source: sasview/src/sas/qtgui/Perspectives/Fitting/FittingWidget.py @ 30bed93

ESS_GUIESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalc
Last change on this file since 30bed93 was 30bed93, checked in by GitHub <noreply@…>, 13 months ago

Merge pull request #181 from SasView?/ESS_GUI_poly_plot2

plot polydispersity (SASVIEW-1035 and trac ticket 17)

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File size: 135.8 KB
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1import json
2import os
3from collections import defaultdict
4
5import copy
6import logging
7import traceback
8from twisted.internet import threads
9import numpy as np
10import webbrowser
11
12from PyQt5 import QtCore
13from PyQt5 import QtGui
14from PyQt5 import QtWidgets
15
16from sasmodels import generate
17from sasmodels import modelinfo
18from sasmodels.sasview_model import load_standard_models
19from sasmodels.sasview_model import MultiplicationModel
20from sasmodels.weights import MODELS as POLYDISPERSITY_MODELS
21
22from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit
23from sas.sascalc.fit.pagestate import PageState
24
25import sas.qtgui.Utilities.GuiUtils as GuiUtils
26import sas.qtgui.Utilities.LocalConfig as LocalConfig
27from sas.qtgui.Utilities.CategoryInstaller import CategoryInstaller
28from sas.qtgui.Plotting.PlotterData import Data1D
29from sas.qtgui.Plotting.PlotterData import Data2D
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        # Force the chart update when actual parameters changed
2299        if model_column == 1:
2300            self.recalculatePlotData()
2301
2302        # Update state stack
2303        self.updateUndo()
2304
2305    def isCheckable(self, row):
2306        return self._model_model.item(row, 0).isCheckable()
2307
2308    def checkboxSelected(self, item):
2309        # Assure we're dealing with checkboxes
2310        if not item.isCheckable():
2311            return
2312        status = item.checkState()
2313
2314        # If multiple rows selected - toggle all of them, filtering uncheckable
2315        # Switch off signaling from the model to avoid recursion
2316        self._model_model.blockSignals(True)
2317        # Convert to proper indices and set requested enablement
2318        self.setParameterSelection(status)
2319        self._model_model.blockSignals(False)
2320
2321        # update the list of parameters to fit
2322        self.main_params_to_fit = self.checkedListFromModel(self._model_model)
2323
2324    def checkedListFromModel(self, model):
2325        """
2326        Returns list of checked parameters for given model
2327        """
2328        def isChecked(row):
2329            return model.item(row, 0).checkState() == QtCore.Qt.Checked
2330
2331        return [str(model.item(row_index, 0).text())
2332                for row_index in range(model.rowCount())
2333                if isChecked(row_index)]
2334
2335    def createNewIndex(self, fitted_data):
2336        """
2337        Create a model or theory index with passed Data1D/Data2D
2338        """
2339        if self.data_is_loaded:
2340            if not fitted_data.name:
2341                name = self.nameForFittedData(self.data.filename)
2342                fitted_data.title = name
2343                fitted_data.name = name
2344                fitted_data.filename = name
2345                fitted_data.symbol = "Line"
2346            self.updateModelIndex(fitted_data)
2347        else:
2348            if not fitted_data.name:
2349                name = self.nameForFittedData(self.kernel_module.id)
2350            else:
2351                name = fitted_data.name
2352            fitted_data.title = name
2353            fitted_data.filename = name
2354            fitted_data.symbol = "Line"
2355            self.createTheoryIndex(fitted_data)
2356            # Switch to the theory tab for user's glee
2357            self.communicate.changeDataExplorerTabSignal.emit(1)
2358
2359    def updateModelIndex(self, fitted_data):
2360        """
2361        Update a QStandardModelIndex containing model data
2362        """
2363        name = self.nameFromData(fitted_data)
2364        # Make this a line if no other defined
2365        if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None:
2366            fitted_data.symbol = 'Line'
2367        # Notify the GUI manager so it can update the main model in DataExplorer
2368        GuiUtils.updateModelItemWithPlot(self.all_data[self.data_index], fitted_data, name)
2369
2370    def createTheoryIndex(self, fitted_data):
2371        """
2372        Create a QStandardModelIndex containing model data
2373        """
2374        name = self.nameFromData(fitted_data)
2375        # Notify the GUI manager so it can create the theory model in DataExplorer
2376        self.theory_item = GuiUtils.createModelItemWithPlot(fitted_data, name=name)
2377        self.communicate.updateTheoryFromPerspectiveSignal.emit(self.theory_item)
2378
2379    def nameFromData(self, fitted_data):
2380        """
2381        Return name for the dataset. Terribly impure function.
2382        """
2383        if fitted_data.name is None:
2384            name = self.nameForFittedData(self.logic.data.filename)
2385            fitted_data.title = name
2386            fitted_data.name = name
2387            fitted_data.filename = name
2388        else:
2389            name = fitted_data.name
2390        return name
2391
2392    def methodCalculateForData(self):
2393        '''return the method for data calculation'''
2394        return Calc1D if isinstance(self.data, Data1D) else Calc2D
2395
2396    def methodCompleteForData(self):
2397        '''return the method for result parsin on calc complete '''
2398        return self.completed1D if isinstance(self.data, Data1D) else self.completed2D
2399
2400    def updateKernelModelWithExtraParams(self, model=None):
2401        """
2402        Updates kernel model 'model' with extra parameters from
2403        the polydisp and magnetism tab, if the tabs are enabled
2404        """
2405        if model is None: return
2406        if not hasattr(model, 'setParam'): return
2407
2408        # add polydisperse parameters if asked
2409        if self.chkPolydispersity.isChecked() and self._poly_model.rowCount() > 0:
2410            for key, value in self.poly_params.items():
2411                model.setParam(key, value)
2412        # add magnetic params if asked
2413        if self.chkMagnetism.isChecked():
2414            for key, value in self.magnet_params.items() and self._magnet_model.rowCount() > 0:
2415                model.setParam(key, value)
2416
2417    def calculateQGridForModelExt(self, data=None, model=None, completefn=None, use_threads=True):
2418        """
2419        Wrapper for Calc1D/2D calls
2420        """
2421        if data is None:
2422            data = self.data
2423        if model is None:
2424            model = copy.deepcopy(self.kernel_module)
2425            self.updateKernelModelWithExtraParams(model)
2426
2427        if completefn is None:
2428            completefn = self.methodCompleteForData()
2429        smearer = self.smearing_widget.smearer()
2430        weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting)
2431
2432        # Disable buttons/table
2433        self.disableInteractiveElements()
2434        # Awful API to a backend method.
