data
2437        """
2438        name = self.nameFromData(fitted_data)
2439        # Notify the GUI manager so it can create the theory model in DataExplorer
2440        self.theory_item = GuiUtils.createModelItemWithPlot(fitted_data, name=name)
2441        self.communicate.updateTheoryFromPerspectiveSignal.emit(self.theory_item)
2442
2443    def nameFromData(self, fitted_data):
2444        """
2445        Return name for the dataset. Terribly impure function.
2446        """
2447        if fitted_data.name is None:
2448            name = self.nameForFittedData(self.logic.data.filename)
2449            fitted_data.title = name
2450            fitted_data.name = name
2451            fitted_data.filename = name
2452        else:
2453            name = fitted_data.name
2454        return name
2455
2456    def methodCalculateForData(self):
2457        '''return the method for data calculation'''
2458        return Calc1D if isinstance(self.data, Data1D) else Calc2D
2459
2460    def methodCompleteForData(self):
2461        '''return the method for result parsin on calc complete '''
2462        return self.completed1D if isinstance(self.data, Data1D) else self.completed2D
2463
2464    def updateKernelModelWithExtraParams(self, model=None):
2465        """
2466        Updates kernel model 'model' with extra parameters from
2467        the polydisp and magnetism tab, if the tabs are enabled
2468        """
2469        if model is None: return
2470        if not hasattr(model, 'setParam'): return
2471
2472        # add polydisperse parameters if asked
2473        if self.chkPolydispersity.isChecked() and self._poly_model.rowCount() > 0:
2474            for key, value in self.poly_params.items():
2475                model.setParam(key, value)
2476        # add magnetic params if asked
2477        if self.chkMagnetism.isChecked():
2478            for key, value in self.magnet_params.items() and self._magnet_model.rowCount() > 0:
2479                model.setParam(key, value)
2480
2481    def calculateQGridForModelExt(self, data=None, model=None, completefn=None, use_threads=True):
2482        """
2483        Wrapper for Calc1D/2D calls
2484        """
2485        if data is None:
2486            data = self.data
2487        if model is None:
2488            model = copy.deepcopy(self.kernel_module)
2489            self.updateKernelModelWithExtraParams(model)
2490
2491        if completefn is None:
2492            completefn = self.methodCompleteForData()
2493        smearer = self.smearing_widget.smearer()
2494        weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting)
2495
2496        # Disable buttons/table
2497        self.disableInteractiveElements()
2498        # Awful API to a backend method.
2499        calc_thread = self.methodCalculateForData()(data=data,
2500                                               model=model,
2501                                               page_id=0,
2502                                               qmin=self.q_range_min,
2503                                               qmax=self.q_range_max,
2504                                               smearer=smearer,
2505                                               state=None,
2506                                               weight=weight,
2507                                               fid=None,
2508                                               toggle_mode_on=False,
2509                                               completefn=completefn,
2510                                               update_chisqr=True,
2511                                               exception_handler=self.calcException,
2512                                               source=None)
2513        if use_threads:
2514            if LocalConfig.USING_TWISTED:
2515                # start the thread with twisted
2516                thread = threads.deferToThread(calc_thread.compute)
2517                thread.addCallback(completefn)
2518                thread.addErrback(self.calculateDataFailed)
2519            else:
2520                # Use the old python threads + Queue
2521                calc_thread.queue()
2522                calc_thread.ready(2.5)
2523        else:
2524            results = calc_thread.compute()
2525            completefn(results)
2526
2527    def calculateQGridForModel(self):
2528        """
2529        Prepare the fitting data object, based on current ModelModel
2530        """
2531        if self.kernel_module is None:
2532            return
2533        self.calculateQGridForModelExt()
2534
2535    def calculateDataFailed(self, reason):
2536        """
2537        Thread returned error
2538        """
2539        # Bring the GUI to normal state
2540        self.enableInteractiveElements()
2541        print("Calculate Data failed with ", reason)
2542
2543    def completed1D(self, return_data):
2544        self.Calc1DFinishedSignal.emit(return_data)
2545
2546    def completed2D(self, return_data):
2547        self.Calc2DFinishedSignal.emit(return_data)
2548
2549    def complete1D(self, return_data):
2550        """
2551        Plot the current 1D data
2552        """
2553        # Bring the GUI to normal state
2554        self.enableInteractiveElements()
2555        if return_data is None:
2556            self.calculateDataFailed("Results not available.")
2557            return
2558        fitted_data = self.logic.new1DPlot(return_data, self.tab_id)
2559
2560        residuals = self.calculateResiduals(fitted_data)
2561        self.model_data = fitted_data
2562        new_plots = [fitted_data]
2563        if residuals is not None:
2564            new_plots.append(residuals)
2565
2566        if self.data_is_loaded:
2567            # delete any plots associated with the data that were not updated
2568            # (e.g. to remove beta(Q), S_eff(Q))
2569            GuiUtils.deleteRedundantPlots(self.all_data[self.data_index], new_plots)
2570            pass
2571        else:
2572            # delete theory items for the model, in order to get rid of any
2573            # redundant items, e.g. beta(Q), S_eff(Q)
2574            self.communicate.deleteIntermediateTheoryPlotsSignal.emit(self.kernel_module.id)
2575
2576        # Create plots for parameters with enabled polydispersity
2577        for plot in FittingUtilities.plotPolydispersities(return_data.get('model', None)):
2578            data_id = fitted_data.id.split()
2579            plot.id = "{} [{}] {}".format(data_id[0], plot.name, " ".join(data_id[1:]))
2580            data_name = fitted_data.name.split()
2581            plot.name = " ".join([data_name[0], plot.name] + data_name[1:])
2582            self.createNewIndex(plot)
2583            new_plots.append(plot)
2584
2585        # Create plots for intermediate product data
2586        plots = self.logic.new1DProductPlots(return_data, self.tab_id)
2587        for plot in plots:
2588            plot.symbol = "Line"
2589            self.createNewIndex(plot)
2590            new_plots.append(plot)
2591
2592        for plot in new_plots:
2593            self.communicate.plotUpdateSignal.emit([plot])
2594
2595        # Update radius_effective if relevant
2596        def updateRadiusEffective():
2597            ER_mode_row = self.getRowFromName("radius_effective_mode")
2598            if ER_mode_row is None:
2599                return
2600            try:
2601                ER_mode = int(self._model_model.item(ER_mode_row, 1).text())
2602            except ValueError:
2603                logging.error("radius_effective_mode was set to an invalid value.")
