source: sasview/src/sas/qtgui/Perspectives/Fitting/FittingWidget.py @ 10fee37

ESS_GUIESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalc
Last change on this file since 10fee37 was 10fee37, checked in by Torin Cooper-Bennun <torin.cooper-bennun@…>, 6 years ago

misc fixes to fitpage save

  • Property mode set to 100644
File size: 117.0 KB
RevLine 
[60af928]1import json
[cd31251]2import os
[60af928]3from collections import defaultdict
[b3e8629]4
[d4dac80]5import copy
[5236449]6import logging
7import traceback
[cbcdd2c]8from twisted.internet import threads
[1bc27f1]9import numpy as np
[e90988c]10import webbrowser
[5236449]11
[4992ff2]12from PyQt5 import QtCore
13from PyQt5 import QtGui
14from PyQt5 import QtWidgets
[60af928]15
16from sasmodels import generate
17from sasmodels import modelinfo
[5236449]18from sasmodels.sasview_model import load_standard_models
[18d5c94a]19from sasmodels.sasview_model import MultiplicationModel
[358b39d]20from sasmodels.weights import MODELS as POLYDISPERSITY_MODELS
21
[f182f93]22from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit
[57be490]23from sas.sascalc.fit.pagestate import PageState
[5236449]24
[83eb5208]25import sas.qtgui.Utilities.GuiUtils as GuiUtils
[14ec91c5]26import sas.qtgui.Utilities.LocalConfig as LocalConfig
[dc5ef15]27from sas.qtgui.Utilities.CategoryInstaller import CategoryInstaller
28from sas.qtgui.Plotting.PlotterData import Data1D
29from sas.qtgui.Plotting.PlotterData import Data2D
[5236449]30
[1bc27f1]31from sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI import Ui_FittingWidgetUI
[dc5ef15]32from sas.qtgui.Perspectives.Fitting.FitThread import FitThread
[7adc2a8]33from sas.qtgui.Perspectives.Fitting.ConsoleUpdate import ConsoleUpdate
34
[dc5ef15]35from sas.qtgui.Perspectives.Fitting.ModelThread import Calc1D
36from sas.qtgui.Perspectives.Fitting.ModelThread import Calc2D
[4d457df]37from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic
38from sas.qtgui.Perspectives.Fitting import FittingUtilities
[3b3b40b]39from sas.qtgui.Perspectives.Fitting import ModelUtilities
[1bc27f1]40from sas.qtgui.Perspectives.Fitting.SmearingWidget import SmearingWidget
41from sas.qtgui.Perspectives.Fitting.OptionsWidget import OptionsWidget
42from sas.qtgui.Perspectives.Fitting.FitPage import FitPage
[ad6b4e2]43from sas.qtgui.Perspectives.Fitting.ViewDelegate import ModelViewDelegate
[6011788]44from sas.qtgui.Perspectives.Fitting.ViewDelegate import PolyViewDelegate
[b00414d]45from sas.qtgui.Perspectives.Fitting.ViewDelegate import MagnetismViewDelegate
[14ec91c5]46from sas.qtgui.Perspectives.Fitting.Constraint import Constraint
[eae226b]47from sas.qtgui.Perspectives.Fitting.MultiConstraint import MultiConstraint
[57be490]48from sas.qtgui.Perspectives.Fitting.ReportPageLogic import ReportPageLogic
49
[60af928]50
[8222f171]51
[60af928]52TAB_MAGNETISM = 4
53TAB_POLY = 3
[cbcdd2c]54CATEGORY_DEFAULT = "Choose category..."
[4d457df]55CATEGORY_STRUCTURE = "Structure Factor"
[3b3b40b]56CATEGORY_CUSTOM = "Plugin Models"
[351b53e]57STRUCTURE_DEFAULT = "None"
[60af928]58
[358b39d]59DEFAULT_POLYDISP_FUNCTION = 'gaussian'
60
[7adc2a8]61
[dc71408]62logger = logging.getLogger(__name__)
63
64
[13cd397]65class ToolTippedItemModel(QtGui.QStandardItemModel):
[f54ce30]66    """
67    Subclass from QStandardItemModel to allow displaying tooltips in
68    QTableView model.
69    """
[d0dfcb2]70    def __init__(self, parent=None):
[8e2cd79]71        QtGui.QStandardItemModel.__init__(self, parent)
[13cd397]72
[fbfc488]73    def headerData(self, section, orientation, role=QtCore.Qt.DisplayRole):
[f54ce30]74        """
75        Displays tooltip for each column's header
76        :param section:
77        :param orientation:
78        :param role:
79        :return:
80        """
[13cd397]81        if role == QtCore.Qt.ToolTipRole:
82            if orientation == QtCore.Qt.Horizontal:
[b3e8629]83                return str(self.header_tooltips[section])
[ca7c6bd]84
[a95c44b]85        return QtGui.QStandardItemModel.headerData(self, section, orientation, role)
[13cd397]86
[4992ff2]87class FittingWidget(QtWidgets.QWidget, Ui_FittingWidgetUI):
[60af928]88    """
[f46f6dc]89    Main widget for selecting form and structure factor models
[60af928]90    """
[be8f4b0]91    constraintAddedSignal = QtCore.pyqtSignal(list)
92    newModelSignal = QtCore.pyqtSignal()
[3b3b40b]93    fittingFinishedSignal = QtCore.pyqtSignal(tuple)
94    batchFittingFinishedSignal = QtCore.pyqtSignal(tuple)
[d4dac80]95    Calc1DFinishedSignal = QtCore.pyqtSignal(tuple)
96    Calc2DFinishedSignal = QtCore.pyqtSignal(tuple)
[3b3b40b]97
[1bc27f1]98    def __init__(self, parent=None, data=None, tab_id=1):
[60af928]99
100        super(FittingWidget, self).__init__()
101
[86f88d1]102        # Necessary globals
[cbcdd2c]103        self.parent = parent
[2a432e7]104
105        # Which tab is this widget displayed in?
106        self.tab_id = tab_id
107
108        # Globals
109        self.initializeGlobals()
110
[d4dac80]111        # data index for the batch set
112        self.data_index = 0
113        # Main Data[12]D holders
114        # Logics.data contains a single Data1D/Data2D object
115        self._logic = [FittingLogic()]
116
[2a432e7]117        # Main GUI setup up
118        self.setupUi(self)
119        self.setWindowTitle("Fitting")
120
121        # Set up tabs widgets
122        self.initializeWidgets()
123
124        # Set up models and views
125        self.initializeModels()
126
127        # Defaults for the structure factors
128        self.setDefaultStructureCombo()
129
130        # Make structure factor and model CBs disabled
131        self.disableModelCombo()
132        self.disableStructureCombo()
133
134        # Generate the category list for display
135        self.initializeCategoryCombo()
136
137        # Initial control state
138        self.initializeControls()
139
[ebfe223]140        QtWidgets.QApplication.processEvents()
141
142        # Connect signals to controls
143        self.initializeSignals()
144
[d4dac80]145        if data is not None:
146            self.data = data
[2a432e7]147
[457d961]148        # New font to display angstrom symbol
149        new_font = 'font-family: -apple-system, "Helvetica Neue", "Ubuntu";'
150        self.label_17.setStyleSheet(new_font)
151        self.label_19.setStyleSheet(new_font)
152
[d4dac80]153    @property
154    def logic(self):
155        # make sure the logic contains at least one element
[8e2cd79]156        assert self._logic
[d4dac80]157        # logic connected to the currently shown data
158        return self._logic[self.data_index]
[2a432e7]159
160    @property
161    def data(self):
162        return self.logic.data
163
164    @data.setter
165    def data(self, value):
166        """ data setter """
[f7d14a1]167        # Value is either a list of indices for batch fitting or a simple index
168        # for standard fitting. Assure we have a list, regardless.
[ee18d33]169        if isinstance(value, list):
170            self.is_batch_fitting = True
171        else:
172            value = [value]
173
174        assert isinstance(value[0], QtGui.QStandardItem)
175
176        # Keep reference to all datasets for batch
177        self.all_data = value
[2a432e7]178
[d4dac80]179        # Create logics with data items
[f7d14a1]180        # Logics.data contains only a single Data1D/Data2D object
[87dfca4]181        if len(value) == 1:
182            # single data logic is already defined, update data on it
183            self._logic[0].data = GuiUtils.dataFromItem(value[0])
184        else:
185            # batch datasets
186            for data_item in value:
187                logic = FittingLogic(data=GuiUtils.dataFromItem(data_item))
188                self._logic.append(logic)
[2a432e7]189
190        # Overwrite data type descriptor
191        self.is2D = True if isinstance(self.logic.data, Data2D) else False
192
[f7d14a1]193        # Let others know we're full of data now
[2a432e7]194        self.data_is_loaded = True
195
196        # Enable/disable UI components
197        self.setEnablementOnDataLoad()
198
199    def initializeGlobals(self):
200        """
201        Initialize global variables used in this class
202        """
[cbcdd2c]203        # SasModel is loaded
[60af928]204        self.model_is_loaded = False
[cbcdd2c]205        # Data[12]D passed and set
[5236449]206        self.data_is_loaded = False
[ee18d33]207        # Batch/single fitting
208        self.is_batch_fitting = False
[7fd20fc]209        self.is_chain_fitting = False
[ded5e77]210        # Is the fit job running?
[8e2cd79]211        self.fit_started = False
[ded5e77]212        # The current fit thread
213        self.calc_fit = None
[cbcdd2c]214        # Current SasModel in view
[5236449]215        self.kernel_module = None
[cbcdd2c]216        # Current SasModel view dimension
[60af928]217        self.is2D = False
[cbcdd2c]218        # Current SasModel is multishell
[86f88d1]219        self.model_has_shells = False
[cbcdd2c]220        # Utility variable to enable unselectable option in category combobox
[86f88d1]221        self._previous_category_index = 0
[cbcdd2c]222        # Utility variable for multishell display
[86f88d1]223        self._last_model_row = 0
[cbcdd2c]224        # Dictionary of {model name: model class} for the current category
[5236449]225        self.models = {}
[f182f93]226        # Parameters to fit
227        self.parameters_to_fit = None
[180bd54]228        # Fit options
229        self.q_range_min = 0.005
230        self.q_range_max = 0.1
231        self.npts = 25
232        self.log_points = False
233        self.weighting = 0
[2add354]234        self.chi2 = None
[6011788]235        # Does the control support UNDO/REDO
236        # temporarily off
[2241130]237        self.undo_supported = False
238        self.page_stack = []
[377ade1]239        self.all_data = []
[3b3b40b]240        # custom plugin models
241        # {model.name:model}
242        self.custom_models = self.customModels()
[8222f171]243        # Polydisp widget table default index for function combobox
244        self.orig_poly_index = 3
[d4dac80]245        # copy of current kernel model
246        self.kernel_module_copy = None
[6011788]247
[116dd4c1]248        # Page id for fitting
249        # To keep with previous SasView values, use 200 as the start offset
250        self.page_id = 200 + self.tab_id
251
[d48cc19]252        # Data for chosen model
253        self.model_data = None
254
[a9b568c]255        # Which shell is being currently displayed?