2435        calc_thread = self.methodCalculateForData()(data=data,
2436                                               model=model,
2437                                               page_id=0,
2438                                               qmin=self.q_range_min,
2439                                               qmax=self.q_range_max,
2440                                               smearer=smearer,
2441                                               state=None,
2442                                               weight=weight,
2443                                               fid=None,
2444                                               toggle_mode_on=False,
2445                                               completefn=completefn,
2446                                               update_chisqr=True,
2447                                               exception_handler=self.calcException,
2448                                               source=None)
2449        if use_threads:
2450            if LocalConfig.USING_TWISTED:
2451                # start the thread with twisted
2452                thread = threads.deferToThread(calc_thread.compute)
2453                thread.addCallback(completefn)
2454                thread.addErrback(self.calculateDataFailed)
2455            else:
2456                # Use the old python threads + Queue
2457                calc_thread.queue()
2458                calc_thread.ready(2.5)
2459        else:
2460            results = calc_thread.compute()
2461            completefn(results)
2462
2463    def calculateQGridForModel(self):
2464        """
2465        Prepare the fitting data object, based on current ModelModel
2466        """
2467        if self.kernel_module is None:
2468            return
2469        self.calculateQGridForModelExt()
2470
2471    def calculateDataFailed(self, reason):
2472        """
2473        Thread returned error
2474        """
2475        # Bring the GUI to normal state
2476        self.enableInteractiveElements()
2477        print("Calculate Data failed with ", reason)
2478
2479    def completed1D(self, return_data):
2480        self.Calc1DFinishedSignal.emit(return_data)
2481
2482    def completed2D(self, return_data):
2483        self.Calc2DFinishedSignal.emit(return_data)
2484
2485    def complete1D(self, return_data):
2486        """
2487        Plot the current 1D data
2488        """
2489        # Bring the GUI to normal state
2490        self.enableInteractiveElements()
2491        if return_data is None:
2492            self.calculateDataFailed("Results not available.")
2493            return
2494        fitted_data = self.logic.new1DPlot(return_data, self.tab_id)
2495
2496        residuals = self.calculateResiduals(fitted_data)
2497        self.model_data = fitted_data
2498        new_plots = [fitted_data]
2499        if residuals is not None:
2500            new_plots.append(residuals)
2501
2502        if self.data_is_loaded:
2503            # delete any plots associated with the data that were not updated
2504            # (e.g. to remove beta(Q), S_eff(Q))
2505            GuiUtils.deleteRedundantPlots(self.all_data[self.data_index], new_plots)
2506            pass
2507        else:
2508            # delete theory items for the model, in order to get rid of any
2509            # redundant items, e.g. beta(Q), S_eff(Q)
2510            self.communicate.deleteIntermediateTheoryPlotsSignal.emit(self.kernel_module.id)
2511
2512        # Create plots for parameters with enabled polydispersity
2513        for plot in FittingUtilities.plotPolydispersities(return_data.get('model', None)):
2514            data_id = fitted_data.id.split()
2515            plot.id = "{} [{}] {}".format(data_id[0], plot.name, " ".join(data_id[1:]))
2516            data_name = fitted_data.name.split()
2517            plot.name = " ".join([data_name[0], plot.name] + data_name[1:])
2518            self.createNewIndex(plot)
2519            new_plots.append(plot)
2520
2521        # Create plots for intermediate product data
2522        plots = self.logic.new1DProductPlots(return_data, self.tab_id)
2523        for plot in plots:
2524            plot.symbol = "Line"
2525            self.createNewIndex(plot)
2526            new_plots.append(plot)
2527
2528        for plot in new_plots:
2529            self.communicate.plotUpdateSignal.emit([plot])
2530
2531    def complete2D(self, return_data):
2532        """
2533        Plot the current 2D data
2534        """
2535        # Bring the GUI to normal state
2536        self.enableInteractiveElements()
2537
2538        fitted_data = self.logic.new2DPlot(return_data)
2539        residuals = self.calculateResiduals(fitted_data)
2540        self.model_data = fitted_data
2541        new_plots = [fitted_data]
2542        if residuals is not None:
2543            new_plots.append(residuals)
2544
2545        # Update/generate plots
2546        for plot in new_plots:
2547            self.communicate.plotUpdateSignal.emit([plot])
2548
2549    def calculateResiduals(self, fitted_data):
2550        """
2551        Calculate and print Chi2 and display chart of residuals. Returns residuals plot object.
2552        """
2553        # Create a new index for holding data
2554        fitted_data.symbol = "Line"
2555
2556        # Modify fitted_data with weighting
2557        weighted_data = self.addWeightingToData(fitted_data)
2558
2559        self.createNewIndex(weighted_data)
2560        # Calculate difference between return_data and logic.data
2561        self.chi2 = FittingUtilities.calculateChi2(weighted_data, self.logic.data)
2562        # Update the control
2563        chi2_repr = "---" if self.chi2 is None else GuiUtils.formatNumber(self.chi2, high=True)
2564        self.lblChi2Value.setText(chi2_repr)
2565
2566        # Plot residuals if actual data
2567        if not self.data_is_loaded:
2568            return
2569
2570        residuals_plot = FittingUtilities.plotResiduals(self.data, weighted_data)
2571        residuals_plot.id = "Residual " + residuals_plot.id
2572        residuals_plot.plot_role = Data1D.ROLE_RESIDUAL
2573        self.createNewIndex(residuals_plot)
2574        return residuals_plot
2575
2576    def onCategoriesChanged(self):
2577            """
2578            Reload the category/model comboboxes
2579            """
2580            # Store the current combo indices
2581            current_cat = self.cbCategory.currentText()
2582            current_model = self.cbModel.currentText()
2583
2584            # reread the category file and repopulate the combo
2585            self.cbCategory.blockSignals(True)
2586            self.cbCategory.clear()
2587            self.readCategoryInfo()
2588            self.initializeCategoryCombo()
2589
2590            # Scroll back to the original index in Categories
2591            new_index = self.cbCategory.findText(current_cat)
2592            if new_index != -1:
2593                self.cbCategory.setCurrentIndex(new_index)
2594            self.cbCategory.blockSignals(False)
2595            # ...and in the Models
2596            self.cbModel.blockSignals(True)
2597            new_index = self.cbModel.findText(current_model)
2598            if new_index != -1:
2599                self.cbModel.setCurrentIndex(new_index)
2600            self.cbModel.blockSignals(False)
2601
2602            return
2603
2604    def calcException(self, etype, value, tb):
2605        """