2604                return
2605            if ER_mode < 1:
2606                # does not need updating if it is not being computed
2607                return
2608
2609            ER_row = self.getRowFromName("radius_effective")
2610            if ER_row is None:
2611                return
2612
2613            scalar_results = self.logic.getScalarIntermediateResults(return_data)
2614            ER_value = scalar_results.get("effective_radius") # note name of key
2615            if ER_value is None:
2616                return
2617            # ensure the model does not recompute when updating the value
2618            self._model_model.blockSignals(True)
2619            self._model_model.item(ER_row, 1).setText(str(ER_value))
2620            self._model_model.blockSignals(False)
2621            # ensure the view is updated immediately
2622            self._model_model.layoutChanged.emit()
2623
2624        updateRadiusEffective()
2625
2626    def complete2D(self, return_data):
2627        """
2628        Plot the current 2D data
2629        """
2630        # Bring the GUI to normal state
2631        self.enableInteractiveElements()
2632
2633        fitted_data = self.logic.new2DPlot(return_data)
2634        residuals = self.calculateResiduals(fitted_data)
2635        self.model_data = fitted_data
2636        new_plots = [fitted_data]
2637        if residuals is not None:
2638            new_plots.append(residuals)
2639
2640        # Update/generate plots
2641        for plot in new_plots:
2642            self.communicate.plotUpdateSignal.emit([plot])
2643
2644    def calculateResiduals(self, fitted_data):
2645        """
2646        Calculate and print Chi2 and display chart of residuals. Returns residuals plot object.
2647        """
2648        # Create a new index for holding data
2649        fitted_data.symbol = "Line"
2650
2651        # Modify fitted_data with weighting
2652        weighted_data = self.addWeightingToData(fitted_data)
2653
2654        self.createNewIndex(weighted_data)
2655        # Calculate difference between return_data and logic.data
2656        self.chi2 = FittingUtilities.calculateChi2(weighted_data, self.logic.data)
2657        # Update the control
2658        chi2_repr = "---" if self.chi2 is None else GuiUtils.formatNumber(self.chi2, high=True)
2659        self.lblChi2Value.setText(chi2_repr)
2660
2661        # Plot residuals if actual data
2662        if not self.data_is_loaded:
2663            return
2664
2665        residuals_plot = FittingUtilities.plotResiduals(self.data, weighted_data)
2666        residuals_plot.id = "Residual " + residuals_plot.id
2667        residuals_plot.plot_role = Data1D.ROLE_RESIDUAL
2668        self.createNewIndex(residuals_plot)
2669        return residuals_plot
2670
2671    def onCategoriesChanged(self):
2672            """
2673            Reload the category/model comboboxes
2674            """
2675            # Store the current combo indices
2676            current_cat = self.cbCategory.currentText()
2677            current_model = self.cbModel.currentText()
2678
2679            # reread the category file and repopulate the combo
2680            self.cbCategory.blockSignals(True)
2681            self.cbCategory.clear()
2682            self.readCategoryInfo()
2683            self.initializeCategoryCombo()
2684
2685            # Scroll back to the original index in Categories
2686            new_index = self.cbCategory.findText(current_cat)
2687            if new_index != -1:
2688                self.cbCategory.setCurrentIndex(new_index)
2689            self.cbCategory.blockSignals(False)
2690            # ...and in the Models
2691            self.cbModel.blockSignals(True)
2692            new_index = self.cbModel.findText(current_model)
2693            if new_index != -1:
2694                self.cbModel.setCurrentIndex(new_index)
2695            self.cbModel.blockSignals(False)
2696
2697            return
2698
2699    def calcException(self, etype, value, tb):
2700        """
2701        Thread threw an exception.
2702        """
2703        # Bring the GUI to normal state
2704        self.enableInteractiveElements()
2705        # TODO: remimplement thread cancellation
2706        logger.error("".join(traceback.format_exception(etype, value, tb)))
2707
2708    def setTableProperties(self, table):
2709        """
2710        Setting table properties
2711        """
2712        # Table properties
2713        table.verticalHeader().setVisible(False)
2714        table.setAlternatingRowColors(True)
2715        table.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
2716        table.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows)
2717        table.resizeColumnsToContents()
2718
2719        # Header
2720        header = table.horizontalHeader()
2721        header.setSectionResizeMode(QtWidgets.QHeaderView.ResizeToContents)
2722        header.ResizeMode(QtWidgets.QHeaderView.Interactive)
2723
2724        # Qt5: the following 2 lines crash - figure out why!