256        self.current_shell_displayed = 0
[0d13814]257        # List of all shell-unique parameters
258        self.shell_names = []
[b00414d]259
260        # Error column presence in parameter display
[f182f93]261        self.has_error_column = False
[aca8418]262        self.has_poly_error_column = False
[b00414d]263        self.has_magnet_error_column = False
[a9b568c]264
[2a432e7]265        # signal communicator
[cbcdd2c]266        self.communicate = self.parent.communicate
[60af928]267
[2a432e7]268    def initializeWidgets(self):
269        """
270        Initialize widgets for tabs
271        """
[180bd54]272        # Options widget
[4992ff2]273        layout = QtWidgets.QGridLayout()
[180bd54]274        self.options_widget = OptionsWidget(self, self.logic)
[1bc27f1]275        layout.addWidget(self.options_widget)
[180bd54]276        self.tabOptions.setLayout(layout)
277
[e1e3e09]278        # Smearing widget
[4992ff2]279        layout = QtWidgets.QGridLayout()
[e1e3e09]280        self.smearing_widget = SmearingWidget(self)
[1bc27f1]281        layout.addWidget(self.smearing_widget)
[180bd54]282        self.tabResolution.setLayout(layout)
[e1e3e09]283
[b1e36a3]284        # Define bold font for use in various controls
[1bc27f1]285        self.boldFont = QtGui.QFont()
[a0f5c36]286        self.boldFont.setBold(True)
287
288        # Set data label
[b1e36a3]289        self.label.setFont(self.boldFont)
290        self.label.setText("No data loaded")
291        self.lblFilename.setText("")
292
[6ff2eb3]293        # Magnetic angles explained in one picture
[4992ff2]294        self.magneticAnglesWidget = QtWidgets.QWidget()
295        labl = QtWidgets.QLabel(self.magneticAnglesWidget)
[6ff2eb3]296        pixmap = QtGui.QPixmap(GuiUtils.IMAGES_DIRECTORY_LOCATION + '/M_angles_pic.bmp')
297        labl.setPixmap(pixmap)
298        self.magneticAnglesWidget.setFixedSize(pixmap.width(), pixmap.height())
299
[2a432e7]300    def initializeModels(self):
301        """
302        Set up models and views
303        """
[86f88d1]304        # Set the main models
[cd31251]305        # We can't use a single model here, due to restrictions on flattening
306        # the model tree with subclassed QAbstractProxyModel...
[13cd397]307        self._model_model = ToolTippedItemModel()
308        self._poly_model = ToolTippedItemModel()
309        self._magnet_model = ToolTippedItemModel()
[60af928]310
311        # Param model displayed in param list
312        self.lstParams.setModel(self._model_model)
[5236449]313        self.readCategoryInfo()
[4992ff2]314
[60af928]315        self.model_parameters = None
[ad6b4e2]316
317        # Delegates for custom editing and display
318        self.lstParams.setItemDelegate(ModelViewDelegate(self))
319
[86f88d1]320        self.lstParams.setAlternatingRowColors(True)
[61a92d4]321        stylesheet = """
[457d961]322
323            QTreeView {
324                paint-alternating-row-colors-for-empty-area:0;
325            }
326
[97df8a9]327            QTreeView::item {
328                border: 1px;
[ebfe223]329                padding: 2px 1px;
[97df8a9]330            }
331
[2a432e7]332            QTreeView::item:hover {
333                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #e7effd, stop: 1 #cbdaf1);
334                border: 1px solid #bfcde4;
[61a92d4]335            }
[2a432e7]336
337            QTreeView::item:selected {
338                border: 1px solid #567dbc;
339            }
340
341            QTreeView::item:selected:active{
342                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6ea1f1, stop: 1 #567dbc);
343            }
344
345            QTreeView::item:selected:!active {
346                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6b9be8, stop: 1 #577fbf);
347            }
348           """
[61a92d4]349        self.lstParams.setStyleSheet(stylesheet)
[672b8ab]350        self.lstParams.setContextMenuPolicy(QtCore.Qt.CustomContextMenu)
[7fd20fc]351        self.lstParams.customContextMenuRequested.connect(self.showModelContextMenu)
[457d961]352        self.lstParams.setAttribute(QtCore.Qt.WA_MacShowFocusRect, False)
[60af928]353        # Poly model displayed in poly list
[811bec1]354        self.lstPoly.setModel(self._poly_model)
[60af928]355        self.setPolyModel()
356        self.setTableProperties(self.lstPoly)
[6011788]357        # Delegates for custom editing and display
[aca8418]358        self.lstPoly.setItemDelegate(PolyViewDelegate(self))
359        # Polydispersity function combo response
360        self.lstPoly.itemDelegate().combo_updated.connect(self.onPolyComboIndexChange)
[e43fc91]361        self.lstPoly.itemDelegate().filename_updated.connect(self.onPolyFilenameChange)
[60af928]362
363        # Magnetism model displayed in magnetism list
364        self.lstMagnetic.setModel(self._magnet_model)
365        self.setMagneticModel()
366        self.setTableProperties(self.lstMagnetic)
[b00414d]367        # Delegates for custom editing and display
368        self.lstMagnetic.setItemDelegate(MagnetismViewDelegate(self))
[60af928]369
[2a432e7]370    def initializeCategoryCombo(self):
371        """
372        Model category combo setup
373        """
[60af928]374        category_list = sorted(self.master_category_dict.keys())
[86f88d1]375        self.cbCategory.addItem(CATEGORY_DEFAULT)
[60af928]376        self.cbCategory.addItems(category_list)
[3d18691]377        if CATEGORY_STRUCTURE not in category_list:
378            self.cbCategory.addItem(CATEGORY_STRUCTURE)
[6f7f652]379        self.cbCategory.setCurrentIndex(0)
[60af928]380
[e1e3e09]381    def setEnablementOnDataLoad(self):
382        """
383        Enable/disable various UI elements based on data loaded
384        """
[cbcdd2c]385        # Tag along functionality
[b1e36a3]386        self.label.setText("Data loaded from: ")
[a0f5c36]387        self.lblFilename.setText(self.logic.data.filename)
[5236449]388        self.updateQRange()
[e1e3e09]389        # Switch off Data2D control
390        self.chk2DView.setEnabled(False)
391        self.chk2DView.setVisible(False)
[6ff2eb3]392        self.chkMagnetism.setEnabled(self.is2D)
[e20870bc]393        self.tabFitting.setTabEnabled(TAB_MAGNETISM, self.chkMagnetism.isChecked())
[ee18d33]394        # Combo box or label for file name"
395        if self.is_batch_fitting:
396            self.lblFilename.setVisible(False)
397            for dataitem in self.all_data:
398                filename = GuiUtils.dataFromItem(dataitem).filename
399                self.cbFileNames.addItem(filename)
400            self.cbFileNames.setVisible(True)
[7fd20fc]401            self.chkChainFit.setEnabled(True)
402            self.chkChainFit.setVisible(True)
[38eb433]403            # This panel is not designed to view individual fits, so disable plotting
404            self.cmdPlot.setVisible(False)
[180bd54]405        # Similarly on other tabs
406        self.options_widget.setEnablementOnDataLoad()
[f7d14a1]407        self.onSelectModel()
[e1e3e09]408        # Smearing tab
[9a7c81c]409        self.smearing_widget.updateData(self.data)
[60af928]410
[f46f6dc]411    def acceptsData(self):
412        """ Tells the caller this widget can accept new dataset """
[5236449]413        return not self.data_is_loaded
[f46f6dc]414
[6f7f652]415    def disableModelCombo(self):
[cbcdd2c]416        """ Disable the combobox """
[6f7f652]417        self.cbModel.setEnabled(False)
[b1e36a3]418        self.lblModel.setEnabled(False)
[6f7f652]419
420    def enableModelCombo(self):
[cbcdd2c]421        """ Enable the combobox """
[6f7f652]422        self.cbModel.setEnabled(True)
[b1e36a3]423        self.lblModel.setEnabled(True)
[6f7f652]424
425    def disableStructureCombo(self):
[cbcdd2c]426        """ Disable the combobox """
[6f7f652]427        self.cbStructureFactor.setEnabled(False)
[b1e36a3]428        self.lblStructure.setEnabled(False)
[6f7f652]429
430    def enableStructureCombo(self):
[cbcdd2c]431        """ Enable the combobox """
[6f7f652]432        self.cbStructureFactor.setEnabled(True)
[b1e36a3]433        self.lblStructure.setEnabled(True)
[6f7f652]434
[0268aed]435    def togglePoly(self, isChecked):
[454670d]436        """ Enable/disable the polydispersity tab """
[0268aed]437        self.tabFitting.setTabEnabled(TAB_POLY, isChecked)
438
439    def toggleMagnetism(self, isChecked):
[454670d]440        """ Enable/disable the magnetism tab """
[0268aed]441        self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked)
442
[7fd20fc]443    def toggleChainFit(self, isChecked):
444        """ Enable/disable chain fitting """
445        self.is_chain_fitting = isChecked
446
[0268aed]447    def toggle2D(self, isChecked):
[454670d]448        """ Enable/disable the controls dependent on 1D/2D data instance """
[0268aed]449        self.chkMagnetism.setEnabled(isChecked)
450        self.is2D = isChecked
[1970780]451        # Reload the current model
[e1e3e09]452        if self.kernel_module:
453            self.onSelectModel()
[5236449]454
[8b480d27]455    @classmethod
456    def customModels(cls):
[3b3b40b]457        """ Reads in file names in the custom plugin directory """
458        return ModelUtilities._find_models()
459
[86f88d1]460    def initializeControls(self):
461        """
462        Set initial control enablement
463        """
[ee18d33]464        self.cbFileNames.setVisible(False)
[86f88d1]465        self.cmdFit.setEnabled(False)
[d48cc19]466        self.cmdPlot.setEnabled(False)
[180bd54]467        self.options_widget.cmdComputePoints.setVisible(False) # probably redundant
[86f88d1]468        self.chkPolydispersity.setEnabled(True)
469        self.chkPolydispersity.setCheckState(False)
470        self.chk2DView.setEnabled(True)
471        self.chk2DView.setCheckState(False)
472        self.chkMagnetism.setEnabled(False)
473        self.chkMagnetism.setCheckState(False)
[7fd20fc]474        self.chkChainFit.setEnabled(False)
475        self.chkChainFit.setVisible(False)
[cbcdd2c]476        # Tabs
[86f88d1]477        self.tabFitting.setTabEnabled(TAB_POLY, False)
478        self.tabFitting.setTabEnabled(TAB_MAGNETISM, False)
479        self.lblChi2Value.setText("---")
[e1e3e09]480        # Smearing tab
[9a7c81c]481        self.smearing_widget.updateData(self.data)
[180bd54]482        # Line edits in the option tab
483        self.updateQRange()
[86f88d1]484
485    def initializeSignals(self):
486        """
487        Connect GUI element signals
488        """
[cbcdd2c]489        # Comboboxes
[cd31251]490        self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor)
491        self.cbCategory.currentIndexChanged.connect(self.onSelectCategory)
492        self.cbModel.currentIndexChanged.connect(self.onSelectModel)
[ee18d33]493        self.cbFileNames.currentIndexChanged.connect(self.onSelectBatchFilename)
[cbcdd2c]494        # Checkboxes
[86f88d1]495        self.chk2DView.toggled.connect(self.toggle2D)
496        self.chkPolydispersity.toggled.connect(self.togglePoly)
497        self.chkMagnetism.toggled.connect(self.toggleMagnetism)
[7fd20fc]498        self.chkChainFit.toggled.connect(self.toggleChainFit)
[cbcdd2c]499        # Buttons
[5236449]500        self.cmdFit.clicked.connect(self.onFit)
[cbcdd2c]501        self.cmdPlot.clicked.connect(self.onPlot)
[2add354]502        self.cmdHelp.clicked.connect(self.onHelp)
[6ff2eb3]503        self.cmdMagneticDisplay.clicked.connect(self.onDisplayMagneticAngles)
[cbcdd2c]504
505        # Respond to change in parameters from the UI
[b00414d]506        self._model_model.itemChanged.connect(self.onMainParamsChange)
[eae226b]507        #self.constraintAddedSignal.connect(self.modifyViewOnConstraint)
[cd31251]508        self._poly_model.itemChanged.connect(self.onPolyModelChange)
[b00414d]509        self._magnet_model.itemChanged.connect(self.onMagnetModelChange)
[3b3b40b]510        self.lstParams.selectionModel().selectionChanged.connect(self.onSelectionChanged)
511
512        # Local signals
513        self.batchFittingFinishedSignal.connect(self.batchFitComplete)
514        self.fittingFinishedSignal.connect(self.fitComplete)
[d4dac80]515        self.Calc1DFinishedSignal.connect(self.complete1D)
516        self.Calc2DFinishedSignal.connect(self.complete2D)
[86f88d1]517
[180bd54]518        # Signals from separate tabs asking for replot
519        self.options_widget.plot_signal.connect(self.onOptionsUpdate)
[e20870bc]520        self.options_widget.plot_signal.connect(self.onOptionsUpdate)
[180bd54]521
[3b3b40b]522        # Signals from other widgets
523        self.communicate.customModelDirectoryChanged.connect(self.onCustomModelChange)
[57be490]524        self.communicate.saveAnalysisSignal.connect(self.savePageState)
[9a7c81c]525        self.smearing_widget.smearingChangedSignal.connect(self.onSmearingOptionsUpdate)
[8e2cd79]526        self.communicate.copyFitParamsSignal.connect(self.onParameterCopy)
527        self.communicate.pasteFitParamsSignal.connect(self.onParameterPaste)
[3b3b40b]528
[3d18691]529        # Communicator signal
530        self.communicate.updateModelCategoriesSignal.connect(self.onCategoriesChanged)
531
[d3c0b95]532    def modelName(self):
533        """
534        Returns model name, by default M<tab#>, e.g. M1, M2
535        """
536        return "M%i" % self.tab_id
537
538    def nameForFittedData(self, name):
539        """
540        Generate name for the current fit
541        """
542        if self.is2D:
543            name += "2d"
544        name = "%s [%s]" % (self.modelName(), name)
545        return name
[7fd20fc]546
[d3c0b95]547    def showModelContextMenu(self, position):
548        """