2606        Thread threw an exception.
2607        """
2608        # Bring the GUI to normal state
2609        self.enableInteractiveElements()
2610        # TODO: remimplement thread cancellation
2611        logger.error("".join(traceback.format_exception(etype, value, tb)))
2612
2613    def setTableProperties(self, table):
2614        """
2615        Setting table properties
2616        """
2617        # Table properties
2618        table.verticalHeader().setVisible(False)
2619        table.setAlternatingRowColors(True)
2620        table.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
2621        table.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows)
2622        table.resizeColumnsToContents()
2623
2624        # Header
2625        header = table.horizontalHeader()
2626        header.setSectionResizeMode(QtWidgets.QHeaderView.ResizeToContents)
2627        header.ResizeMode(QtWidgets.QHeaderView.Interactive)
2628
2629        # Qt5: the following 2 lines crash - figure out why!
2630        # Resize column 0 and 7 to content
2631        #header.setSectionResizeMode(0, QtWidgets.QHeaderView.ResizeToContents)
2632        #header.setSectionResizeMode(7, QtWidgets.QHeaderView.ResizeToContents)
2633
2634    def setPolyModel(self):
2635        """
2636        Set polydispersity values
2637        """
2638        if not self.model_parameters:
2639            return
2640        self._poly_model.clear()
2641
2642        parameters = self.model_parameters.form_volume_parameters
2643        if self.is2D:
2644            parameters += self.model_parameters.orientation_parameters
2645
2646        [self.setPolyModelParameters(i, param) for i, param in \
2647            enumerate(parameters) if param.polydisperse]
2648
2649        FittingUtilities.addPolyHeadersToModel(self._poly_model)
2650
2651    def setPolyModelParameters(self, i, param):
2652        """
2653        Standard of multishell poly parameter driver
2654        """
2655        param_name = param.name
2656        # see it the parameter is multishell
2657        if '[' in param.name:
2658            # Skip empty shells
2659            if self.current_shell_displayed == 0:
2660                return
2661            else:
2662                # Create as many entries as current shells
2663                for ishell in range(1, self.current_shell_displayed+1):
2664                    # Remove [n] and add the shell numeral
2665                    name = param_name[0:param_name.index('[')] + str(ishell)
2666                    self.addNameToPolyModel(i, name)
2667        else:
2668            # Just create a simple param entry
2669            self.addNameToPolyModel(i, param_name)
2670
2671    def addNameToPolyModel(self, i, param_name):
2672        """
2673        Creates a checked row in the poly model with param_name
2674        """
2675        # Polydisp. values from the sasmodel
2676        width = self.kernel_module.getParam(param_name + '.width')
2677        npts = self.kernel_module.getParam(param_name + '.npts')
2678        nsigs = self.kernel_module.getParam(param_name + '.nsigmas')
2679        _, min, max = self.kernel_module.details[param_name]
2680
2681        # Update local param dict
2682        self.poly_params[param_name + '.width'] = width
2683        self.poly_params[param_name + '.npts'] = npts
2684        self.poly_params[param_name + '.nsigmas'] = nsigs
2685
2686        # Construct a row with polydisp. related variable.
2687        # This will get added to the polydisp. model
2688        # Note: last argument needs extra space padding for decent display of the control
2689        checked_list = ["Distribution of " + param_name, str(width),
2690                        str(min), str(max),
2691                        str(npts), str(nsigs), "gaussian      ",'']
2692        FittingUtilities.addCheckedListToModel(self._poly_model, checked_list)
2693
2694        # All possible polydisp. functions as strings in combobox
2695        func = QtWidgets.QComboBox()
2696        func.addItems([str(name_disp) for name_disp in POLYDISPERSITY_MODELS.keys()])
2697        # Set the default index
2698        func.setCurrentIndex(func.findText(DEFAULT_POLYDISP_FUNCTION))
2699        ind = self._poly_model.index(i,self.lstPoly.itemDelegate().poly_function)
2700        self.lstPoly.setIndexWidget(ind, func)
2701        func.currentIndexChanged.connect(lambda: self.onPolyComboIndexChange(str(func.currentText()), i))
2702
2703    def onPolyFilenameChange(self, row_index):
2704        """
2705        Respond to filename_updated signal from the delegate
2706        """
2707        # For the given row, invoke the "array" combo handler
2708        array_caption = 'array'
2709
2710        # Get the combo box reference
2711        ind = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
2712        widget = self.lstPoly.indexWidget(ind)
2713
2714        # Update the combo box so it displays "array"
2715        widget.blockSignals(True)
2716        widget.setCurrentIndex(self.lstPoly.itemDelegate().POLYDISPERSE_FUNCTIONS.index(array_caption))
2717        widget.blockSignals(False)
2718
2719        # Invoke the file reader
2720        self.onPolyComboIndexChange(array_caption, row_index)
2721
2722    def onPolyComboIndexChange(self, combo_string, row_index):
2723        """
2724        Modify polydisp. defaults on function choice
2725        """
2726        # Get npts/nsigs for current selection
2727        param = self.model_parameters.form_volume_parameters[row_index]
2728        file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
2729        combo_box = self.lstPoly.indexWidget(file_index)
2730
2731        def updateFunctionCaption(row):
2732            # Utility function for update of polydispersity function name in the main model
2733            if not self.isCheckable(row):
2734                return
2735            self._model_model.blockSignals(True)
2736            param_name = str(self._model_model.item(row, 0).text())
2737            self._model_model.blockSignals(False)
2738            if param_name !=  param.name:
2739                return
2740            # Modify the param value
2741            self._model_model.blockSignals(True)
2742            if self.has_error_column:
2743                # err column changes the indexing
2744                self._model_model.item(row, 0).child(0).child(0,5).setText(combo_string)
2745            else:
2746                self._model_model.item(row, 0).child(0).child(0,4).setText(combo_string)
2747            self._model_model.blockSignals(False)
2748
2749        if combo_string == 'array':
2750            try:
2751                self.loadPolydispArray(row_index)
2752                # Update main model for display
2753                self.iterateOverModel(updateFunctionCaption)
2754                # disable the row
2755                lo = self.lstPoly.itemDelegate().poly_pd
2756                hi = self.lstPoly.itemDelegate().poly_function
2757                [self._poly_model.item(row_index, i).setEnabled(False) for i in range(lo, hi)]
2758                return
2759            except IOError:
2760                combo_box.setCurrentIndex(self.orig_poly_index)
2761                # Pass for cancel/bad read
2762                pass
2763
2764        # Enable the row in case it was disabled by Array
2765        self._poly_model.blockSignals(True)
2766        max_range = self.lstPoly.itemDelegate().poly_filename
2767        [self._poly_model.item(row_index, i).setEnabled(True) for i in range(7)]
2768        file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
2769        self._poly_model.setData(file_index, "")
2770        self._poly_model.blockSignals(False)
2771
2772        npts_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_npts)