2725        # Resize column 0 and 7 to content
2726        #header.setSectionResizeMode(0, QtWidgets.QHeaderView.ResizeToContents)
2727        #header.setSectionResizeMode(7, QtWidgets.QHeaderView.ResizeToContents)
2728
2729    def setPolyModel(self):
2730        """
2731        Set polydispersity values
2732        """
2733        if not self.model_parameters:
2734            return
2735        self._poly_model.clear()
2736
2737        parameters = self.model_parameters.form_volume_parameters
2738        if self.is2D:
2739            parameters += self.model_parameters.orientation_parameters
2740
2741        [self.setPolyModelParameters(i, param) for i, param in \
2742            enumerate(parameters) if param.polydisperse]
2743
2744        FittingUtilities.addPolyHeadersToModel(self._poly_model)
2745
2746    def setPolyModelParameters(self, i, param):
2747        """
2748        Standard of multishell poly parameter driver
2749        """
2750        param_name = param.name
2751        # see it the parameter is multishell
2752        if '[' in param.name:
2753            # Skip empty shells
2754            if self.current_shell_displayed == 0:
2755                return
2756            else:
2757                # Create as many entries as current shells
2758                for ishell in range(1, self.current_shell_displayed+1):
2759                    # Remove [n] and add the shell numeral
2760                    name = param_name[0:param_name.index('[')] + str(ishell)
2761                    self.addNameToPolyModel(i, name)
2762        else:
2763            # Just create a simple param entry
2764            self.addNameToPolyModel(i, param_name)
2765
2766    def addNameToPolyModel(self, i, param_name):
2767        """
2768        Creates a checked row in the poly model with param_name
2769        """
2770        # Polydisp. values from the sasmodel
2771        width = self.kernel_module.getParam(param_name + '.width')
2772        npts = self.kernel_module.getParam(param_name + '.npts')
2773        nsigs = self.kernel_module.getParam(param_name + '.nsigmas')
2774        _, min, max = self.kernel_module.details[param_name]
2775
2776        # Update local param dict
2777        self.poly_params[param_name + '.width'] = width
2778        self.poly_params[param_name + '.npts'] = npts
2779        self.poly_params[param_name + '.nsigmas'] = nsigs
2780
2781        # Construct a row with polydisp. related variable.
2782        # This will get added to the polydisp. model
2783        # Note: last argument needs extra space padding for decent display of the control
2784        checked_list = ["Distribution of " + param_name, str(width),
2785                        str(min), str(max),
2786                        str(npts), str(nsigs), "gaussian      ",'']
2787        FittingUtilities.addCheckedListToModel(self._poly_model, checked_list)
2788
2789        # All possible polydisp. functions as strings in combobox
2790        func = QtWidgets.QComboBox()
2791        func.addItems([str(name_disp) for name_disp in POLYDISPERSITY_MODELS.keys()])
2792        # Set the default index
2793        func.setCurrentIndex(func.findText(DEFAULT_POLYDISP_FUNCTION))
2794        ind = self._poly_model.index(i,self.lstPoly.itemDelegate().poly_function)
2795        self.lstPoly.setIndexWidget(ind, func)
2796        func.currentIndexChanged.connect(lambda: self.onPolyComboIndexChange(str(func.currentText()), i))
2797
2798    def onPolyFilenameChange(self, row_index):
2799        """
2800        Respond to filename_updated signal from the delegate
2801        """
2802        # For the given row, invoke the "array" combo handler
2803        array_caption = 'array'
2804
2805        # Get the combo box reference
2806        ind = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
2807        widget = self.lstPoly.indexWidget(ind)
2808
2809        # Update the combo box so it displays "array"
2810        widget.blockSignals(True)
2811        widget.setCurrentIndex(self.lstPoly.itemDelegate().POLYDISPERSE_FUNCTIONS.index(array_caption))
2812        widget.blockSignals(False)
2813
2814        # Invoke the file reader
2815        self.onPolyComboIndexChange(array_caption, row_index)
2816
2817    def onPolyComboIndexChange(self, combo_string, row_index):
2818        """
2819        Modify polydisp. defaults on function choice
2820        """
2821        # Get npts/nsigs for current selection
2822        param = self.model_parameters.form_volume_parameters[row_index]
2823        file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
2824        combo_box = self.lstPoly.indexWidget(file_index)
2825
2826        def updateFunctionCaption(row):
2827            # Utility function for update of polydispersity function name in the main model
2828            if not self.isCheckable(row):
2829                return
2830            self._model_model.blockSignals(True)
2831            param_name = str(self._model_model.item(row, 0).text())
2832            self._model_model.blockSignals(False)
2833            if param_name !=  param.name:
2834                return
2835            # Modify the param value
2836            self._model_model.blockSignals(True)
2837            if self.has_error_column:
2838                # err column changes the indexing
2839                self._model_model.item(row, 0).child(0).child(0,5).setText(combo_string)
2840            else:
2841                self._model_model.item(row, 0).child(0).child(0,4).setText(combo_string)
2842            self._model_model.blockSignals(False)
2843
2844        if combo_string == 'array':
2845            try:
2846                self.loadPolydispArray(row_index)
2847                # Update main model for display
2848                self.iterateOverModel(updateFunctionCaption)
2849                # disable the row
2850                lo = self.lstPoly.itemDelegate().poly_pd
2851                hi = self.lstPoly.itemDelegate().poly_function
2852                [self._poly_model.item(row_index, i).setEnabled(False) for i in range(lo, hi)]
2853                return
2854            except IOError:
2855                combo_box.setCurrentIndex(self.orig_poly_index)
2856                # Pass for cancel/bad read
2857                pass
2858
2859        # Enable the row in case it was disabled by Array
2860        self._poly_model.blockSignals(True)
2861        max_range = self.lstPoly.itemDelegate().poly_filename
2862        [self._poly_model.item(row_index, i).setEnabled(True) for i in range(7)]
2863        file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
2864        self._poly_model.setData(file_index, "")
2865        self._poly_model.blockSignals(False)
2866
2867        npts_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_npts)
2868        nsigs_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_nsigs)
2869
2870        npts = POLYDISPERSITY_MODELS[str(combo_string)].default['npts']
2871        nsigs = POLYDISPERSITY_MODELS[str(combo_string)].default['nsigmas']
2872
2873        self._poly_model.setData(npts_index, npts)
2874        self._poly_model.setData(nsigs_index, nsigs)
2875
2876        self.iterateOverModel(updateFunctionCaption)
2877        self.orig_poly_index = combo_box.currentIndex()
2878
2879    def loadPolydispArray(self, row_index):
2880        """
2881        Show the load file dialog and loads requested data into state
2882        """
2883        datafile = QtWidgets.QFileDialog.getOpenFileName(
2884            self, "Choose a weight file", "", "All files (*.*)", None,
2885            QtWidgets.QFileDialog.DontUseNativeDialog)[0]
2886
2887        if not datafile:
2888            logger.info("No weight data chosen.")