549        Show context specific menu in the parameter table.
550        When clicked on parameter(s): fitting/constraints options
551        When clicked on white space: model description
552        """
[eae226b]553        rows = [s.row() for s in self.lstParams.selectionModel().selectedRows()]
[7fd20fc]554        menu = self.showModelDescription() if not rows else self.modelContextMenu(rows)
555        try:
556            menu.exec_(self.lstParams.viewport().mapToGlobal(position))
557        except AttributeError as ex:
558            logging.error("Error generating context menu: %s" % ex)
559        return
560
561    def modelContextMenu(self, rows):
[eae226b]562        """
[d3c0b95]563        Create context menu for the parameter selection
[eae226b]564        """
[7fd20fc]565        menu = QtWidgets.QMenu()
[eae226b]566        num_rows = len(rows)
[63319b0]567        if num_rows < 1:
568            return menu
[7fd20fc]569        # Select for fitting
[8e2cd79]570        param_string = "parameter " if num_rows == 1 else "parameters "
571        to_string = "to its current value" if num_rows == 1 else "to their current values"
[d3c0b95]572        has_constraints = any([self.rowHasConstraint(i) for i in rows])
[eae226b]573
[7fd20fc]574        self.actionSelect = QtWidgets.QAction(self)
575        self.actionSelect.setObjectName("actionSelect")
[eae226b]576        self.actionSelect.setText(QtCore.QCoreApplication.translate("self", "Select "+param_string+" for fitting"))
[7fd20fc]577        # Unselect from fitting
578        self.actionDeselect = QtWidgets.QAction(self)
579        self.actionDeselect.setObjectName("actionDeselect")
[eae226b]580        self.actionDeselect.setText(QtCore.QCoreApplication.translate("self", "De-select "+param_string+" from fitting"))
[7fd20fc]581
582        self.actionConstrain = QtWidgets.QAction(self)
583        self.actionConstrain.setObjectName("actionConstrain")
[eae226b]584        self.actionConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain "+param_string + to_string))
585
586        self.actionRemoveConstraint = QtWidgets.QAction(self)
587        self.actionRemoveConstraint.setObjectName("actionRemoveConstrain")
588        self.actionRemoveConstraint.setText(QtCore.QCoreApplication.translate("self", "Remove constraint"))
[7fd20fc]589
590        self.actionMultiConstrain = QtWidgets.QAction(self)
591        self.actionMultiConstrain.setObjectName("actionMultiConstrain")
592        self.actionMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain selected parameters to their current values"))
593
594        self.actionMutualMultiConstrain = QtWidgets.QAction(self)
595        self.actionMutualMultiConstrain.setObjectName("actionMutualMultiConstrain")
596        self.actionMutualMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Mutual constrain of selected parameters..."))
597
598        menu.addAction(self.actionSelect)
599        menu.addAction(self.actionDeselect)
600        menu.addSeparator()
601
[d3c0b95]602        if has_constraints:
[eae226b]603            menu.addAction(self.actionRemoveConstraint)
[d3c0b95]604            #if num_rows == 1:
605            #    menu.addAction(self.actionEditConstraint)
[eae226b]606        else:
[7fd20fc]607            menu.addAction(self.actionConstrain)
[d3c0b95]608            if num_rows == 2:
609                menu.addAction(self.actionMutualMultiConstrain)
[7fd20fc]610
611        # Define the callbacks
[0595bb7]612        self.actionConstrain.triggered.connect(self.addSimpleConstraint)
[eae226b]613        self.actionRemoveConstraint.triggered.connect(self.deleteConstraint)
[0595bb7]614        self.actionMutualMultiConstrain.triggered.connect(self.showMultiConstraint)
[7fd20fc]615        self.actionSelect.triggered.connect(self.selectParameters)
616        self.actionDeselect.triggered.connect(self.deselectParameters)
617        return menu
618
[0595bb7]619    def showMultiConstraint(self):
[7fd20fc]620        """
621        Show the constraint widget and receive the expression
622        """
[0595bb7]623        selected_rows = self.lstParams.selectionModel().selectedRows()
[6e58f2f]624        # There have to be only two rows selected. The caller takes care of that
625        # but let's check the correctness.
[8e2cd79]626        assert len(selected_rows) == 2
[0595bb7]627
628        params_list = [s.data() for s in selected_rows]
[eae226b]629        # Create and display the widget for param1 and param2
[7fd20fc]630        mc_widget = MultiConstraint(self, params=params_list)
[eae226b]631        if mc_widget.exec_() != QtWidgets.QDialog.Accepted:
632            return
633
[0595bb7]634        constraint = Constraint()
635        c_text = mc_widget.txtConstraint.text()
636
[eae226b]637        # widget.params[0] is the parameter we're constraining
638        constraint.param = mc_widget.params[0]
[3b3b40b]639        # parameter should have the model name preamble
[06234fc]640        model_name = self.kernel_module.name
[3b3b40b]641        # param_used is the parameter we're using in constraining function
642        param_used = mc_widget.params[1]
643        # Replace param_used with model_name.param_used
644        updated_param_used = model_name + "." + param_used
645        new_func = c_text.replace(param_used, updated_param_used)
646        constraint.func = new_func
[d3c0b95]647        # Which row is the constrained parameter in?
[2d466e4]648        row = self.getRowFromName(constraint.param)
[eae226b]649
[6e58f2f]650        # Create a new item and add the Constraint object as a child
651        self.addConstraintToRow(constraint=constraint, row=row)
[eae226b]652
[2d466e4]653    def getRowFromName(self, name):
[eae226b]654        """
[d3c0b95]655        Given parameter name get the row number in self._model_model
[eae226b]656        """
657        for row in range(self._model_model.rowCount()):
658            row_name = self._model_model.item(row).text()
659            if row_name == name:
660                return row
661        return None
662
[2d466e4]663    def getParamNames(self):
664        """
665        Return list of all parameters for the current model
666        """
667        return [self._model_model.item(row).text() for row in range(self._model_model.rowCount())]
668
[eae226b]669    def modifyViewOnRow(self, row, font=None, brush=None):
670        """
671        Chage how the given row of the main model is shown
672        """
673        fields_enabled = False
674        if font is None:
675            font = QtGui.QFont()
676            fields_enabled = True
677        if brush is None:
678            brush = QtGui.QBrush()
679            fields_enabled = True
[0595bb7]680        self._model_model.blockSignals(True)
681        # Modify font and foreground of affected rows
682        for column in range(0, self._model_model.columnCount()):
683            self._model_model.item(row, column).setForeground(brush)
684            self._model_model.item(row, column).setFont(font)
[eae226b]685            self._model_model.item(row, column).setEditable(fields_enabled)
[0595bb7]686        self._model_model.blockSignals(False)
687
[c5a2722f]688    def addConstraintToRow(self, constraint=None, row=0):
689        """
690        Adds the constraint object to requested row
691        """
692        # Create a new item and add the Constraint object as a child
[8e2cd79]693        assert isinstance(constraint, Constraint)
694        assert 0 <= row <= self._model_model.rowCount()
[c5a2722f]695
696        item = QtGui.QStandardItem()
697        item.setData(constraint)
698        self._model_model.item(row, 1).setChild(0, item)
699        # Set min/max to the value constrained
700        self.constraintAddedSignal.emit([row])
701        # Show visual hints for the constraint
702        font = QtGui.QFont()
703        font.setItalic(True)
704        brush = QtGui.QBrush(QtGui.QColor('blue'))
705        self.modifyViewOnRow(row, font=font, brush=brush)
706        self.communicate.statusBarUpdateSignal.emit('Constraint added')
707
[0595bb7]708    def addSimpleConstraint(self):
[7fd20fc]709        """
710        Adds a constraint on a single parameter.
[2add354]711        """
[d3c0b95]712        min_col = self.lstParams.itemDelegate().param_min
713        max_col = self.lstParams.itemDelegate().param_max
[0595bb7]714        for row in self.selectedParameters():
715            param = self._model_model.item(row, 0).text()
716            value = self._model_model.item(row, 1).text()
[235d766]717            min_t = self._model_model.item(row, min_col).text()
718            max_t = self._model_model.item(row, max_col).text()
[eae226b]719            # Create a Constraint object
[235d766]720            constraint = Constraint(param=param, value=value, min=min_t, max=max_t)
[eae226b]721            # Create a new item and add the Constraint object as a child
[0595bb7]722            item = QtGui.QStandardItem()
723            item.setData(constraint)
724            self._model_model.item(row, 1).setChild(0, item)
[235d766]725            # Assumed correctness from the validator
726            value = float(value)
727            # BUMPS calculates log(max-min) without any checks, so let's assign minor range
728            min_v = value - (value/10000.0)
729            max_v = value + (value/10000.0)
[eae226b]730            # Set min/max to the value constrained
[235d766]731            self._model_model.item(row, min_col).setText(str(min_v))
732            self._model_model.item(row, max_col).setText(str(max_v))
[be8f4b0]733            self.constraintAddedSignal.emit([row])
[eae226b]734            # Show visual hints for the constraint
735            font = QtGui.QFont()
736            font.setItalic(True)
737            brush = QtGui.QBrush(QtGui.QColor('blue'))
738            self.modifyViewOnRow(row, font=font, brush=brush)
[7fd20fc]739        self.communicate.statusBarUpdateSignal.emit('Constraint added')
740
[eae226b]741    def deleteConstraint(self):
742        """