2773        nsigs_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_nsigs)
2774
2775        npts = POLYDISPERSITY_MODELS[str(combo_string)].default['npts']
2776        nsigs = POLYDISPERSITY_MODELS[str(combo_string)].default['nsigmas']
2777
2778        self._poly_model.setData(npts_index, npts)
2779        self._poly_model.setData(nsigs_index, nsigs)
2780
2781        self.iterateOverModel(updateFunctionCaption)
2782        self.orig_poly_index = combo_box.currentIndex()
2783
2784    def loadPolydispArray(self, row_index):
2785        """
2786        Show the load file dialog and loads requested data into state
2787        """
2788        datafile = QtWidgets.QFileDialog.getOpenFileName(
2789            self, "Choose a weight file", "", "All files (*.*)", None,
2790            QtWidgets.QFileDialog.DontUseNativeDialog)[0]
2791
2792        if not datafile:
2793            logger.info("No weight data chosen.")
2794            raise IOError
2795
2796        values = []
2797        weights = []
2798        def appendData(data_tuple):
2799            """
2800            Fish out floats from a tuple of strings
2801            """
2802            try:
2803                values.append(float(data_tuple[0]))
2804                weights.append(float(data_tuple[1]))
2805            except (ValueError, IndexError):
2806                # just pass through if line with bad data
2807                return
2808
2809        with open(datafile, 'r') as column_file:
2810            column_data = [line.rstrip().split() for line in column_file.readlines()]
2811            [appendData(line) for line in column_data]
2812
2813        # If everything went well - update the sasmodel values
2814        self.disp_model = POLYDISPERSITY_MODELS['array']()
2815        self.disp_model.set_weights(np.array(values), np.array(weights))
2816        # + update the cell with filename
2817        fname = os.path.basename(str(datafile))
2818        fname_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
2819        self._poly_model.setData(fname_index, fname)
2820
2821    def onColumnWidthUpdate(self, index, old_size, new_size):
2822        """
2823        Simple state update of the current column widths in the  param list
2824        """
2825        self.lstParamHeaderSizes[index] = new_size
2826
2827    def setMagneticModel(self):
2828        """
2829        Set magnetism values on model
2830        """
2831        if not self.model_parameters:
2832            return
2833        self._magnet_model.clear()
2834        [self.addCheckedMagneticListToModel(param, self._magnet_model) for param in \
2835            self.model_parameters.call_parameters if param.type == 'magnetic']
2836        FittingUtilities.addHeadersToModel(self._magnet_model)
2837
2838    def shellNamesList(self):
2839        """
2840        Returns list of names of all multi-shell parameters
2841        E.g. for sld[n], radius[n], n=1..3 it will return
2842        [sld1, sld2, sld3, radius1, radius2, radius3]
2843        """
2844        multi_names = [p.name[:p.name.index('[')] for p in self.model_parameters.iq_parameters if '[' in p.name]
2845        top_index = self.kernel_module.multiplicity_info.number
2846        shell_names = []
2847        for i in range(1, top_index+1):
2848            for name in multi_names:
2849                shell_names.append(name+str(i))
2850        return shell_names
2851
2852    def addCheckedMagneticListToModel(self, param, model):
2853        """
2854        Wrapper for model update with a subset of magnetic parameters
2855        """
2856        if param.name[param.name.index(':')+1:] in self.shell_names:
2857            # check if two-digit shell number
2858            try:
2859                shell_index = int(param.name[-2:])
2860            except ValueError:
2861                shell_index = int(param.name[-1:])
2862
2863            if shell_index > self.current_shell_displayed:
2864                return
2865
2866        checked_list = [param.name,
2867                        str(param.default),
2868                        str(param.limits[0]),
2869                        str(param.limits[1]),
2870                        param.units]
2871
2872        self.magnet_params[param.name] = param.default
2873
2874        FittingUtilities.addCheckedListToModel(model, checked_list)
2875
2876    def enableStructureFactorControl(self, structure_factor):
2877        """
2878        Add structure factors to the list of parameters
2879        """
2880        if self.kernel_module.is_form_factor or structure_factor == 'None':
2881            self.enableStructureCombo()
2882        else:
2883            self.disableStructureCombo()
2884
2885    def addExtraShells(self):
2886        """
2887        Add a combobox for multiple shell display
2888        """
2889        param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters)
2890
2891        if param_length == 0:
2892            return
2893
2894        # cell 1: variable name
2895        item1 = QtGui.QStandardItem(param_name)
2896
2897        func = QtWidgets.QComboBox()
2898
2899        # cell 2: combobox
2900        item2 = QtGui.QStandardItem()
2901
2902        # cell 3: min value
2903        item3 = QtGui.QStandardItem()
2904
2905        # cell 4: max value
2906        item4 = QtGui.QStandardItem()
2907
2908        # cell 4: SLD button
2909        item5 = QtGui.QStandardItem()
2910        button = QtWidgets.QPushButton()
2911        button.setText("Show SLD Profile")
2912
2913        self._model_model.appendRow([item1, item2, item3, item4, item5])
2914
2915        # Beautify the row:  span columns 2-4
2916        shell_row = self._model_model.rowCount()
2917        shell_index = self._model_model.index(shell_row-1, 1)
2918        button_index = self._model_model.index(shell_row-1, 4)
2919
2920        self.lstParams.setIndexWidget(shell_index, func)
2921        self.lstParams.setIndexWidget(button_index, button)
2922        self._n_shells_row = shell_row - 1
2923
2924        # Get the default number of shells for the model
2925        kernel_pars = self.kernel_module._model_info.parameters.kernel_parameters
2926        shell_par = None
2927        for par in kernel_pars:
2928            if par.name == param_name:
2929                shell_par = par
2930                break
2931        if not shell_par:
2932            logger.error("Could not find %s in kernel parameters.", param_name)
2933        default_shell_count = shell_par.default
2934        shell_min = 0
2935        shell_max = 0
2936        try:
2937            shell_min = int(shell_par.limits[0])
2938            shell_max = int(shell_par.limits[1])
2939        except IndexError as ex:
2940            # no info about limits
2941            pass
2942        item3.setText(str(shell_min))
2943        item4.setText(str(shell_max))
2944
2945        # Respond to index change
2946        func.currentTextChanged.connect(self.modifyShellsInList)
2947
2948        # Respond to button press
2949        button.clicked.connect(self.onShowSLDProfile)
2950
2951        # Available range of shells displayed in the combobox
2952        func.addItems([str(i) for i in range(shell_min, shell_max+1)])
2953
2954        # Add default number of shells to the model
2955        func.setCurrentText(str(default_shell_count))
2956
2957    def modifyShellsInList(self, text):
2958        """
2959        Add/remove additional multishell parameters
2960        """
2961        # Find row location of the combobox
2962        first_row = self._n_shells_row + 1
2963        remove_rows = self._num_shell_params
2964        try:
2965            index = int(text)
2966        except ValueError:
2967            # bad text on the control!