2889            raise IOError
2890
2891        values = []
2892        weights = []
2893        def appendData(data_tuple):
2894            """
2895            Fish out floats from a tuple of strings
2896            """
2897            try:
2898                values.append(float(data_tuple[0]))
2899                weights.append(float(data_tuple[1]))
2900            except (ValueError, IndexError):
2901                # just pass through if line with bad data
2902                return
2903
2904        with open(datafile, 'r') as column_file:
2905            column_data = [line.rstrip().split() for line in column_file.readlines()]
2906            [appendData(line) for line in column_data]
2907
2908        # If everything went well - update the sasmodel values
2909        self.disp_model = POLYDISPERSITY_MODELS['array']()
2910        self.disp_model.set_weights(np.array(values), np.array(weights))
2911        # + update the cell with filename
2912        fname = os.path.basename(str(datafile))
2913        fname_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
2914        self._poly_model.setData(fname_index, fname)
2915
2916    def onColumnWidthUpdate(self, index, old_size, new_size):
2917        """
2918        Simple state update of the current column widths in the  param list
2919        """
2920        self.lstParamHeaderSizes[index] = new_size
2921
2922    def setMagneticModel(self):
2923        """
2924        Set magnetism values on model
2925        """
2926        if not self.model_parameters:
2927            return
2928        self._magnet_model.clear()
2929        [self.addCheckedMagneticListToModel(param, self._magnet_model) for param in \
2930            self.model_parameters.call_parameters if param.type == 'magnetic']
2931        FittingUtilities.addHeadersToModel(self._magnet_model)
2932
2933    def shellNamesList(self):
2934        """
2935        Returns list of names of all multi-shell parameters
2936        E.g. for sld[n], radius[n], n=1..3 it will return
2937        [sld1, sld2, sld3, radius1, radius2, radius3]
2938        """
2939        multi_names = [p.name[:p.name.index('[')] for p in self.model_parameters.iq_parameters if '[' in p.name]
2940        top_index = self.kernel_module.multiplicity_info.number
2941        shell_names = []
2942        for i in range(1, top_index+1):
2943            for name in multi_names:
2944                shell_names.append(name+str(i))
2945        return shell_names
2946
2947    def addCheckedMagneticListToModel(self, param, model):
2948        """
2949        Wrapper for model update with a subset of magnetic parameters
2950        """
2951        if param.name[param.name.index(':')+1:] in self.shell_names:
2952            # check if two-digit shell number
2953            try:
2954                shell_index = int(param.name[-2:])
2955            except ValueError:
2956                shell_index = int(param.name[-1:])
2957
2958            if shell_index > self.current_shell_displayed:
2959                return
2960
2961        checked_list = [param.name,
2962                        str(param.default),
2963                        str(param.limits[0]),
2964                        str(param.limits[1]),
2965                        param.units]
2966
2967        self.magnet_params[param.name] = param.default
2968
2969        FittingUtilities.addCheckedListToModel(model, checked_list)
2970
2971    def enableStructureFactorControl(self, structure_factor):
2972        """
2973        Add structure factors to the list of parameters
2974        """
2975        if self.kernel_module.is_form_factor or structure_factor == 'None':
2976            self.enableStructureCombo()
2977        else:
2978            self.disableStructureCombo()
2979
2980    def addExtraShells(self):
2981        """
2982        Add a combobox for multiple shell display
2983        """
2984        param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters)
2985
2986        if param_length == 0:
2987            return
2988
2989        # cell 1: variable name
2990        item1 = QtGui.QStandardItem(param_name)
2991
2992        func = QtWidgets.QComboBox()
2993
2994        # cell 2: combobox
2995        item2 = QtGui.QStandardItem()
2996
2997        # cell 3: min value
2998        item3 = QtGui.QStandardItem()
2999
3000        # cell 4: max value
3001        item4 = QtGui.QStandardItem()
3002
3003        # cell 4: SLD button
3004        item5 = QtGui.QStandardItem()
3005        button = QtWidgets.QPushButton()
3006        button.setText("Show SLD Profile")
3007
3008        self._model_model.appendRow([item1, item2, item3, item4, item5])
3009
3010        # Beautify the row:  span columns 2-4
3011        shell_row = self._model_model.rowCount()
3012        shell_index = self._model_model.index(shell_row-1, 1)
3013        button_index = self._model_model.index(shell_row-1, 4)
3014
3015        self.lstParams.setIndexWidget(shell_index, func)
3016        self.lstParams.setIndexWidget(button_index, button)
3017        self._n_shells_row = shell_row - 1
3018
3019        # Get the default number of shells for the model
3020        kernel_pars = self.kernel_module._model_info.parameters.kernel_parameters
3021        shell_par = None
3022        for par in kernel_pars:
3023            if par.name == param_name:
3024                shell_par = par
3025                break
3026        if not shell_par:
3027            logger.error("Could not find %s in kernel parameters.", param_name)
3028        default_shell_count = shell_par.default
3029        shell_min = 0
3030        shell_max = 0
3031        try:
3032            shell_min = int(shell_par.limits[0])
3033            shell_max = int(shell_par.limits[1])
3034        except IndexError as ex:
3035            # no info about limits
3036            pass
3037        item3.setText(str(shell_min))
3038        item4.setText(str(shell_max))
3039
3040        # Respond to index change
3041        func.currentTextChanged.connect(self.modifyShellsInList)
3042
3043        # Respond to button press
3044        button.clicked.connect(self.onShowSLDProfile)
3045
3046        # Available range of shells displayed in the combobox
3047        func.addItems([str(i) for i in range(shell_min, shell_max+1)])
3048
3049        # Add default number of shells to the model
3050        func.setCurrentText(str(default_shell_count))
3051
3052    def modifyShellsInList(self, text):
3053        """
3054        Add/remove additional multishell parameters
3055        """
3056        # Find row location of the combobox
3057        first_row = self._n_shells_row + 1
3058        remove_rows = self._num_shell_params
3059        try:
3060            index = int(text)
3061        except ValueError:
3062            # bad text on the control!