743        Delete constraints from selected parameters.
744        """
[8e2cd79]745        params = [s.data() for s in self.lstParams.selectionModel().selectedRows()
[3b3b40b]746                   if self.isCheckable(s.row())]
747        for param in params:
748            self.deleteConstraintOnParameter(param=param)
[be8f4b0]749
750    def deleteConstraintOnParameter(self, param=None):
751        """
752        Delete the constraint on model parameter 'param'
753        """
[d3c0b95]754        min_col = self.lstParams.itemDelegate().param_min
755        max_col = self.lstParams.itemDelegate().param_max
[be8f4b0]756        for row in range(self._model_model.rowCount()):
[3b3b40b]757            if not self.rowHasConstraint(row):
758                continue
[eae226b]759            # Get the Constraint object from of the model item
760            item = self._model_model.item(row, 1)
[3b3b40b]761            constraint = self.getConstraintForRow(row)
[d3c0b95]762            if constraint is None:
763                continue
764            if not isinstance(constraint, Constraint):
765                continue
[be8f4b0]766            if param and constraint.param != param:
767                continue
768            # Now we got the right row. Delete the constraint and clean up
[eae226b]769            # Retrieve old values and put them on the model
770            if constraint.min is not None:
[d3c0b95]771                self._model_model.item(row, min_col).setText(constraint.min)
[eae226b]772            if constraint.max is not None:
[d3c0b95]773                self._model_model.item(row, max_col).setText(constraint.max)
[eae226b]774            # Remove constraint item
775            item.removeRow(0)
[be8f4b0]776            self.constraintAddedSignal.emit([row])
[eae226b]777            self.modifyViewOnRow(row)
[be8f4b0]778
[eae226b]779        self.communicate.statusBarUpdateSignal.emit('Constraint removed')
[be8f4b0]780
[d3c0b95]781    def getConstraintForRow(self, row):
782        """
783        For the given row, return its constraint, if any
784        """
785        try:
786            item = self._model_model.item(row, 1)
787            return item.child(0).data()
788        except AttributeError:
789            # return none when no constraints
790            return None
791
[eae226b]792    def rowHasConstraint(self, row):
793        """
794        Finds out if row of the main model has a constraint child
795        """
[8e2cd79]796        item = self._model_model.item(row, 1)
[be8f4b0]797        if item.hasChildren():
798            c = item.child(0).data()
[235d766]799            if isinstance(c, Constraint):
[be8f4b0]800                return True
801        return False
[116dd4c1]802
803    def rowHasActiveConstraint(self, row):
804        """
805        Finds out if row of the main model has an active constraint child
806        """
[8e2cd79]807        item = self._model_model.item(row, 1)
[116dd4c1]808        if item.hasChildren():
809            c = item.child(0).data()
[235d766]810            if isinstance(c, Constraint) and c.active:
811                return True
812        return False
813
814    def rowHasActiveComplexConstraint(self, row):
815        """
816        Finds out if row of the main model has an active, nontrivial constraint child
817        """
[8e2cd79]818        item = self._model_model.item(row, 1)
[235d766]819        if item.hasChildren():
820            c = item.child(0).data()
[116dd4c1]821            if isinstance(c, Constraint) and c.func and c.active:
822                return True
823        return False
[eae226b]824
[7fd20fc]825    def selectParameters(self):
826        """
[d3c0b95]827        Selected parameter is chosen for fitting
[7fd20fc]828        """
829        status = QtCore.Qt.Checked
830        self.setParameterSelection(status)
831
832    def deselectParameters(self):
833        """
834        Selected parameters are removed for fitting
835        """
836        status = QtCore.Qt.Unchecked
837        self.setParameterSelection(status)
838
839    def selectedParameters(self):
840        """ Returns list of selected (highlighted) parameters """
[d3c0b95]841        return [s.row() for s in self.lstParams.selectionModel().selectedRows()
842                if self.isCheckable(s.row())]
[7fd20fc]843
844    def setParameterSelection(self, status=QtCore.Qt.Unchecked):
845        """
846        Selected parameters are chosen for fitting
847        """
848        # Convert to proper indices and set requested enablement
849        for row in self.selectedParameters():
850            self._model_model.item(row, 0).setCheckState(status)
[d3c0b95]851
852    def getConstraintsForModel(self):
853        """
854        Return a list of tuples. Each tuple contains constraints mapped as
855        ('constrained parameter', 'function to constrain')
856        e.g. [('sld','5*sld_solvent')]
857        """
858        param_number = self._model_model.rowCount()
859        params = [(self._model_model.item(s, 0).text(),
[c5a2722f]860                    self._model_model.item(s, 1).child(0).data().func)
[116dd4c1]861                    for s in range(param_number) if self.rowHasActiveConstraint(s)]
[d3c0b95]862        return params
[7fd20fc]863
[235d766]864    def getComplexConstraintsForModel(self):
865        """
866        Return a list of tuples. Each tuple contains constraints mapped as
867        ('constrained parameter', 'function to constrain')
[06234fc]868        e.g. [('sld','5*M2.sld_solvent')].
[235d766]869        Only for constraints with defined VALUE
870        """
871        param_number = self._model_model.rowCount()
872        params = [(self._model_model.item(s, 0).text(),
873                    self._model_model.item(s, 1).child(0).data().func)
874                    for s in range(param_number) if self.rowHasActiveComplexConstraint(s)]
875        return params
876
[ba01ad1]877    def getConstraintObjectsForModel(self):
878        """
879        Returns Constraint objects present on the whole model
880        """
881        param_number = self._model_model.rowCount()
882        constraints = [self._model_model.item(s, 1).child(0).data()
883                       for s in range(param_number) if self.rowHasConstraint(s)]
884
885        return constraints
886
[3b3b40b]887    def getConstraintsForFitting(self):
888        """
889        Return a list of constraints in format ready for use in fiting
890        """
891        # Get constraints
892        constraints = self.getComplexConstraintsForModel()
893        # See if there are any constraints across models
894        multi_constraints = [cons for cons in constraints if self.isConstraintMultimodel(cons[1])]
895
896        if multi_constraints:
897            # Let users choose what to do
898            msg = "The current fit contains constraints relying on other fit pages.\n"
899            msg += "Parameters with those constraints are:\n" +\
900                '\n'.join([cons[0] for cons in multi_constraints])
901            msg += "\n\nWould you like to remove these constraints or cancel fitting?"
902            msgbox = QtWidgets.QMessageBox(self)
903            msgbox.setIcon(QtWidgets.QMessageBox.Warning)
904            msgbox.setText(msg)
905            msgbox.setWindowTitle("Existing Constraints")
906            # custom buttons
907            button_remove = QtWidgets.QPushButton("Remove")
908            msgbox.addButton(button_remove, QtWidgets.QMessageBox.YesRole)
909            button_cancel = QtWidgets.QPushButton("Cancel")
910            msgbox.addButton(button_cancel, QtWidgets.QMessageBox.RejectRole)
911            retval = msgbox.exec_()
912            if retval == QtWidgets.QMessageBox.RejectRole:
913                # cancel fit
914                raise ValueError("Fitting cancelled")
915            else:
916                # remove constraint
917                for cons in multi_constraints:
918                    self.deleteConstraintOnParameter(param=cons[0])
919                # re-read the constraints
920                constraints = self.getComplexConstraintsForModel()
921
922        return constraints
923
[7fd20fc]924    def showModelDescription(self):
925        """
926        Creates a window with model description, when right clicked in the treeview
[2add354]927        """
928        msg = 'Model description:\n'
929        if self.kernel_module is not None:
930            if str(self.kernel_module.description).rstrip().lstrip() == '':
931                msg += "Sorry, no information is available for this model."
932            else:
933                msg += self.kernel_module.description + '\n'
934        else:
935            msg += "You must select a model to get information on this"
936
[4992ff2]937        menu = QtWidgets.QMenu()
938        label = QtWidgets.QLabel(msg)
[d6b8a1d]939        action = QtWidgets.QWidgetAction(self)
[672b8ab]940        action.setDefaultWidget(label)
941        menu.addAction(action)
[7fd20fc]942        return menu
[2add354]943
[0268aed]944    def onSelectModel(self):
[cbcdd2c]945        """
[0268aed]946        Respond to select Model from list event
[cbcdd2c]947        """
[d6b8a1d]948        model = self.cbModel.currentText()
[0268aed]949
[b3e8629]950        # empty combobox forced to be read
951        if not model:
952            return
[0268aed]953        # Reset structure factor
954        self.cbStructureFactor.setCurrentIndex(0)
955
[f182f93]956        # Reset parameters to fit
957        self.parameters_to_fit = None
[d7ff531]958        self.has_error_column = False
[aca8418]959        self.has_poly_error_column = False
[f182f93]960
[fd1ae6d1]961        self.respondToModelStructure(model=model, structure_factor=None)
962
[ee18d33]963    def onSelectBatchFilename(self, data_index):
964        """
965        Update the logic based on the selected file in batch fitting
966        """
[d4dac80]967        self.data_index = data_index
[ee18d33]968        self.updateQRange()
969
[fd1ae6d1]970    def onSelectStructureFactor(self):
971        """
972        Select Structure Factor from list
973        """
974        model = str(self.cbModel.currentText())
975        category = str(self.cbCategory.currentText())
976        structure = str(self.cbStructureFactor.currentText())
977        if category == CATEGORY_STRUCTURE:
978            model = None
979        self.respondToModelStructure(model=model, structure_factor=structure)
980
[3b3b40b]981    def onCustomModelChange(self):
982        """
983        Reload the custom model combobox
984        """
985        self.custom_models = self.customModels()
986        self.readCustomCategoryInfo()
987        # See if we need to update the combo in-place
988        if self.cbCategory.currentText() != CATEGORY_CUSTOM: return
989
990        current_text = self.cbModel.currentText()
991        self.cbModel.blockSignals(True)
992        self.cbModel.clear()
993        self.cbModel.blockSignals(False)
994        self.enableModelCombo()
995        self.disableStructureCombo()
996        # Retrieve the list of models
997        model_list = self.master_category_dict[CATEGORY_CUSTOM]
998        # Populate the models combobox
999        self.cbModel.addItems(sorted([model for (model, _) in model_list]))
1000        new_index = self.cbModel.findText(current_text)
1001        if new_index != -1:
1002            self.cbModel.setCurrentIndex(self.cbModel.findText(current_text))
1003
1004    def onSelectionChanged(self):
1005        """
1006        React to parameter selection
1007        """
1008        rows = self.lstParams.selectionModel().selectedRows()
1009        # Clean previous messages
1010        self.communicate.statusBarUpdateSignal.emit("")
1011        if len(rows) == 1:
1012            # Show constraint, if present
1013            row = rows[0].row()
1014            if self.rowHasConstraint(row):
1015                func = self.getConstraintForRow(row).func
1016                if func is not None:
1017                    self.communicate.statusBarUpdateSignal.emit("Active constrain: "+func)
1018
[47d7d2d]1019    def replaceConstraintName(self, old_name, new_name=""):
1020        """
1021        Replace names of models in defined constraints
1022        """
1023        param_number = self._model_model.rowCount()
1024        # loop over parameters
1025        for row in range(param_number):
1026            if self.rowHasConstraint(row):
1027                func = self._model_model.item(row, 1).child(0).data().func
1028                if old_name in func:
1029                    new_func = func.replace(old_name, new_name)
1030                    self._model_model.item(row, 1).child(0).data().func = new_func
1031
[3b3b40b]1032    def isConstraintMultimodel(self, constraint):
1033        """
1034        Check if the constraint function text contains current model name
1035        """
1036        current_model_name = self.kernel_module.name
1037        if current_model_name in constraint:
1038            return False
1039        else:
1040            return True
1041
[9c0ce68]1042    def updateData(self):
1043        """
1044        Helper function for recalculation of data used in plotting
1045        """
1046        # Update the chart
[0268aed]1047        if self.data_is_loaded:
[d48cc19]1048            self.cmdPlot.setText("Show Plot")
[0268aed]1049            self.calculateQGridForModel()
1050        else:
[d48cc19]1051            self.cmdPlot.setText("Calculate")
[0268aed]1052            # Create default datasets if no data passed
1053            self.createDefaultDataset()
1054
[9c0ce68]1055    def respondToModelStructure(self, model=None, structure_factor=None):
1056        # Set enablement on calculate/plot
1057        self.cmdPlot.setEnabled(True)
1058
1059        # kernel parameters -> model_model
1060        self.SASModelToQModel(model, structure_factor)
1061
1062        # Update plot
1063        self.updateData()
1064
[6011788]1065        # Update state stack
[00b3b40]1066        self.updateUndo()
[2add354]1067
[be8f4b0]1068        # Let others know
1069        self.newModelSignal.emit()
1070
[cd31251]1071    def onSelectCategory(self):
[60af928]1072        """
1073        Select Category from list
1074        """
[d6b8a1d]1075        category = self.cbCategory.currentText()
[86f88d1]1076        # Check if the user chose "Choose category entry"
[4d457df]1077        if category == CATEGORY_DEFAULT:
[86f88d1]1078            # if the previous category was not the default, keep it.
1079            # Otherwise, just return
1080            if self._previous_category_index != 0:
[351b53e]1081                # We need to block signals, or else state changes on perceived unchanged conditions
1082                self.cbCategory.blockSignals(True)
[86f88d1]1083                self.cbCategory.setCurrentIndex(self._previous_category_index)
[351b53e]1084                self.cbCategory.blockSignals(False)
[86f88d1]1085            return
1086
[4d457df]1087        if category == CATEGORY_STRUCTURE:
[6f7f652]1088            self.disableModelCombo()
1089            self.enableStructureCombo()
[29eb947]1090            self._model_model.clear()
[6f7f652]1091            return
[8b480d27]1092
[cbcdd2c]1093        # Safely clear and enable the model combo
[6f7f652]1094        self.cbModel.blockSignals(True)
1095        self.cbModel.clear()
1096        self.cbModel.blockSignals(False)
1097        self.enableModelCombo()
1098        self.disableStructureCombo()
1099
[86f88d1]1100        self._previous_category_index = self.cbCategory.currentIndex()
[cbcdd2c]1101        # Retrieve the list of models
[4d457df]1102        model_list = self.master_category_dict[category]
[cbcdd2c]1103        # Populate the models combobox
[b1e36a3]1104        self.cbModel.addItems(sorted([model for (model, _) in model_list]))
[4d457df]1105
[0268aed]1106    def onPolyModelChange(self, item):
1107        """
1108        Callback method for updating the main model and sasmodel
1109        parameters with the GUI values in the polydispersity view
1110        """
1111        model_column = item.column()
1112        model_row = item.row()
1113        name_index = self._poly_model.index(model_row, 0)
[7fb471d]1114        parameter_name = str(name_index.data()).lower() # "distribution of sld" etc.