2968            index = 0
2969            logger.error("Multiplicity incorrect! Setting to 0")
2970        self.kernel_module.multiplicity = index
2971        if remove_rows > 1:
2972            self._model_model.removeRows(first_row, remove_rows)
2973
2974        new_rows = FittingUtilities.addShellsToModel(
2975                self.model_parameters,
2976                self._model_model,
2977                index,
2978                first_row,
2979                self.lstParams)
2980
2981        self._num_shell_params = len(new_rows)
2982        self.current_shell_displayed = index
2983
2984        # Param values for existing shells were reset to default; force all changes into kernel module
2985        for row in new_rows:
2986            par = row[0].text()
2987            val = GuiUtils.toDouble(row[1].text())
2988            self.kernel_module.setParam(par, val)
2989
2990        # Change 'n' in the parameter model; also causes recalculation
2991        self._model_model.item(self._n_shells_row, 1).setText(str(index))
2992
2993        # Update relevant models
2994        self.setPolyModel()
2995        self.setMagneticModel()
2996
2997    def onShowSLDProfile(self):
2998        """
2999        Show a quick plot of SLD profile
3000        """
3001        # get profile data
3002        x, y = self.kernel_module.getProfile()
3003        y *= 1.0e6
3004        profile_data = Data1D(x=x, y=y)
3005        profile_data.name = "SLD"
3006        profile_data.scale = 'linear'
3007        profile_data.symbol = 'Line'
3008        profile_data.hide_error = True
3009        profile_data._xaxis = "R(\AA)"
3010        profile_data._yaxis = "SLD(10^{-6}\AA^{-2})"
3011
3012        plotter = PlotterWidget(self, quickplot=True)
3013        plotter.data = profile_data
3014        plotter.showLegend = True
3015        plotter.plot(hide_error=True, marker='-')
3016
3017        self.plot_widget = QtWidgets.QWidget()
3018        self.plot_widget.setWindowTitle("Scattering Length Density Profile")
3019        layout = QtWidgets.QVBoxLayout()
3020        layout.addWidget(plotter)
3021        self.plot_widget.setLayout(layout)
3022        self.plot_widget.show()
3023
3024    def setInteractiveElements(self, enabled=True):
3025        """
3026        Switch interactive GUI elements on/off
3027        """
3028        assert isinstance(enabled, bool)
3029
3030        self.lstParams.setEnabled(enabled)
3031        self.lstPoly.setEnabled(enabled)
3032        self.lstMagnetic.setEnabled(enabled)
3033
3034        self.cbCategory.setEnabled(enabled)
3035        self.cbModel.setEnabled(enabled)
3036        self.cbStructureFactor.setEnabled(enabled)
3037
3038        self.chkPolydispersity.setEnabled(enabled)
3039        self.chkMagnetism.setEnabled(enabled)
3040        self.chk2DView.setEnabled(enabled)
3041
3042    def enableInteractiveElements(self):
3043        """
3044        Set buttion caption on fitting/calculate finish
3045        Enable the param table(s)
3046        """
3047        # Notify the user that fitting is available
3048        self.cmdFit.setStyleSheet('QPushButton {color: black;}')
3049        self.cmdFit.setText("Fit")
3050        self.fit_started = False
3051        self.setInteractiveElements(True)
3052
3053    def disableInteractiveElements(self):
3054        """
3055        Set buttion caption on fitting/calculate start
3056        Disable the param table(s)
3057        """
3058        # Notify the user that fitting is being run
3059        # Allow for stopping the job
3060        self.cmdFit.setStyleSheet('QPushButton {color: red;}')
3061        self.cmdFit.setText('Stop fit')
3062        self.setInteractiveElements(False)
3063
3064    def readFitPage(self, fp):
3065        """
3066        Read in state from a fitpage object and update GUI
3067        """
3068        assert isinstance(fp, FitPage)
3069        # Main tab info
3070        self.logic.data.filename = fp.filename
3071        self.data_is_loaded = fp.data_is_loaded
3072        self.chkPolydispersity.setCheckState(fp.is_polydisperse)
3073        self.chkMagnetism.setCheckState(fp.is_magnetic)
3074        self.chk2DView.setCheckState(fp.is2D)
3075
3076        # Update the comboboxes
3077        self.cbCategory.setCurrentIndex(self.cbCategory.findText(fp.current_category))
3078        self.cbModel.setCurrentIndex(self.cbModel.findText(fp.current_model))
3079        if fp.current_factor:
3080            self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(fp.current_factor))
3081
3082        self.chi2 = fp.chi2
3083
3084        # Options tab
3085        self.q_range_min = fp.fit_options[fp.MIN_RANGE]
3086        self.q_range_max = fp.fit_options[fp.MAX_RANGE]
3087        self.npts = fp.fit_options[fp.NPTS]
3088        self.log_points = fp.fit_options[fp.LOG_POINTS]
3089        self.weighting = fp.fit_options[fp.WEIGHTING]
3090
3091        # Models
3092        self._model_model = fp.model_model
3093        self._poly_model = fp.poly_model
3094        self._magnet_model = fp.magnetism_model
3095
3096        # Resolution tab
3097        smearing = fp.smearing_options[fp.SMEARING_OPTION]
3098        accuracy = fp.smearing_options[fp.SMEARING_ACCURACY]
3099        smearing_min = fp.smearing_options[fp.SMEARING_MIN]
3100        smearing_max = fp.smearing_options[fp.SMEARING_MAX]
3101        self.smearing_widget.setState(smearing, accuracy, smearing_min, smearing_max)
3102
3103        # TODO: add polidyspersity and magnetism