3063            index = 0
3064            logger.error("Multiplicity incorrect! Setting to 0")
3065        self.kernel_module.multiplicity = index
3066        if remove_rows > 1:
3067            self._model_model.removeRows(first_row, remove_rows)
3068
3069        new_rows = FittingUtilities.addShellsToModel(
3070                self.model_parameters,
3071                self._model_model,
3072                index,
3073                first_row,
3074                self.lstParams)
3075
3076        self._num_shell_params = len(new_rows)
3077        self.current_shell_displayed = index
3078
3079        # Param values for existing shells were reset to default; force all changes into kernel module
3080        for row in new_rows:
3081            par = row[0].text()
3082            val = GuiUtils.toDouble(row[1].text())
3083            self.kernel_module.setParam(par, val)
3084
3085        # Change 'n' in the parameter model; also causes recalculation
3086        self._model_model.item(self._n_shells_row, 1).setText(str(index))
3087
3088        # Update relevant models
3089        self.setPolyModel()
3090        self.setMagneticModel()
3091
3092    def onShowSLDProfile(self):
3093        """
3094        Show a quick plot of SLD profile
3095        """
3096        # get profile data
3097        x, y = self.kernel_module.getProfile()
3098        y *= 1.0e6
3099        profile_data = Data1D(x=x, y=y)
3100        profile_data.name = "SLD"
3101        profile_data.scale = 'linear'
3102        profile_data.symbol = 'Line'
3103        profile_data.hide_error = True
3104        profile_data._xaxis = "R(\AA)"
3105        profile_data._yaxis = "SLD(10^{-6}\AA^{-2})"
3106
3107        plotter = PlotterWidget(self, quickplot=True)
3108        plotter.data = profile_data
3109        plotter.showLegend = True
3110        plotter.plot(hide_error=True, marker='-')
3111
3112        self.plot_widget = QtWidgets.QWidget()
3113        self.plot_widget.setWindowTitle("Scattering Length Density Profile")
3114        layout = QtWidgets.QVBoxLayout()
3115        layout.addWidget(plotter)
3116        self.plot_widget.setLayout(layout)
3117        self.plot_widget.show()
3118
3119    def setInteractiveElements(self, enabled=True):
3120        """
3121        Switch interactive GUI elements on/off
3122        """
3123        assert isinstance(enabled, bool)
3124
3125        self.lstParams.setEnabled(enabled)
3126        self.lstPoly.setEnabled(enabled)
3127        self.lstMagnetic.setEnabled(enabled)
3128
3129        self.cbCategory.setEnabled(enabled)
3130        self.cbModel.setEnabled(enabled)
3131        self.cbStructureFactor.setEnabled(enabled)
3132
3133        self.chkPolydispersity.setEnabled(enabled)
3134        self.chkMagnetism.setEnabled(enabled)
3135        self.chk2DView.setEnabled(enabled)
3136
3137    def enableInteractiveElements(self):
3138        """
3139        Set buttion caption on fitting/calculate finish
3140        Enable the param table(s)
3141        """
3142        # Notify the user that fitting is available
3143        self.cmdFit.setStyleSheet('QPushButton {color: black;}')
3144        self.cmdFit.setText("Fit")
3145        self.fit_started = False
3146        self.setInteractiveElements(True)
3147
3148    def disableInteractiveElements(self):
3149        """
3150        Set buttion caption on fitting/calculate start
3151        Disable the param table(s)
3152        """
3153        # Notify the user that fitting is being run
3154        # Allow for stopping the job
3155        self.cmdFit.setStyleSheet('QPushButton {color: red;}')
3156        self.cmdFit.setText('Stop fit')
3157        self.setInteractiveElements(False)
3158
3159    def readFitPage(self, fp):
3160        """
3161        Read in state from a fitpage object and update GUI
3162        """
3163        assert isinstance(fp, FitPage)
3164        # Main tab info
3165        self.logic.data.filename = fp.filename
3166        self.data_is_loaded = fp.data_is_loaded
3167        self.chkPolydispersity.setCheckState(fp.is_polydisperse)
3168        self.chkMagnetism.setCheckState(fp.is_magnetic)
3169        self.chk2DView.setCheckState(fp.is2D)
3170
3171        # Update the comboboxes
3172        self.cbCategory.setCurrentIndex(self.cbCategory.findText(fp.current_category))
3173        self.cbModel.setCurrentIndex(self.cbModel.findText(fp.current_model))
3174        if fp.current_factor:
3175            self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(fp.current_factor))
3176
3177        self.chi2 = fp.chi2
3178
3179        # Options tab
3180        self.q_range_min = fp.fit_options[fp.MIN_RANGE]
3181        self.q_range_max = fp.fit_options[fp.MAX_RANGE]
3182        self.npts = fp.fit_options[fp.NPTS]
3183        self.log_points = fp.fit_options[fp.LOG_POINTS]
3184        self.weighting = fp.fit_options[fp.WEIGHTING]
3185
3186        # Models
3187        self._model_model = fp.model_model
3188        self._poly_model = fp.poly_model
3189        self._magnet_model = fp.magnetism_model
3190
3191        # Resolution tab
3192        smearing = fp.smearing_options[fp.SMEARING_OPTION]
3193        accuracy = fp.smearing_options[fp.SMEARING_ACCURACY]
3194        smearing_min = fp.smearing_options[fp.SMEARING_MIN]
3195        smearing_max = fp.smearing_options[fp.SMEARING_MAX]
3196        self.smearing_widget.setState(smearing, accuracy, smearing_min, smearing_max)
3197
3198        # TODO: add polidyspersity and magnetism