[c1e380e]1115        if "distribution of" in parameter_name:
[358b39d]1116            # just the last word
1117            parameter_name = parameter_name.rsplit()[-1]
[c1e380e]1118
[06b0138]1119        # Extract changed value.
[8eaa101]1120        if model_column == self.lstPoly.itemDelegate().poly_parameter:
[00b3b40]1121            # Is the parameter checked for fitting?
[0268aed]1122            value = item.checkState()
[1643d8ed]1123            parameter_name = parameter_name + '.width'
[c1e380e]1124            if value == QtCore.Qt.Checked:
1125                self.parameters_to_fit.append(parameter_name)
1126            else:
1127                if parameter_name in self.parameters_to_fit:
1128                    self.parameters_to_fit.remove(parameter_name)
[b00414d]1129            self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded)
[c1e380e]1130            return
[8eaa101]1131        elif model_column in [self.lstPoly.itemDelegate().poly_min, self.lstPoly.itemDelegate().poly_max]:
[aca8418]1132            try:
[fbfc488]1133                value = GuiUtils.toDouble(item.text())
[0261bc1]1134            except TypeError:
[aca8418]1135                # Can't be converted properly, bring back the old value and exit
1136                return
1137
1138            current_details = self.kernel_module.details[parameter_name]
1139            current_details[model_column-1] = value
[8eaa101]1140        elif model_column == self.lstPoly.itemDelegate().poly_function:
[919d47c]1141            # name of the function - just pass
1142            return
[0268aed]1143        else:
1144            try:
[fbfc488]1145                value = GuiUtils.toDouble(item.text())
[0261bc1]1146            except TypeError:
[0268aed]1147                # Can't be converted properly, bring back the old value and exit
1148                return
1149
[aca8418]1150            # Update the sasmodel
1151            # PD[ratio] -> width, npts -> npts, nsigs -> nsigmas
[919d47c]1152            self.kernel_module.setParam(parameter_name + '.' + \
[8eaa101]1153                                        self.lstPoly.itemDelegate().columnDict()[model_column], value)
[0268aed]1154
[9c0ce68]1155            # Update plot
1156            self.updateData()
1157
[b00414d]1158    def onMagnetModelChange(self, item):
1159        """
1160        Callback method for updating the sasmodel magnetic parameters with the GUI values
1161        """
1162        model_column = item.column()
1163        model_row = item.row()
1164        name_index = self._magnet_model.index(model_row, 0)
[fbfc488]1165        parameter_name = str(self._magnet_model.data(name_index))
[b00414d]1166
1167        if model_column == 0:
1168            value = item.checkState()
1169            if value == QtCore.Qt.Checked:
1170                self.parameters_to_fit.append(parameter_name)
1171            else:
1172                if parameter_name in self.parameters_to_fit:
1173                    self.parameters_to_fit.remove(parameter_name)
1174            self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded)
1175            # Update state stack
1176            self.updateUndo()
1177            return
1178
1179        # Extract changed value.
1180        try:
[fbfc488]1181            value = GuiUtils.toDouble(item.text())
[0261bc1]1182        except TypeError:
[b00414d]1183            # Unparsable field
1184            return
1185
[fbfc488]1186        property_index = self._magnet_model.headerData(1, model_column)-1 # Value, min, max, etc.
[b00414d]1187
1188        # Update the parameter value - note: this supports +/-inf as well
1189        self.kernel_module.params[parameter_name] = value
1190
1191        # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf]
1192        self.kernel_module.details[parameter_name][property_index] = value
1193
1194        # Force the chart update when actual parameters changed
1195        if model_column == 1:
1196            self.recalculatePlotData()
1197
1198        # Update state stack
1199        self.updateUndo()
1200
[2add354]1201    def onHelp(self):
1202        """
1203        Show the "Fitting" section of help
1204        """
[aed0532]1205        tree_location = "/user/qtgui/Perspectives/Fitting/"
[70080a0]1206
1207        # Actual file will depend on the current tab
1208        tab_id = self.tabFitting.currentIndex()
1209        helpfile = "fitting.html"
1210        if tab_id == 0:
1211            helpfile = "fitting_help.html"
1212        elif tab_id == 1:
1213            helpfile = "residuals_help.html"
1214        elif tab_id == 2:
[e90988c]1215            helpfile = "resolution.html"
[70080a0]1216        elif tab_id == 3:
[e90988c]1217            helpfile = "pd/polydispersity.html"
[70080a0]1218        elif tab_id == 4:
[e90988c]1219            helpfile = "magnetism/magnetism.html"
[70080a0]1220        help_location = tree_location + helpfile
[d6b8a1d]1221
[e90988c]1222        self.showHelp(help_location)
1223
1224    def showHelp(self, url):
1225        """
1226        Calls parent's method for opening an HTML page
1227        """
1228        self.parent.showHelp(url)
[2add354]1229
[6ff2eb3]1230    def onDisplayMagneticAngles(self):
1231        """
1232        Display a simple image showing direction of magnetic angles
1233        """
1234        self.magneticAnglesWidget.show()
1235
[0268aed]1236    def onFit(self):
1237        """
1238        Perform fitting on the current data
1239        """
[ded5e77]1240        if self.fit_started:
1241            self.stopFit()
1242            return
1243
[116dd4c1]1244        # initialize fitter constants
[f182f93]1245        fit_id = 0
1246        handler = None
1247        batch_inputs = {}
1248        batch_outputs = {}
1249        #---------------------------------
[14ec91c5]1250        if LocalConfig.USING_TWISTED:
[7adc2a8]1251            handler = None
1252            updater = None
1253        else:
1254            handler = ConsoleUpdate(parent=self.parent,
1255                                    manager=self,
1256                                    improvement_delta=0.1)
1257            updater = handler.update_fit
[f182f93]1258
[116dd4c1]1259        # Prepare the fitter object
[c6343a5]1260        try:
1261            fitters, _ = self.prepareFitters()
1262        except ValueError as ex:
1263            # This should not happen! GUI explicitly forbids this situation
[3b3b40b]1264            self.communicate.statusBarUpdateSignal.emit(str(ex))
[c6343a5]1265            return
[f182f93]1266
[d4dac80]1267        # keep local copy of kernel parameters, as they will change during the update
1268        self.kernel_module_copy = copy.deepcopy(self.kernel_module)
1269
[f182f93]1270        # Create the fitting thread, based on the fitter
[3b3b40b]1271        completefn = self.batchFittingCompleted if self.is_batch_fitting else self.fittingCompleted
[ee18d33]1272
[ded5e77]1273        self.calc_fit = FitThread(handler=handler,
[116dd4c1]1274                            fn=fitters,
1275                            batch_inputs=batch_inputs,
1276                            batch_outputs=batch_outputs,
1277                            page_id=[[self.page_id]],
1278                            updatefn=updater,
[91ad45c]1279                            completefn=completefn,
1280                            reset_flag=self.is_chain_fitting)
[7adc2a8]1281
[14ec91c5]1282        if LocalConfig.USING_TWISTED:
[7adc2a8]1283            # start the trhrhread with twisted
[ded5e77]1284            calc_thread = threads.deferToThread(self.calc_fit.compute)
[14ec91c5]1285            calc_thread.addCallback(completefn)
[7adc2a8]1286            calc_thread.addErrback(self.fitFailed)
1287        else:
1288            # Use the old python threads + Queue
[ded5e77]1289            self.calc_fit.queue()
1290            self.calc_fit.ready(2.5)
[f182f93]1291
[d7ff531]1292        self.communicate.statusBarUpdateSignal.emit('Fitting started...')
[ded5e77]1293        self.fit_started = True
[14ec91c5]1294        # Disable some elements
1295        self.setFittingStarted()
[0268aed]1296
[ded5e77]1297    def stopFit(self):
1298        """
1299        Attempt to stop the fitting thread
1300        """
1301        if self.calc_fit is None or not self.calc_fit.isrunning():
1302            return
1303        self.calc_fit.stop()
1304        #self.fit_started=False
1305        #re-enable the Fit button
1306        self.setFittingStopped()
1307
1308        msg = "Fitting cancelled."
1309        self.communicate.statusBarUpdateSignal.emit(msg)
1310
[f182f93]1311    def updateFit(self):
1312        """
1313        """
[b3e8629]1314        print("UPDATE FIT")
[0268aed]1315        pass
1316
[02ddfb4]1317    def fitFailed(self, reason):
1318        """
1319        """
[ded5e77]1320        self.setFittingStopped()
1321        msg = "Fitting failed with: "+ str(reason)
1322        self.communicate.statusBarUpdateSignal.emit(msg)
[02ddfb4]1323
[3b3b40b]1324    def batchFittingCompleted(self, result):
1325        """
1326        Send the finish message from calculate threads to main thread
1327        """
[a2cc8b97]1328        if result is None:
1329            result = tuple()
[3b3b40b]1330        self.batchFittingFinishedSignal.emit(result)
1331
[ee18d33]1332    def batchFitComplete(self, result):
1333        """
1334        Receive and display batch fitting results
1335        """
1336        #re-enable the Fit button
[14ec91c5]1337        self.setFittingStopped()
[d4dac80]1338
[a2cc8b97]1339        if len(result) == 0:
[d4dac80]1340            msg = "Fitting failed."
1341            self.communicate.statusBarUpdateSignal.emit(msg)
1342            return
1343
[3b3b40b]1344        # Show the grid panel
[d4dac80]1345        self.communicate.sendDataToGridSignal.emit(result[0])
1346
1347        elapsed = result[1]
1348        msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed)
1349        self.communicate.statusBarUpdateSignal.emit(msg)
1350
1351        # Run over the list of results and update the items
1352        for res_index, res_list in enumerate(result[0]):
1353            # results
1354            res = res_list[0]
1355            param_dict = self.paramDictFromResults(res)
1356
1357            # create local kernel_module
1358            kernel_module = FittingUtilities.updateKernelWithResults(self.kernel_module, param_dict)
1359            # pull out current data
1360            data = self._logic[res_index].data
1361
1362            # Switch indexes
1363            self.onSelectBatchFilename(res_index)
1364
1365            method = self.complete1D if isinstance(self.data, Data1D) else self.complete2D
1366            self.calculateQGridForModelExt(data=data, model=kernel_module, completefn=method, use_threads=False)
1367
1368        # Restore original kernel_module, so subsequent fits on the same model don't pick up the new params
1369        if self.kernel_module is not None:
1370            self.kernel_module = copy.deepcopy(self.kernel_module_copy)
1371
1372    def paramDictFromResults(self, results):
1373        """
1374        Given the fit results structure, pull out optimized parameters and return them as nicely
1375        formatted dict
1376        """
1377        if results.fitness is None or \
1378            not np.isfinite(results.fitness) or \
1379            np.any(results.pvec is None) or \
1380            not np.all(np.isfinite(results.pvec)):
1381            msg = "Fitting did not converge!"
1382            self.communicate.statusBarUpdateSignal.emit(msg)
1383            msg += results.mesg
1384            logging.error(msg)
1385            return
1386
1387        param_list = results.param_list # ['radius', 'radius.width']
1388        param_values = results.pvec     # array([ 0.36221662,  0.0146783 ])
1389        param_stderr = results.stderr   # array([ 1.71293015,  1.71294233])
1390        params_and_errors = list(zip(param_values, param_stderr))
1391        param_dict = dict(zip(param_list, params_and_errors))
1392
1393        return param_dict
[3b3b40b]1394
1395    def fittingCompleted(self, result):
1396        """
1397        Send the finish message from calculate threads to main thread
1398        """
[a2cc8b97]1399        if result is None:
1400            result = tuple()
[3b3b40b]1401        self.fittingFinishedSignal.emit(result)
[ee18d33]1402
[f182f93]1403    def fitComplete(self, result):
1404        """
1405        Receive and display fitting results
1406        "result" is a tuple of actual result list and the fit time in seconds
1407        """
1408        #re-enable the Fit button
[14ec91c5]1409        self.setFittingStopped()
[d7ff531]1410
[a2cc8b97]1411        if len(result) == 0:
[3b3b40b]1412            msg = "Fitting failed."