3104
3105    def saveToFitPage(self, fp):
3106        """
3107        Write current state to the given fitpage
3108        """
3109        assert isinstance(fp, FitPage)
3110
3111        # Main tab info
3112        fp.filename = self.logic.data.filename
3113        fp.data_is_loaded = self.data_is_loaded
3114        fp.is_polydisperse = self.chkPolydispersity.isChecked()
3115        fp.is_magnetic = self.chkMagnetism.isChecked()
3116        fp.is2D = self.chk2DView.isChecked()
3117        fp.data = self.data
3118
3119        # Use current models - they contain all the required parameters
3120        fp.model_model = self._model_model
3121        fp.poly_model = self._poly_model
3122        fp.magnetism_model = self._magnet_model
3123
3124        if self.cbCategory.currentIndex() != 0:
3125            fp.current_category = str(self.cbCategory.currentText())
3126            fp.current_model = str(self.cbModel.currentText())
3127
3128        if self.cbStructureFactor.isEnabled() and self.cbStructureFactor.currentIndex() != 0:
3129            fp.current_factor = str(self.cbStructureFactor.currentText())
3130        else:
3131            fp.current_factor = ''
3132
3133        fp.chi2 = self.chi2
3134        fp.main_params_to_fit = self.main_params_to_fit
3135        fp.poly_params_to_fit = self.poly_params_to_fit
3136        fp.magnet_params_to_fit = self.magnet_params_to_fit
3137        fp.kernel_module = self.kernel_module
3138
3139        # Algorithm options
3140        # fp.algorithm = self.parent.fit_options.selected_id
3141
3142        # Options tab
3143        fp.fit_options[fp.MIN_RANGE] = self.q_range_min
3144        fp.fit_options[fp.MAX_RANGE] = self.q_range_max
3145        fp.fit_options[fp.NPTS] = self.npts
3146        #fp.fit_options[fp.NPTS_FIT] = self.npts_fit
3147        fp.fit_options[fp.LOG_POINTS] = self.log_points
3148        fp.fit_options[fp.WEIGHTING] = self.weighting
3149
3150        # Resolution tab
3151        smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state()
3152        fp.smearing_options[fp.SMEARING_OPTION] = smearing
3153        fp.smearing_options[fp.SMEARING_ACCURACY] = accuracy
3154        fp.smearing_options[fp.SMEARING_MIN] = smearing_min
3155        fp.smearing_options[fp.SMEARING_MAX] = smearing_max
3156
3157        # TODO: add polidyspersity and magnetism
3158
3159    def updateUndo(self):
3160        """
3161        Create a new state page and add it to the stack
3162        """
3163        if self.undo_supported:
3164            self.pushFitPage(self.currentState())
3165
3166    def currentState(self):
3167        """
3168        Return fit page with current state
3169        """
3170        new_page = FitPage()
3171        self.saveToFitPage(new_page)
3172
3173        return new_page
3174
3175    def pushFitPage(self, new_page):
3176        """
3177        Add a new fit page object with current state
3178        """
3179        self.page_stack.append(new_page)
3180
3181    def popFitPage(self):
3182        """
3183        Remove top fit page from stack
3184        """
3185        if self.page_stack:
3186            self.page_stack.pop()
3187
3188    def getReport(self):
3189        """
3190        Create and return HTML report with parameters and charts
3191        """
3192        index = None
3193        if self.all_data:
3194            index = self.all_data[self.data_index]
3195        else:
3196            index = self.theory_item
3197        report_logic = ReportPageLogic(self,
3198                                       kernel_module=self.kernel_module,
3199                                       data=self.data,
3200                                       index=index,
3201                                       model=self._model_model)
3202
3203        return report_logic.reportList()
3204
3205    def savePageState(self):
3206        """
3207        Create and serialize local PageState
3208        """
3209        from sas.sascalc.fit.pagestate import Reader
3210        model = self.kernel_module
3211
3212        # Old style PageState object
3213        state = PageState(model=model, data=self.data)
3214
3215        # Add parameter data to the state
3216        self.getCurrentFitState(state)
3217
3218        # Create the filewriter, aptly named 'Reader'
3219        state_reader = Reader(self.loadPageStateCallback)
3220        filepath = self.saveAsAnalysisFile()
3221        if filepath is None or filepath == "":
3222            return
3223        state_reader.write(filename=filepath, fitstate=state)
3224        pass
3225
3226    def saveAsAnalysisFile(self):
3227        """
3228        Show the save as... dialog and return the chosen filepath
3229        """
3230        default_name = "FitPage"+str(self.tab_id)+".fitv"
3231
3232        wildcard = "fitv files (*.fitv)"
3233        kwargs = {
3234            'caption'   : 'Save As',
3235            'directory' : default_name,
3236            'filter'    : wildcard,
3237            'parent'    : None,
3238        }
3239        # Query user for filename.
3240        filename_tuple = QtWidgets.QFileDialog.getSaveFileName(**kwargs)
3241        filename = filename_tuple[0]
3242        return filename
3243
3244    def loadPageStateCallback(self,state=None, datainfo=None, format=None):
3245        """
3246        This is a callback method called from the CANSAS reader.
3247        We need the instance of this reader only for writing out a file,
3248        so there's nothing here.