3199
3200    def saveToFitPage(self, fp):
3201        """
3202        Write current state to the given fitpage
3203        """
3204        assert isinstance(fp, FitPage)
3205
3206        # Main tab info
3207        fp.filename = self.logic.data.filename
3208        fp.data_is_loaded = self.data_is_loaded
3209        fp.is_polydisperse = self.chkPolydispersity.isChecked()
3210        fp.is_magnetic = self.chkMagnetism.isChecked()
3211        fp.is2D = self.chk2DView.isChecked()
3212        fp.data = self.data
3213
3214        # Use current models - they contain all the required parameters
3215        fp.model_model = self._model_model
3216        fp.poly_model = self._poly_model
3217        fp.magnetism_model = self._magnet_model
3218
3219        if self.cbCategory.currentIndex() != 0:
3220            fp.current_category = str(self.cbCategory.currentText())
3221            fp.current_model = str(self.cbModel.currentText())
3222
3223        if self.cbStructureFactor.isEnabled() and self.cbStructureFactor.currentIndex() != 0:
3224            fp.current_factor = str(self.cbStructureFactor.currentText())
3225        else:
3226            fp.current_factor = ''
3227
3228        fp.chi2 = self.chi2
3229        fp.main_params_to_fit = self.main_params_to_fit
3230        fp.poly_params_to_fit = self.poly_params_to_fit
3231        fp.magnet_params_to_fit = self.magnet_params_to_fit
3232        fp.kernel_module = self.kernel_module
3233
3234        # Algorithm options
3235        # fp.algorithm = self.parent.fit_options.selected_id
3236
3237        # Options tab
3238        fp.fit_options[fp.MIN_RANGE] = self.q_range_min
3239        fp.fit_options[fp.MAX_RANGE] = self.q_range_max
3240        fp.fit_options[fp.NPTS] = self.npts
3241        #fp.fit_options[fp.NPTS_FIT] = self.npts_fit
3242        fp.fit_options[fp.LOG_POINTS] = self.log_points
3243        fp.fit_options[fp.WEIGHTING] = self.weighting
3244
3245        # Resolution tab
3246        smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state()
3247        fp.smearing_options[fp.SMEARING_OPTION] = smearing
3248        fp.smearing_options[fp.SMEARING_ACCURACY] = accuracy
3249        fp.smearing_options[fp.SMEARING_MIN] = smearing_min
3250        fp.smearing_options[fp.SMEARING_MAX] = smearing_max
3251
3252        # TODO: add polidyspersity and magnetism
3253
3254    def updateUndo(self):
3255        """
3256        Create a new state page and add it to the stack
3257        """
3258        if self.undo_supported:
3259            self.pushFitPage(self.currentState())
3260
3261    def currentState(self):
3262        """
3263        Return fit page with current state
3264        """
3265        new_page = FitPage()
3266        self.saveToFitPage(new_page)
3267
3268        return new_page
3269
3270    def pushFitPage(self, new_page):
3271        """
3272        Add a new fit page object with current state
3273        """
3274        self.page_stack.append(new_page)
3275
3276    def popFitPage(self):
3277        """
3278        Remove top fit page from stack
3279        """
3280        if self.page_stack:
3281            self.page_stack.pop()
3282
3283    def getReport(self):
3284        """
3285        Create and return HTML report with parameters and charts
3286        """
3287        index = None
3288        if self.all_data:
3289            index = self.all_data[self.data_index]
3290        else:
3291            index = self.theory_item
3292        report_logic = ReportPageLogic(self,
3293                                       kernel_module=self.kernel_module,
3294                                       data=self.data,
3295                                       index=index,
3296                                       model=self._model_model)
3297
3298        return report_logic.reportList()
3299
3300    def savePageState(self):
3301        """
3302        Create and serialize local PageState
3303        """
3304        from sas.sascalc.fit.pagestate import Reader
3305        model = self.kernel_module
3306
3307        # Old style PageState object
3308        state = PageState(model=model, data=self.data)
3309
3310        # Add parameter data to the state
3311        self.getCurrentFitState(state)
3312
3313        # Create the filewriter, aptly named 'Reader'
3314        state_reader = Reader(self.loadPageStateCallback)
3315        filepath = self.saveAsAnalysisFile()
3316        if filepath is None or filepath == "":
3317            return
3318        state_reader.write(filename=filepath, fitstate=state)
3319        pass
3320
3321    def saveAsAnalysisFile(self):
3322        """
3323        Show the save as... dialog and return the chosen filepath
3324        """
3325        default_name = "FitPage"+str(self.tab_id)+".fitv"
3326
3327        wildcard = "fitv files (*.fitv)"
3328        kwargs = {
3329            'caption'   : 'Save As',
3330            'directory' : default_name,
3331            'filter'    : wildcard,
3332            'parent'    : None,
3333        }
3334        # Query user for filename.
3335        filename_tuple = QtWidgets.QFileDialog.getSaveFileName(**kwargs)
3336        filename = filename_tuple[0]
3337        return filename
3338
3339    def loadPageStateCallback(self,state=None, datainfo=None, format=None):
3340        """
3341        This is a callback method called from the CANSAS reader.
3342        We need the instance of this reader only for writing out a file,
3343        so there's nothing here.