[06234fc]1413            self.communicate.statusBarUpdateSignal.emit(msg)
1414            return
[d7ff531]1415
[ee18d33]1416        res_list = result[0][0]
[f182f93]1417        res = res_list[0]
[d4dac80]1418        self.chi2 = res.fitness
1419        param_dict = self.paramDictFromResults(res)
[f182f93]1420
[14acf92]1421        if param_dict is None:
1422            return
1423
[f182f93]1424        elapsed = result[1]
[ded5e77]1425        if self.calc_fit._interrupting:
1426            msg = "Fitting cancelled by user after: %s s." % GuiUtils.formatNumber(elapsed)
1427            logging.warning("\n"+msg+"\n")
1428        else:
1429            msg = "Fitting completed successfully in: %s s." % GuiUtils.formatNumber(elapsed)
[f182f93]1430        self.communicate.statusBarUpdateSignal.emit(msg)
1431
1432        # Dictionary of fitted parameter: value, error
1433        # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)}
1434        self.updateModelFromList(param_dict)
1435
[aca8418]1436        self.updatePolyModelFromList(param_dict)
1437
[b00414d]1438        self.updateMagnetModelFromList(param_dict)
1439
[d7ff531]1440        # update charts
1441        self.onPlot()
1442
[f182f93]1443        # Read only value - we can get away by just printing it here
[2add354]1444        chi2_repr = GuiUtils.formatNumber(self.chi2, high=True)
[f182f93]1445        self.lblChi2Value.setText(chi2_repr)
1446
[116dd4c1]1447    def prepareFitters(self, fitter=None, fit_id=0):
1448        """
1449        Prepare the Fitter object for use in fitting
1450        """
1451        # fitter = None -> single/batch fitting
1452        # fitter = Fit() -> simultaneous fitting
1453
1454        # Data going in
1455        data = self.logic.data
1456        model = self.kernel_module
1457        qmin = self.q_range_min
1458        qmax = self.q_range_max
1459        params_to_fit = self.parameters_to_fit
[8e2cd79]1460        if not params_to_fit:
[c6343a5]1461            raise ValueError('Fitting requires at least one parameter to optimize.')
[116dd4c1]1462
1463        # Potential smearing added
1464        # Remember that smearing_min/max can be None ->
1465        # deal with it until Python gets discriminated unions
[9a7c81c]1466        self.addWeightingToData(data)
[116dd4c1]1467
[8b480d27]1468        # Get the constraints.
1469        constraints = self.getComplexConstraintsForModel()
1470        if fitter is None:
1471            # For single fits - check for inter-model constraints
1472            constraints = self.getConstraintsForFitting()
[3b3b40b]1473
[9a7c81c]1474        smearer = self.smearing_widget.smearer()
[116dd4c1]1475        handler = None
1476        batch_inputs = {}
1477        batch_outputs = {}
1478
1479        fitters = []
1480        for fit_index in self.all_data:
1481            fitter_single = Fit() if fitter is None else fitter
1482            data = GuiUtils.dataFromItem(fit_index)
[9a7c81c]1483            # Potential weights added directly to data
1484            self.addWeightingToData(data)
[116dd4c1]1485            try:
1486                fitter_single.set_model(model, fit_id, params_to_fit, data=data,
1487                             constraints=constraints)
1488            except ValueError as ex:
[3b3b40b]1489                raise ValueError("Setting model parameters failed with: %s" % ex)
[116dd4c1]1490
1491            qmin, qmax, _ = self.logic.computeRangeFromData(data)
1492            fitter_single.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin,
1493                            qmax=qmax)
1494            fitter_single.select_problem_for_fit(id=fit_id, value=1)
1495            if fitter is None:
1496                # Assign id to the new fitter only
1497                fitter_single.fitter_id = [self.page_id]
1498            fit_id += 1
1499            fitters.append(fitter_single)
1500
1501        return fitters, fit_id
1502
[f182f93]1503    def iterateOverModel(self, func):
1504        """
1505        Take func and throw it inside the model row loop
1506        """
[b3e8629]1507        for row_i in range(self._model_model.rowCount()):
[f182f93]1508            func(row_i)
1509
1510    def updateModelFromList(self, param_dict):
1511        """
1512        Update the model with new parameters, create the errors column
1513        """
1514        assert isinstance(param_dict, dict)
1515        if not dict:
1516            return
1517
[919d47c]1518        def updateFittedValues(row):
[f182f93]1519            # Utility function for main model update
[d7ff531]1520            # internal so can use closure for param_dict
[919d47c]1521            param_name = str(self._model_model.item(row, 0).text())
[b3e8629]1522            if param_name not in list(param_dict.keys()):
[f182f93]1523                return
1524            # modify the param value
[454670d]1525            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
[919d47c]1526            self._model_model.item(row, 1).setText(param_repr)
[f182f93]1527            if self.has_error_column:
[454670d]1528                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
[919d47c]1529                self._model_model.item(row, 2).setText(error_repr)
[f182f93]1530
[919d47c]1531        def updatePolyValues(row):
1532            # Utility function for updateof polydispersity part of the main model
1533            param_name = str(self._model_model.item(row, 0).text())+'.width'
[b3e8629]1534            if param_name not in list(param_dict.keys()):
[919d47c]1535                return
1536            # modify the param value
1537            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1538            self._model_model.item(row, 0).child(0).child(0,1).setText(param_repr)
1539
1540        def createErrorColumn(row):
[f182f93]1541            # Utility function for error column update
1542            item = QtGui.QStandardItem()
[919d47c]1543            def createItem(param_name):
[f182f93]1544                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1545                item.setText(error_repr)
[919d47c]1546            def curr_param():
1547                return str(self._model_model.item(row, 0).text())
1548
[b3e8629]1549            [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name]
[919d47c]1550
[f182f93]1551            error_column.append(item)
1552
[2da5759]1553        # block signals temporarily, so we don't end up
1554        # updating charts with every single model change on the end of fitting
1555        self._model_model.blockSignals(True)
[d7ff531]1556        self.iterateOverModel(updateFittedValues)
[919d47c]1557        self.iterateOverModel(updatePolyValues)
[2da5759]1558        self._model_model.blockSignals(False)
[f182f93]1559
1560        if self.has_error_column:
1561            return
1562
1563        error_column = []
[8f2548c]1564        self.lstParams.itemDelegate().addErrorColumn()
[d7ff531]1565        self.iterateOverModel(createErrorColumn)
[f182f93]1566
[d7ff531]1567        # switch off reponse to model change
[f182f93]1568        self._model_model.insertColumn(2, error_column)
1569        FittingUtilities.addErrorHeadersToModel(self._model_model)
[d7ff531]1570        # Adjust the table cells width.
1571        # TODO: find a way to dynamically adjust column width while resized expanding
1572        self.lstParams.resizeColumnToContents(0)
1573        self.lstParams.resizeColumnToContents(4)
1574        self.lstParams.resizeColumnToContents(5)
[4992ff2]1575        self.lstParams.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
[d7ff531]1576
1577        self.has_error_column = True
[f182f93]1578
[8e2cd79]1579    def iterateOverPolyModel(self, func):
1580        """
1581        Take func and throw it inside the poly model row loop
1582        """
1583        for row_i in range(self._poly_model.rowCount()):
1584            func(row_i)
1585
[aca8418]1586    def updatePolyModelFromList(self, param_dict):
1587        """
1588        Update the polydispersity model with new parameters, create the errors column
1589        """
1590        assert isinstance(param_dict, dict)
1591        if not dict:
1592            return
1593
1594        def updateFittedValues(row_i):
1595            # Utility function for main model update
1596            # internal so can use closure for param_dict
1597            if row_i >= self._poly_model.rowCount():
1598                return
1599            param_name = str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width'
[b3e8629]1600            if param_name not in list(param_dict.keys()):
[aca8418]1601                return
1602            # modify the param value
1603            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1604            self._poly_model.item(row_i, 1).setText(param_repr)
1605            if self.has_poly_error_column:
1606                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1607                self._poly_model.item(row_i, 2).setText(error_repr)
1608
[919d47c]1609
[aca8418]1610        def createErrorColumn(row_i):
1611            # Utility function for error column update
1612            if row_i >= self._poly_model.rowCount():
1613                return
1614            item = QtGui.QStandardItem()
[919d47c]1615
1616            def createItem(param_name):
[aca8418]1617                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1618                item.setText(error_repr)
[919d47c]1619
1620            def poly_param():
1621                return str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width'
1622
[b3e8629]1623            [createItem(param_name) for param_name in list(param_dict.keys()) if poly_param() == param_name]
[919d47c]1624
[aca8418]1625            error_column.append(item)
1626
1627        # block signals temporarily, so we don't end up
1628        # updating charts with every single model change on the end of fitting
1629        self._poly_model.blockSignals(True)
[8e2cd79]1630        self.iterateOverPolyModel(updateFittedValues)
[aca8418]1631        self._poly_model.blockSignals(False)
1632
1633        if self.has_poly_error_column:
1634            return
1635
[8eaa101]1636        self.lstPoly.itemDelegate().addErrorColumn()
[aca8418]1637        error_column = []
[8e2cd79]1638        self.iterateOverPolyModel(createErrorColumn)
[aca8418]1639
1640        # switch off reponse to model change
1641        self._poly_model.blockSignals(True)
1642        self._poly_model.insertColumn(2, error_column)
1643        self._poly_model.blockSignals(False)
1644        FittingUtilities.addErrorPolyHeadersToModel(self._poly_model)
1645
1646        self.has_poly_error_column = True
1647
[8e2cd79]1648    def iterateOverMagnetModel(self, func):
1649        """
1650        Take func and throw it inside the magnet model row loop
1651        """
1652        for row_i in range(self._model_model.rowCount()):
1653            func(row_i)
1654
[b00414d]1655    def updateMagnetModelFromList(self, param_dict):
1656        """
1657        Update the magnetic model with new parameters, create the errors column
1658        """
1659        assert isinstance(param_dict, dict)
1660        if not dict:
1661            return
[3b3b40b]1662        if self._magnet_model.rowCount() == 0:
[cee5c78]1663            return
[b00414d]1664
1665        def iterateOverMagnetModel(func):
1666            """
1667            Take func and throw it inside the magnet model row loop
1668            """
[146b614]1669            for row_i in range(self._magnet_model.rowCount()):
[b00414d]1670                func(row_i)
1671
1672        def updateFittedValues(row):
1673            # Utility function for main model update
1674            # internal so can use closure for param_dict
[cee5c78]1675            if self._magnet_model.item(row, 0) is None:
1676                return
[b00414d]1677            param_name = str(self._magnet_model.item(row, 0).text())
[b3e8629]1678            if param_name not in list(param_dict.keys()):
[b00414d]1679                return
1680            # modify the param value
1681            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1682            self._magnet_model.item(row, 1).setText(param_repr)