3249        Until Load Analysis is implemented, that is.
3250        """
3251        pass
3252
3253    def loadPageState(self, pagestate=None):
3254        """
3255        Load the PageState object and update the current widget
3256        """
3257        pass
3258
3259    def getCurrentFitState(self, state=None):
3260        """
3261        Store current state for fit_page
3262        """
3263        # save model option
3264        #if self.model is not None:
3265        #    self.disp_list = self.getDispParamList()
3266        #    state.disp_list = copy.deepcopy(self.disp_list)
3267        #    #state.model = self.model.clone()
3268
3269        # Comboboxes
3270        state.categorycombobox = self.cbCategory.currentText()
3271        state.formfactorcombobox = self.cbModel.currentText()
3272        if self.cbStructureFactor.isEnabled():
3273            state.structurecombobox = self.cbStructureFactor.currentText()
3274        state.tcChi = self.chi2
3275
3276        state.enable2D = self.is2D
3277
3278        #state.weights = copy.deepcopy(self.weights)
3279        # save data
3280        state.data = copy.deepcopy(self.data)
3281
3282        # save plotting range
3283        state.qmin = self.q_range_min
3284        state.qmax = self.q_range_max
3285        state.npts = self.npts
3286
3287        #    self.state.enable_disp = self.enable_disp.GetValue()
3288        #    self.state.disable_disp = self.disable_disp.GetValue()
3289
3290        #    self.state.enable_smearer = \
3291        #                        copy.deepcopy(self.enable_smearer.GetValue())
3292        #    self.state.disable_smearer = \
3293        #                        copy.deepcopy(self.disable_smearer.GetValue())
3294
3295        #self.state.pinhole_smearer = \
3296        #                        copy.deepcopy(self.pinhole_smearer.GetValue())
3297        #self.state.slit_smearer = copy.deepcopy(self.slit_smearer.GetValue())
3298        #self.state.dI_noweight = copy.deepcopy(self.dI_noweight.GetValue())
3299        #self.state.dI_didata = copy.deepcopy(self.dI_didata.GetValue())
3300        #self.state.dI_sqrdata = copy.deepcopy(self.dI_sqrdata.GetValue())
3301        #self.state.dI_idata = copy.deepcopy(self.dI_idata.GetValue())
3302
3303        p = self.model_parameters
3304        # save checkbutton state and txtcrtl values
3305        state.parameters = FittingUtilities.getStandardParam(self._model_model)
3306        state.orientation_params_disp = FittingUtilities.getOrientationParam(self.kernel_module)
3307
3308        #self._copy_parameters_state(self.orientation_params_disp, self.state.orientation_params_disp)
3309        #self._copy_parameters_state(self.parameters, self.state.parameters)
3310        #self._copy_parameters_state(self.fittable_param, self.state.fittable_param)
3311        #self._copy_parameters_state(self.fixed_param, self.state.fixed_param)
3312
3313    def onParameterCopy(self, format=None):
3314        """
3315        Copy current parameters into the clipboard
3316        """
3317        # run a loop over all parameters and pull out
3318        # first - regular params
3319        param_list = []
3320
3321        param_list.append(['model_name', str(self.cbModel.currentText())])
3322        def gatherParams(row):
3323            """
3324            Create list of main parameters based on _model_model
3325            """
3326            param_name = str(self._model_model.item(row, 0).text())
3327            param_checked = str(self._model_model.item(row, 0).checkState() == QtCore.Qt.Checked)
3328            param_value = str(self._model_model.item(row, 1).text())
3329            param_error = None
3330            param_min = None
3331            param_max = None
3332            column_offset = 0
3333            if self.has_error_column:
3334                param_error = str(self._model_model.item(row, 2).text())
3335                column_offset = 1
3336
3337            try:
3338                param_min = str(self._model_model.item(row, 2+column_offset).text())
3339                param_max = str(self._model_model.item(row, 3+column_offset).text())
3340            except:
3341                pass
3342
3343            param_list.append([param_name, param_checked, param_value, param_error, param_min, param_max])
3344
3345        def gatherPolyParams(row):
3346            """
3347            Create list of polydisperse parameters based on _poly_model
3348            """
3349            param_name = str(self._poly_model.item(row, 0).text()).split()[-1]
3350            param_checked = str(self._poly_model.item(row, 0).checkState() == QtCore.Qt.Checked)
3351            param_value = str(self._poly_model.item(row, 1).text())
3352            param_error = None
3353            column_offset = 0
3354            if self.has_poly_error_column:
3355                param_error = str(self._poly_model.item(row, 2).text())
3356                column_offset = 1
3357            param_min   = str(self._poly_model.item(row, 2+column_offset).text())
3358            param_max   = str(self._poly_model.item(row, 3+column_offset).text())
3359            param_npts  = str(self._poly_model.item(row, 4+column_offset).text())
3360            param_nsigs = str(self._poly_model.item(row, 5+column_offset).text())
3361            param_fun   = str(self._poly_model.item(row, 6+column_offset).text()).rstrip()
3362            # width
3363            name = param_name+".width"
3364            param_list.append([name, param_checked, param_value, param_error,
3365                                param_npts, param_nsigs, param_min, param_max, param_fun])
3366
3367        def gatherMagnetParams(row):
3368            """
3369            Create list of magnetic parameters based on _magnet_model
3370            """
3371            param_name = str(self._magnet_model.item(row, 0).text())
3372            param_checked = str(self._magnet_model.item(row, 0).checkState() == QtCore.Qt.Checked)
3373            param_value = str(self._magnet_model.item(row, 1).text())
3374            param_error = None
3375            column_offset = 0
3376            if self.has_magnet_error_column:
3377                param_error = str(self._magnet_model.item(row, 2).text())
3378                column_offset = 1
3379            param_min = str(self._magnet_model.item(row, 2+column_offset).text())
3380            param_max = str(self._magnet_model.item(row, 3+column_offset).text())
3381            param_list.append([param_name, param_checked, param_value, param_error, param_min, param_max])
3382
3383        self.iterateOverModel(gatherParams)
3384        if self.chkPolydispersity.isChecked():
3385            self.iterateOverPolyModel(gatherPolyParams)
3386        if self.chkMagnetism.isChecked() and self.chkMagnetism.isEnabled():
3387            self.iterateOverMagnetModel(gatherMagnetParams)
3388
3389        if format=="":
3390            formatted_output = FittingUtilities.formatParameters(param_list)
3391        elif format == "Excel":
3392            formatted_output = FittingUtilities.formatParametersExcel(param_list[1:])
3393        elif format == "Latex":
3394            formatted_output = FittingUtilities.formatParametersLatex(param_list[1:])
3395        else:
3396            raise AttributeError("Bad format specifier.")