3344        Until Load Analysis is implemented, that is.
3345        """
3346        pass
3347
3348    def loadPageState(self, pagestate=None):
3349        """
3350        Load the PageState object and update the current widget
3351        """
3352        pass
3353
3354    def getCurrentFitState(self, state=None):
3355        """
3356        Store current state for fit_page
3357        """
3358        # save model option
3359        #if self.model is not None:
3360        #    self.disp_list = self.getDispParamList()
3361        #    state.disp_list = copy.deepcopy(self.disp_list)
3362        #    #state.model = self.model.clone()
3363
3364        # Comboboxes
3365        state.categorycombobox = self.cbCategory.currentText()
3366        state.formfactorcombobox = self.cbModel.currentText()
3367        if self.cbStructureFactor.isEnabled():
3368            state.structurecombobox = self.cbStructureFactor.currentText()
3369        state.tcChi = self.chi2
3370
3371        state.enable2D = self.is2D
3372
3373        #state.weights = copy.deepcopy(self.weights)
3374        # save data
3375        state.data = copy.deepcopy(self.data)
3376
3377        # save plotting range
3378        state.qmin = self.q_range_min
3379        state.qmax = self.q_range_max
3380        state.npts = self.npts
3381
3382        #    self.state.enable_disp = self.enable_disp.GetValue()
3383        #    self.state.disable_disp = self.disable_disp.GetValue()
3384
3385        #    self.state.enable_smearer = \
3386        #                        copy.deepcopy(self.enable_smearer.GetValue())
3387        #    self.state.disable_smearer = \
3388        #                        copy.deepcopy(self.disable_smearer.GetValue())
3389
3390        #self.state.pinhole_smearer = \
3391        #                        copy.deepcopy(self.pinhole_smearer.GetValue())
3392        #self.state.slit_smearer = copy.deepcopy(self.slit_smearer.GetValue())
3393        #self.state.dI_noweight = copy.deepcopy(self.dI_noweight.GetValue())
3394        #self.state.dI_didata = copy.deepcopy(self.dI_didata.GetValue())
3395        #self.state.dI_sqrdata = copy.deepcopy(self.dI_sqrdata.GetValue())
3396        #self.state.dI_idata = copy.deepcopy(self.dI_idata.GetValue())
3397
3398        p = self.model_parameters
3399        # save checkbutton state and txtcrtl values
3400        state.parameters = FittingUtilities.getStandardParam(self._model_model)
3401        state.orientation_params_disp = FittingUtilities.getOrientationParam(self.kernel_module)
3402
3403        #self._copy_parameters_state(self.orientation_params_disp, self.state.orientation_params_disp)
3404        #self._copy_parameters_state(self.parameters, self.state.parameters)
3405        #self._copy_parameters_state(self.fittable_param, self.state.fittable_param)
3406        #self._copy_parameters_state(self.fixed_param, self.state.fixed_param)
3407
3408    def onParameterCopy(self, format=None):
3409        """
3410        Copy current parameters into the clipboard
3411        """
3412        # run a loop over all parameters and pull out
3413        # first - regular params
3414        param_list = []
3415
3416        param_list.append(['model_name', str(self.cbModel.currentText())])
3417        def gatherParams(row):
3418            """
3419            Create list of main parameters based on _model_model
3420            """
3421            param_name = str(self._model_model.item(row, 0).text())
3422            param_checked = str(self._model_model.item(row, 0).checkState() == QtCore.Qt.Checked)
3423            param_value = str(self._model_model.item(row, 1).text())
3424            param_error = None
3425            param_min = None
3426            param_max = None
3427            column_offset = 0
3428            if self.has_error_column:
3429                param_error = str(self._model_model.item(row, 2).text())
3430                column_offset = 1
3431
3432            try:
3433                param_min = str(self._model_model.item(row, 2+column_offset).text())
3434                param_max = str(self._model_model.item(row, 3+column_offset).text())
3435            except:
3436                pass
3437
3438            param_list.append([param_name, param_checked, param_value, param_error, param_min, param_max])
3439
3440        def gatherPolyParams(row):
3441            """
3442            Create list of polydisperse parameters based on _poly_model
3443            """
3444            param_name = str(self._poly_model.item(row, 0).text()).split()[-1]
3445            param_checked = str(self._poly_model.item(row, 0).checkState() == QtCore.Qt.Checked)
3446            param_value = str(self._poly_model.item(row, 1).text())
3447            param_error = None
3448            column_offset = 0
3449            if self.has_poly_error_column:
3450                param_error = str(self._poly_model.item(row, 2).text())
3451                column_offset = 1
3452            param_min   = str(self._poly_model.item(row, 2+column_offset).text())
3453            param_max   = str(self._poly_model.item(row, 3+column_offset).text())
3454            param_npts  = str(self._poly_model.item(row, 4+column_offset).text())
3455            param_nsigs = str(self._poly_model.item(row, 5+column_offset).text())
3456            param_fun   = str(self._poly_model.item(row, 6+column_offset).text()).rstrip()
3457            # width
3458            name = param_name+".width"
3459            param_list.append([name, param_checked, param_value, param_error,
3460                                param_npts, param_nsigs, param_min, param_max, param_fun])
3461
3462        def gatherMagnetParams(row):
3463            """
3464            Create list of magnetic parameters based on _magnet_model
3465            """
3466            param_name = str(self._magnet_model.item(row, 0).text())
3467            param_checked = str(self._magnet_model.item(row, 0).checkState() == QtCore.Qt.Checked)
3468            param_value = str(self._magnet_model.item(row, 1).text())
3469            param_error = None
3470            column_offset = 0
3471            if self.has_magnet_error_column:
3472                param_error = str(self._magnet_model.item(row, 2).text())
3473                column_offset = 1
3474            param_min = str(self._magnet_model.item(row, 2+column_offset).text())
3475            param_max = str(self._magnet_model.item(row, 3+column_offset).text())
3476            param_list.append([param_name, param_checked, param_value, param_error, param_min, param_max])
3477
3478        self.iterateOverModel(gatherParams)
3479        if self.chkPolydispersity.isChecked():
3480            self.iterateOverPolyModel(gatherPolyParams)
3481        if self.chkMagnetism.isChecked() and self.chkMagnetism.isEnabled():
3482            self.iterateOverMagnetModel(gatherMagnetParams)
3483
3484        if format=="":
3485            formatted_output = FittingUtilities.formatParameters(param_list)
3486        elif format == "Excel":
3487            formatted_output = FittingUtilities.formatParametersExcel(param_list[1:])
3488        elif format == "Latex":
3489            formatted_output = FittingUtilities.formatParametersLatex(param_list[1:])
3490        else:
3491            raise AttributeError("Bad format specifier.")