1683            if self.has_magnet_error_column:
1684                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1685                self._magnet_model.item(row, 2).setText(error_repr)
1686
1687        def createErrorColumn(row):
1688            # Utility function for error column update
1689            item = QtGui.QStandardItem()
1690            def createItem(param_name):
1691                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1692                item.setText(error_repr)
1693            def curr_param():
1694                return str(self._magnet_model.item(row, 0).text())
1695
[b3e8629]1696            [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name]
[b00414d]1697
1698            error_column.append(item)
1699
1700        # block signals temporarily, so we don't end up
1701        # updating charts with every single model change on the end of fitting
1702        self._magnet_model.blockSignals(True)
[8e2cd79]1703        self.iterateOverMagnetModel(updateFittedValues)
[b00414d]1704        self._magnet_model.blockSignals(False)
1705
1706        if self.has_magnet_error_column:
1707            return
1708
1709        self.lstMagnetic.itemDelegate().addErrorColumn()
1710        error_column = []
[8e2cd79]1711        self.iterateOverMagnetModel(createErrorColumn)
[b00414d]1712
1713        # switch off reponse to model change
1714        self._magnet_model.blockSignals(True)
1715        self._magnet_model.insertColumn(2, error_column)
1716        self._magnet_model.blockSignals(False)
1717        FittingUtilities.addErrorHeadersToModel(self._magnet_model)
1718
1719        self.has_magnet_error_column = True
1720
[0268aed]1721    def onPlot(self):
1722        """
1723        Plot the current set of data
1724        """
[d48cc19]1725        # Regardless of previous state, this should now be `plot show` functionality only
1726        self.cmdPlot.setText("Show Plot")
[88e1f57]1727        # Force data recalculation so existing charts are updated
1728        self.recalculatePlotData()
[d48cc19]1729        self.showPlot()
1730
[9a7c81c]1731    def onSmearingOptionsUpdate(self):
1732        """
1733        React to changes in the smearing widget
1734        """
1735        self.calculateQGridForModel()
1736
[d48cc19]1737    def recalculatePlotData(self):
1738        """
1739        Generate a new dataset for model
1740        """
[180bd54]1741        if not self.data_is_loaded:
[0268aed]1742            self.createDefaultDataset()
1743        self.calculateQGridForModel()
1744
[d48cc19]1745    def showPlot(self):
1746        """
1747        Show the current plot in MPL
1748        """
1749        # Show the chart if ready
1750        data_to_show = self.data if self.data_is_loaded else self.model_data
1751        if data_to_show is not None:
1752            self.communicate.plotRequestedSignal.emit([data_to_show])
1753
[180bd54]1754    def onOptionsUpdate(self):
[0268aed]1755        """
[180bd54]1756        Update local option values and replot
[0268aed]1757        """
[180bd54]1758        self.q_range_min, self.q_range_max, self.npts, self.log_points, self.weighting = \
1759            self.options_widget.state()
[61a92d4]1760        # set Q range labels on the main tab
1761        self.lblMinRangeDef.setText(str(self.q_range_min))
1762        self.lblMaxRangeDef.setText(str(self.q_range_max))
[d48cc19]1763        self.recalculatePlotData()
[6c8fb2c]1764
[0268aed]1765    def setDefaultStructureCombo(self):
1766        """
1767        Fill in the structure factors combo box with defaults
1768        """
1769        structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE)
1770        factors = [factor[0] for factor in structure_factor_list]
1771        factors.insert(0, STRUCTURE_DEFAULT)
1772        self.cbStructureFactor.clear()
1773        self.cbStructureFactor.addItems(sorted(factors))
1774
[4d457df]1775    def createDefaultDataset(self):
1776        """
1777        Generate default Dataset 1D/2D for the given model
1778        """
1779        # Create default datasets if no data passed
1780        if self.is2D:
[180bd54]1781            qmax = self.q_range_max/np.sqrt(2)
[4d457df]1782            qstep = self.npts
1783            self.logic.createDefault2dData(qmax, qstep, self.tab_id)
[180bd54]1784            return
1785        elif self.log_points:
1786            qmin = -10.0 if self.q_range_min < 1.e-10 else np.log10(self.q_range_min)
[1bc27f1]1787            qmax = 10.0 if self.q_range_max > 1.e10 else np.log10(self.q_range_max)
[180bd54]1788            interval = np.logspace(start=qmin, stop=qmax, num=self.npts, endpoint=True, base=10.0)
[4d457df]1789        else:
[180bd54]1790            interval = np.linspace(start=self.q_range_min, stop=self.q_range_max,
[1bc27f1]1791                                   num=self.npts, endpoint=True)
[180bd54]1792        self.logic.createDefault1dData(interval, self.tab_id)
[60af928]1793
[5236449]1794    def readCategoryInfo(self):
[60af928]1795        """
1796        Reads the categories in from file
1797        """
1798        self.master_category_dict = defaultdict(list)
1799        self.by_model_dict = defaultdict(list)
1800        self.model_enabled_dict = defaultdict(bool)
1801
[cbcdd2c]1802        categorization_file = CategoryInstaller.get_user_file()
1803        if not os.path.isfile(categorization_file):
1804            categorization_file = CategoryInstaller.get_default_file()
1805        with open(categorization_file, 'rb') as cat_file:
[60af928]1806            self.master_category_dict = json.load(cat_file)
[5236449]1807            self.regenerateModelDict()
[60af928]1808
[5236449]1809        # Load the model dict
1810        models = load_standard_models()
1811        for model in models:
1812            self.models[model.name] = model
1813
[3b3b40b]1814        self.readCustomCategoryInfo()
1815
1816    def readCustomCategoryInfo(self):
1817        """
1818        Reads the custom model category
1819        """
1820        #Looking for plugins
1821        self.plugins = list(self.custom_models.values())
1822        plugin_list = []
1823        for name, plug in self.custom_models.items():
1824            self.models[name] = plug
1825            plugin_list.append([name, True])
1826        self.master_category_dict[CATEGORY_CUSTOM] = plugin_list
1827
[5236449]1828    def regenerateModelDict(self):
[60af928]1829        """
[cbcdd2c]1830        Regenerates self.by_model_dict which has each model name as the
[60af928]1831        key and the list of categories belonging to that model
1832        along with the enabled mapping
1833        """
1834        self.by_model_dict = defaultdict(list)
1835        for category in self.master_category_dict:
1836            for (model, enabled) in self.master_category_dict[category]:
1837                self.by_model_dict[model].append(category)
1838                self.model_enabled_dict[model] = enabled
1839
[86f88d1]1840    def addBackgroundToModel(self, model):
1841        """
1842        Adds background parameter with default values to the model
1843        """
[cbcdd2c]1844        assert isinstance(model, QtGui.QStandardItemModel)
[86f88d1]1845        checked_list = ['background', '0.001', '-inf', 'inf', '1/cm']
[4d457df]1846        FittingUtilities.addCheckedListToModel(model, checked_list)
[2add354]1847        last_row = model.rowCount()-1
1848        model.item(last_row, 0).setEditable(False)
1849        model.item(last_row, 4).setEditable(False)
[86f88d1]1850
1851    def addScaleToModel(self, model):
1852        """
1853        Adds scale parameter with default values to the model
1854        """
[cbcdd2c]1855        assert isinstance(model, QtGui.QStandardItemModel)
[86f88d1]1856        checked_list = ['scale', '1.0', '0.0', 'inf', '']
[4d457df]1857        FittingUtilities.addCheckedListToModel(model, checked_list)
[2add354]1858        last_row = model.rowCount()-1
1859        model.item(last_row, 0).setEditable(False)
1860        model.item(last_row, 4).setEditable(False)
[86f88d1]1861
[9d266d2]1862    def addWeightingToData(self, data):
1863        """
1864        Adds weighting contribution to fitting data
[1bc27f1]1865        """
[e1e3e09]1866        # Send original data for weighting
[dc5ef15]1867        weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting)
[9a7c81c]1868        if self.is2D:
1869            data.err_data = weight
1870        else:
1871            data.dy = weight
1872        pass
[9d266d2]1873
[0268aed]1874    def updateQRange(self):
1875        """
1876        Updates Q Range display
1877        """
1878        if self.data_is_loaded:
1879            self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange()
1880        # set Q range labels on the main tab
1881        self.lblMinRangeDef.setText(str(self.q_range_min))
1882        self.lblMaxRangeDef.setText(str(self.q_range_max))
1883        # set Q range labels on the options tab
[180bd54]1884        self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts)
[0268aed]1885
[4d457df]1886    def SASModelToQModel(self, model_name, structure_factor=None):
[60af928]1887        """
[cbcdd2c]1888        Setting model parameters into table based on selected category
[60af928]1889        """
1890        # Crete/overwrite model items
1891        self._model_model.clear()
[5236449]1892
[fd1ae6d1]1893        # First, add parameters from the main model
1894        if model_name is not None:
1895            self.fromModelToQModel(model_name)
[5236449]1896
[fd1ae6d1]1897        # Then, add structure factor derived parameters
[cd31251]1898        if structure_factor is not None and structure_factor != "None":
[fd1ae6d1]1899            if model_name is None:
1900                # Instantiate the current sasmodel for SF-only models
1901                self.kernel_module = self.models[structure_factor]()
1902            self.fromStructureFactorToQModel(structure_factor)
[cd31251]1903        else:
[fd1ae6d1]1904            # Allow the SF combobox visibility for the given sasmodel
1905            self.enableStructureFactorControl(structure_factor)
[cd31251]1906
[fd1ae6d1]1907        # Then, add multishells
1908        if model_name is not None:
1909            # Multishell models need additional treatment
1910            self.addExtraShells()
[86f88d1]1911
[5236449]1912        # Add polydispersity to the model
[86f88d1]1913        self.setPolyModel()
[5236449]1914        # Add magnetic parameters to the model
[86f88d1]1915        self.setMagneticModel()
[5236449]1916
[a9b568c]1917        # Adjust the table cells width
1918        self.lstParams.resizeColumnToContents(0)
[4992ff2]1919        self.lstParams.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
[a9b568c]1920
[5236449]1921        # Now we claim the model has been loaded
[86f88d1]1922        self.model_is_loaded = True
[be8f4b0]1923        # Change the model name to a monicker
1924        self.kernel_module.name = self.modelName()
[9a7c81c]1925        # Update the smearing tab
1926        self.smearing_widget.updateKernelModel(kernel_model=self.kernel_module)
[86f88d1]1927
[fd1ae6d1]1928        # (Re)-create headers
1929        FittingUtilities.addHeadersToModel(self._model_model)
[6964d44]1930        self.lstParams.header().setFont(self.boldFont)
[fd1ae6d1]1931
[5236449]1932        # Update Q Ranges
1933        self.updateQRange()
1934
[fd1ae6d1]1935    def fromModelToQModel(self, model_name):
1936        """
1937        Setting model parameters into QStandardItemModel based on selected _model_
1938        """
[3b3b40b]1939        name = model_name
1940        if self.cbCategory.currentText() == CATEGORY_CUSTOM:
1941            # custom kernel load requires full path
1942            name = os.path.join(ModelUtilities.find_plugins_dir(), model_name+".py")
[060413c]1943        try:
1944            kernel_module = generate.load_kernel_module(name)
1945        except ModuleNotFoundError:
1946            # maybe it's a recategorised custom model?
1947            name = os.path.join(ModelUtilities.find_plugins_dir(), model_name+".py")
1948            # If this rises, it's a valid problem.