3397
3398        # Dump formatted_output to the clipboard
3399        cb = QtWidgets.QApplication.clipboard()
3400        cb.setText(formatted_output)
3401
3402    def onParameterPaste(self):
3403        """
3404        Use the clipboard to update fit state
3405        """
3406        # Check if the clipboard contains right stuff
3407        cb = QtWidgets.QApplication.clipboard()
3408        cb_text = cb.text()
3409
3410        context = {}
3411        # put the text into dictionary
3412        lines = cb_text.split(':')
3413        if lines[0] != 'sasview_parameter_values':
3414            return False
3415
3416        model = lines[1].split(',')
3417
3418        if model[0] != 'model_name':
3419            return False
3420
3421        context['model_name'] = [model[1]]
3422        for line in lines[2:-1]:
3423            if len(line) != 0:
3424                item = line.split(',')
3425                check = item[1]
3426                name = item[0]
3427                value = item[2]
3428                # Transfer the text to content[dictionary]
3429                context[name] = [check, value]
3430
3431                # limits
3432                try:
3433                    limit_lo = item[3]
3434                    context[name].append(limit_lo)
3435                    limit_hi = item[4]
3436                    context[name].append(limit_hi)
3437                except:
3438                    pass
3439
3440                # Polydisp
3441                if len(item) > 5:
3442                    value = item[5]
3443                    context[name].append(value)
3444                    try:
3445                        value = item[6]
3446                        context[name].append(value)
3447                        value = item[7]
3448                        context[name].append(value)
3449                    except IndexError:
3450                        pass
3451
3452        if str(self.cbModel.currentText()) != str(context['model_name'][0]):
3453            msg = QtWidgets.QMessageBox()
3454            msg.setIcon(QtWidgets.QMessageBox.Information)
3455            msg.setText("The model in the clipboard is not the same as the currently loaded model. \
3456                         Not all parameters saved may paste correctly.")
3457            msg.setStandardButtons(QtWidgets.QMessageBox.Ok | QtWidgets.QMessageBox.Cancel)
3458            result = msg.exec_()
3459            if result == QtWidgets.QMessageBox.Ok:
3460                pass
3461            else:
3462                return
3463
3464        self.updateFullModel(context)
3465        self.updateFullPolyModel(context)
3466
3467    def updateFullModel(self, param_dict):
3468        """
3469        Update the model with new parameters
3470        """
3471        assert isinstance(param_dict, dict)
3472        if not dict:
3473            return
3474
3475        def updateFittedValues(row):
3476            # Utility function for main model update
3477            # internal so can use closure for param_dict
3478            param_name = str(self._model_model.item(row, 0).text())
3479            if param_name not in list(param_dict.keys()):
3480                return
3481            # checkbox state
3482            param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked
3483            self._model_model.item(row, 0).setCheckState(param_checked)
3484
3485            # modify the param value
3486            param_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
3487            self._model_model.item(row, 1).setText(param_repr)
3488
3489            # Potentially the error column
3490            ioffset = 0
3491            if len(param_dict[param_name])>4 and self.has_error_column:
3492                # error values are not editable - no need to update
3493                #error_repr = GuiUtils.formatNumber(param_dict[param_name][2], high=True)
3494                #self._model_model.item(row, 2).setText(error_repr)
3495                ioffset = 1
3496            # min/max
3497            try:
3498                param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True)
3499                self._model_model.item(row, 2+ioffset).setText(param_repr)
3500                param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True)
3501                self._model_model.item(row, 3+ioffset).setText(param_repr)
3502            except:
3503                pass
3504
3505            self.setFocus()
3506
3507
3508
3509        # block signals temporarily, so we don't end up
3510        # updating charts with every single model change on the end of fitting
3511        self._model_model.blockSignals(True)
3512        self.iterateOverModel(updateFittedValues)
3513        self._model_model.blockSignals(False)
3514
3515
3516    def updateFullPolyModel(self, param_dict):
3517        """
3518        Update the polydispersity model with new parameters, create the errors column
3519        """
3520        assert isinstance(param_dict, dict)
3521        if not dict:
3522            return
3523
3524        def updateFittedValues(row):
3525            # Utility function for main model update
3526            # internal so can use closure for param_dict
3527            if row >= self._poly_model.rowCount():
3528                return
3529            param_name = str(self._poly_model.item(row, 0).text()).rsplit()[-1] + '.width'
3530            if param_name not in list(param_dict.keys()):
3531                return
3532            # checkbox state
3533            param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked
3534            self._poly_model.item(row,0).setCheckState(param_checked)
3535
3536            # modify the param value
3537            param_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
3538            self._poly_model.item(row, 1).setText(param_repr)
3539
3540            # Potentially the error column
3541            ioffset = 0
3542            if len(param_dict[param_name])>4 and self.has_poly_error_column:
3543                ioffset = 1
3544            # min
3545            param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True)
3546            self._poly_model.item(row, 2+ioffset).setText(param_repr)
3547            # max
3548            param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True)
3549            self._poly_model.item(row, 3+ioffset).setText(param_repr)
3550            # Npts
3551            param_repr = GuiUtils.formatNumber(param_dict[param_name][4+ioffset], high=True)
3552            self._poly_model.item(row, 4+ioffset).setText(param_repr)
3553            # Nsigs
3554            param_repr = GuiUtils.formatNumber(param_dict[param_name][5+ioffset], high=True)
3555            self._poly_model.item(row, 5+ioffset).setText(param_repr)
3556
3557            param_repr = GuiUtils.formatNumber(param_dict[param_name][5+ioffset], high=True)
3558            self._poly_model.item(row, 5+ioffset).setText(param_repr)
3559            self.setFocus()
3560
3561        # block signals temporarily, so we don't end up
3562        # updating charts with every single model change on the end of fitting
3563        self._poly_model.blockSignals(True)
3564        self.iterateOverPolyModel(updateFittedValues)
3565        self._poly_model.blockSignals(False)
3566
3567
3568
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