3492
3493        # Dump formatted_output to the clipboard
3494        cb = QtWidgets.QApplication.clipboard()
3495        cb.setText(formatted_output)
3496
3497    def onParameterPaste(self):
3498        """
3499        Use the clipboard to update fit state
3500        """
3501        # Check if the clipboard contains right stuff
3502        cb = QtWidgets.QApplication.clipboard()
3503        cb_text = cb.text()
3504
3505        context = {}
3506        # put the text into dictionary
3507        lines = cb_text.split(':')
3508        if lines[0] != 'sasview_parameter_values':
3509            return False
3510
3511        model = lines[1].split(',')
3512
3513        if model[0] != 'model_name':
3514            return False
3515
3516        context['model_name'] = [model[1]]
3517        for line in lines[2:-1]:
3518            if len(line) != 0:
3519                item = line.split(',')
3520                check = item[1]
3521                name = item[0]
3522                value = item[2]
3523                # Transfer the text to content[dictionary]
3524                context[name] = [check, value]
3525
3526                # limits
3527                try:
3528                    limit_lo = item[3]
3529                    context[name].append(limit_lo)
3530                    limit_hi = item[4]
3531                    context[name].append(limit_hi)
3532                except:
3533                    pass
3534
3535                # Polydisp
3536                if len(item) > 5:
3537                    value = item[5]
3538                    context[name].append(value)
3539                    try:
3540                        value = item[6]
3541                        context[name].append(value)
3542                        value = item[7]
3543                        context[name].append(value)
3544                    except IndexError:
3545                        pass
3546
3547        if str(self.cbModel.currentText()) != str(context['model_name'][0]):
3548            msg = QtWidgets.QMessageBox()
3549            msg.setIcon(QtWidgets.QMessageBox.Information)
3550            msg.setText("The model in the clipboard is not the same as the currently loaded model. \
3551                         Not all parameters saved may paste correctly.")
3552            msg.setStandardButtons(QtWidgets.QMessageBox.Ok | QtWidgets.QMessageBox.Cancel)
3553            result = msg.exec_()
3554            if result == QtWidgets.QMessageBox.Ok:
3555                pass
3556            else:
3557                return
3558
3559        self.updateFullModel(context)
3560        self.updateFullPolyModel(context)
3561
3562    def updateFullModel(self, param_dict):
3563        """
3564        Update the model with new parameters
3565        """
3566        assert isinstance(param_dict, dict)
3567        if not dict:
3568            return
3569
3570        def updateFittedValues(row):
3571            # Utility function for main model update
3572            # internal so can use closure for param_dict
3573            param_name = str(self._model_model.item(row, 0).text())
3574            if param_name not in list(param_dict.keys()):
3575                return
3576            # checkbox state
3577            param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked
3578            self._model_model.item(row, 0).setCheckState(param_checked)
3579
3580            # modify the param value
3581            param_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
3582            self._model_model.item(row, 1).setText(param_repr)
3583
3584            # Potentially the error column
3585            ioffset = 0
3586            if len(param_dict[param_name])>4 and self.has_error_column:
3587                # error values are not editable - no need to update
3588                #error_repr = GuiUtils.formatNumber(param_dict[param_name][2], high=True)
3589                #self._model_model.item(row, 2).setText(error_repr)
3590                ioffset = 1
3591            # min/max
3592            try:
3593                param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True)
3594                self._model_model.item(row, 2+ioffset).setText(param_repr)
3595                param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True)
3596                self._model_model.item(row, 3+ioffset).setText(param_repr)
3597            except:
3598                pass
3599
3600            self.setFocus()
3601
3602
3603
3604        # block signals temporarily, so we don't end up
3605        # updating charts with every single model change on the end of fitting
3606        self._model_model.blockSignals(True)
3607        self.iterateOverModel(updateFittedValues)
3608        self._model_model.blockSignals(False)
3609
3610
3611    def updateFullPolyModel(self, param_dict):
3612        """
3613        Update the polydispersity model with new parameters, create the errors column
3614        """
3615        assert isinstance(param_dict, dict)
3616        if not dict:
3617            return
3618
3619        def updateFittedValues(row):
3620            # Utility function for main model update
3621            # internal so can use closure for param_dict
3622            if row >= self._poly_model.rowCount():
3623                return
3624            param_name = str(self._poly_model.item(row, 0).text()).rsplit()[-1] + '.width'
3625            if param_name not in list(param_dict.keys()):
3626                return
3627            # checkbox state
3628            param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked
3629            self._poly_model.item(row,0).setCheckState(param_checked)
3630
3631            # modify the param value
3632            param_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
3633            self._poly_model.item(row, 1).setText(param_repr)
3634
3635            # Potentially the error column
3636            ioffset = 0
3637            if len(param_dict[param_name])>4 and self.has_poly_error_column:
3638                ioffset = 1
3639            # min
3640            param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True)
3641            self._poly_model.item(row, 2+ioffset).setText(param_repr)
3642            # max
3643            param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True)
3644            self._poly_model.item(row, 3+ioffset).setText(param_repr)
3645            # Npts
3646            param_repr = GuiUtils.formatNumber(param_dict[param_name][4+ioffset], high=True)
3647            self._poly_model.item(row, 4+ioffset).setText(param_repr)
3648            # Nsigs
3649            param_repr = GuiUtils.formatNumber(param_dict[param_name][5+ioffset], high=True)
3650            self._poly_model.item(row, 5+ioffset).setText(param_repr)
3651
3652            param_repr = GuiUtils.formatNumber(param_dict[param_name][5+ioffset], high=True)
3653            self._poly_model.item(row, 5+ioffset).setText(param_repr)
3654            self.setFocus()
3655
3656        # block signals temporarily, so we don't end up
3657        # updating charts with every single model change on the end of fitting
3658        self._poly_model.blockSignals(True)
3659        self.iterateOverPolyModel(updateFittedValues)
3660        self._poly_model.blockSignals(False)
3661
3662
3663
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