1949            kernel_module = generate.load_kernel_module(name)
[dc71408]1950
1951        if hasattr(kernel_module, 'parameters'):
1952            # built-in and custom models
1953            self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', []))
1954
1955        elif hasattr(kernel_module, 'model_info'):
1956            # for sum/multiply models
1957            self.model_parameters = kernel_module.model_info.parameters
1958
1959        elif hasattr(kernel_module, 'Model') and hasattr(kernel_module.Model, "_model_info"):
1960            # this probably won't work if there's no model_info, but just in case
1961            self.model_parameters = kernel_module.Model._model_info.parameters
1962        else:
1963            # no parameters - default to blank table
1964            msg = "No parameters found in model '{}'.".format(model_name)
1965            logger.warning(msg)
1966            self.model_parameters = modelinfo.ParameterTable([])
[fd1ae6d1]1967
1968        # Instantiate the current sasmodel
1969        self.kernel_module = self.models[model_name]()
1970
1971        # Explicitly add scale and background with default values
[6964d44]1972        temp_undo_state = self.undo_supported
1973        self.undo_supported = False
[fd1ae6d1]1974        self.addScaleToModel(self._model_model)
1975        self.addBackgroundToModel(self._model_model)
[6964d44]1976        self.undo_supported = temp_undo_state
[fd1ae6d1]1977
[0d13814]1978        self.shell_names = self.shellNamesList()
1979
[fd1ae6d1]1980        # Update the QModel
[aca8418]1981        new_rows = FittingUtilities.addParametersToModel(self.model_parameters, self.kernel_module, self.is2D)
1982
[fd1ae6d1]1983        for row in new_rows:
1984            self._model_model.appendRow(row)
1985        # Update the counter used for multishell display
1986        self._last_model_row = self._model_model.rowCount()
1987
1988    def fromStructureFactorToQModel(self, structure_factor):
1989        """
1990        Setting model parameters into QStandardItemModel based on selected _structure factor_
1991        """
1992        structure_module = generate.load_kernel_module(structure_factor)
1993        structure_parameters = modelinfo.make_parameter_table(getattr(structure_module, 'parameters', []))
[18d5c94a]1994
[5d1440e1]1995        structure_kernel = self.models[structure_factor]()
[18d5c94a]1996        form_kernel = self.kernel_module
[5d1440e1]1997
[18d5c94a]1998        self.kernel_module = MultiplicationModel(form_kernel, structure_kernel)
[fd1ae6d1]1999
2000        new_rows = FittingUtilities.addSimpleParametersToModel(structure_parameters, self.is2D)
2001        for row in new_rows:
2002            self._model_model.appendRow(row)
[b87dc1a]2003            # disable fitting of parameters not listed in self.kernel_module (probably radius_effective)
[18d5c94a]2004            if row[0].text() not in self.kernel_module.params.keys():
2005                row_num = self._model_model.rowCount() - 1
2006                FittingUtilities.markParameterDisabled(self._model_model, row_num)
2007
[fd1ae6d1]2008        # Update the counter used for multishell display
2009        self._last_model_row = self._model_model.rowCount()
2010
[b00414d]2011    def onMainParamsChange(self, item):
[cd31251]2012        """
2013        Callback method for updating the sasmodel parameters with the GUI values
2014        """
[cbcdd2c]2015        model_column = item.column()
[cd31251]2016
2017        if model_column == 0:
[f182f93]2018            self.checkboxSelected(item)
[2add354]2019            self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded)
[6964d44]2020            # Update state stack
2021            self.updateUndo()
[cd31251]2022            return
2023
[f182f93]2024        model_row = item.row()
2025        name_index = self._model_model.index(model_row, 0)
2026
[b00414d]2027        # Extract changed value.
[2add354]2028        try:
[fbfc488]2029            value = GuiUtils.toDouble(item.text())
[0261bc1]2030        except TypeError:
[2add354]2031            # Unparsable field
2032            return
[fbfc488]2033
2034        parameter_name = str(self._model_model.data(name_index)) # sld, background etc.
[cbcdd2c]2035
[00b3b40]2036        # Update the parameter value - note: this supports +/-inf as well
[cbcdd2c]2037        self.kernel_module.params[parameter_name] = value
2038
[8a32a6ff]2039        # Update the parameter value - note: this supports +/-inf as well
[8f2548c]2040        param_column = self.lstParams.itemDelegate().param_value
2041        min_column = self.lstParams.itemDelegate().param_min
2042        max_column = self.lstParams.itemDelegate().param_max
2043        if model_column == param_column:
[8a32a6ff]2044            self.kernel_module.setParam(parameter_name, value)
[8f2548c]2045        elif model_column == min_column:
[8a32a6ff]2046            # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf]
[8f2548c]2047            self.kernel_module.details[parameter_name][1] = value
2048        elif model_column == max_column:
2049            self.kernel_module.details[parameter_name][2] = value
2050        else:
2051            # don't update the chart
2052            return
[00b3b40]2053
2054        # TODO: magnetic params in self.kernel_module.details['M0:parameter_name'] = value
2055        # TODO: multishell params in self.kernel_module.details[??] = value
[cbcdd2c]2056
[d7ff531]2057        # Force the chart update when actual parameters changed
2058        if model_column == 1:
[d48cc19]2059            self.recalculatePlotData()
[7d077d1]2060
[2241130]2061        # Update state stack
[00b3b40]2062        self.updateUndo()
[2241130]2063
[7fd20fc]2064    def isCheckable(self, row):
2065        return self._model_model.item(row, 0).isCheckable()
2066
[f182f93]2067    def checkboxSelected(self, item):
2068        # Assure we're dealing with checkboxes
2069        if not item.isCheckable():
2070            return
2071        status = item.checkState()
2072
2073        # If multiple rows selected - toggle all of them, filtering uncheckable
2074        # Switch off signaling from the model to avoid recursion
2075        self._model_model.blockSignals(True)
2076        # Convert to proper indices and set requested enablement
[7fd20fc]2077        self.setParameterSelection(status)
2078        #[self._model_model.item(row, 0).setCheckState(status) for row in self.selectedParameters()]
[f182f93]2079        self._model_model.blockSignals(False)
2080
2081        # update the list of parameters to fit
[c1e380e]2082        main_params = self.checkedListFromModel(self._model_model)
2083        poly_params = self.checkedListFromModel(self._poly_model)
[b00414d]2084        magnet_params = self.checkedListFromModel(self._magnet_model)
2085
[c1e380e]2086        # Retrieve poly params names
[358b39d]2087        poly_params = [param.rsplit()[-1] + '.width' for param in poly_params]
[c1e380e]2088
[b00414d]2089        self.parameters_to_fit = main_params + poly_params + magnet_params
[c1e380e]2090
2091    def checkedListFromModel(self, model):
2092        """
2093        Returns list of checked parameters for given model
2094        """
2095        def isChecked(row):
2096            return model.item(row, 0).checkState() == QtCore.Qt.Checked
2097
2098        return [str(model.item(row_index, 0).text())
[b3e8629]2099                for row_index in range(model.rowCount())
[c1e380e]2100                if isChecked(row_index)]
[f182f93]2101
[6fd4e36]2102    def createNewIndex(self, fitted_data):
2103        """
2104        Create a model or theory index with passed Data1D/Data2D
2105        """
2106        if self.data_is_loaded:
[0268aed]2107            if not fitted_data.name:
2108                name = self.nameForFittedData(self.data.filename)
2109                fitted_data.title = name
2110                fitted_data.name = name
2111                fitted_data.filename = name
[7d077d1]2112                fitted_data.symbol = "Line"
[6fd4e36]2113            self.updateModelIndex(fitted_data)
2114        else:
[d6e38661]2115            name = self.nameForFittedData(self.kernel_module.id)
[0268aed]2116            fitted_data.title = name
2117            fitted_data.name = name
2118            fitted_data.filename = name
2119            fitted_data.symbol = "Line"
[6fd4e36]2120            self.createTheoryIndex(fitted_data)
2121
2122    def updateModelIndex(self, fitted_data):
2123        """
2124        Update a QStandardModelIndex containing model data
2125        """
[00b3b40]2126        name = self.nameFromData(fitted_data)
[0268aed]2127        # Make this a line if no other defined
[7d077d1]2128        if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None:
[0268aed]2129            fitted_data.symbol = 'Line'
[6fd4e36]2130        # Notify the GUI manager so it can update the main model in DataExplorer
[d4dac80]2131        GuiUtils.updateModelItemWithPlot(self.all_data[self.data_index], fitted_data, name)
[6fd4e36]2132
2133    def createTheoryIndex(self, fitted_data):
2134        """
2135        Create a QStandardModelIndex containing model data
2136        """
[00b3b40]2137        name = self.nameFromData(fitted_data)
2138        # Notify the GUI manager so it can create the theory model in DataExplorer
[b3e8629]2139        new_item = GuiUtils.createModelItemWithPlot(fitted_data, name=name)
[00b3b40]2140        self.communicate.updateTheoryFromPerspectiveSignal.emit(new_item)
2141
2142    def nameFromData(self, fitted_data):
2143        """
2144        Return name for the dataset. Terribly impure function.
2145        """
[0268aed]2146        if fitted_data.name is None:
[00b3b40]2147            name = self.nameForFittedData(self.logic.data.filename)
[0268aed]2148            fitted_data.title = name
2149            fitted_data.name = name
2150            fitted_data.filename = name
2151        else:
2152            name = fitted_data.name
[00b3b40]2153        return name
[5236449]2154
[4d457df]2155    def methodCalculateForData(self):
2156        '''return the method for data calculation'''
2157        return Calc1D if isinstance(self.data, Data1D) else Calc2D
2158
2159    def methodCompleteForData(self):
2160        '''return the method for result parsin on calc complete '''
[d4dac80]2161        return self.completed1D if isinstance(self.data, Data1D) else self.completed2D
[4d457df]2162
[d4dac80]2163    def calculateQGridForModelExt(self, data=None, model=None, completefn=None, use_threads=True):
[86f88d1]2164        """
[d4dac80]2165        Wrapper for Calc1D/2D calls
[86f88d1]2166        """
[d4dac80]2167        if data is None:
2168            data = self.data
2169        if model is None:
2170            model = self.kernel_module
2171        if completefn is None:
2172            completefn = self.methodCompleteForData()
[9a7c81c]2173        smearer = self.smearing_widget.smearer()
[4d457df]2174        # Awful API to a backend method.
[d4dac80]2175        calc_thread = self.methodCalculateForData()(data=data,
2176                                               model=model,
[1bc27f1]2177                                               page_id=0,
2178                                               qmin=self.q_range_min,
2179                                               qmax=self.q_range_max,
[9a7c81c]2180                                               smearer=smearer,
[1bc27f1]2181                                               state=None,
2182                                               weight=None,
2183                                               fid=None,
2184                                               toggle_mode_on=False,
[d4dac80]2185                                               completefn=completefn,
[1bc27f1]2186                                               update_chisqr=True,
2187                                               exception_handler=self.calcException,
2188                                               source=None)
[d4dac80]2189        if use_threads:
2190            if LocalConfig.USING_TWISTED:
2191                # start the thread with twisted
2192                thread = threads.deferToThread(calc_thread.compute)
2193                thread.addCallback(completefn)
2194                thread.addErrback(self.calculateDataFailed)
2195            else:
2196                # Use the old python threads + Queue
2197                calc_thread.queue()
2198                calc_thread.ready(2.5)
2199        else:
2200            results = calc_thread.compute()
2201            completefn(results)
[4d457df]2202
[d4dac80]2203    def calculateQGridForModel(self):
2204        """
2205        Prepare the fitting data object, based on current ModelModel
2206        """
2207        if self.kernel_module is None:
2208            return
2209        self.calculateQGridForModelExt()
[6964d44]2210
[aca8418]2211    def calculateDataFailed(self, reason):
[6964d44]2212        """
[c1e380e]2213        Thread returned error
[6964d44]2214        """
[b3e8629]2215        print("Calculate Data failed with ", reason)
[5236449]2216
[d4dac80]2217    def completed1D(self, return_data):
2218        self.Calc1DFinishedSignal.emit(return_data)
2219
2220    def completed2D(self, return_data):
2221        self.Calc2DFinishedSignal.emit(return_data)
2222
[cbcdd2c]2223    def complete1D(self, return_data):
[5236449]2224        """
[4d457df]2225        Plot the current 1D data
2226        """
[d48cc19]2227        fitted_data = self.logic.new1DPlot(return_data, self.tab_id)
2228        self.calculateResiduals(fitted_data)
2229        self.model_data = fitted_data
[cbcdd2c]2230
2231    def complete2D(self, return_data):
2232        """
[4d457df]2233        Plot the current 2D data
2234        """
[6fd4e36]2235        fitted_data = self.logic.new2DPlot(return_data)
2236        self.calculateResiduals(fitted_data)
[d48cc19]2237        self.model_data = fitted_data
[6fd4e36]2238
2239    def calculateResiduals(self, fitted_data):
2240        """
2241        Calculate and print Chi2 and display chart of residuals
2242        """
2243        # Create a new index for holding data
[7d077d1]2244        fitted_data.symbol = "Line"
[6964d44]2245
2246        # Modify fitted_data with weighting
2247        self.addWeightingToData(fitted_data)
2248
[6fd4e36]2249        self.createNewIndex(fitted_data)
2250        # Calculate difference between return_data and logic.data
[2add354]2251        self.chi2 = FittingUtilities.calculateChi2(fitted_data, self.logic.data)
[6fd4e36]2252        # Update the control
[2add354]2253        chi2_repr = "---" if self.chi2 is None else GuiUtils.formatNumber(self.chi2, high=True)
[f182f93]2254        self.lblChi2Value.setText(chi2_repr)
[cbcdd2c]2255
[d48cc19]2256        self.communicate.plotUpdateSignal.emit([fitted_data])
2257
[0268aed]2258        # Plot residuals if actual data
[aca8418]2259        if not self.data_is_loaded:
2260            return
2261
2262        residuals_plot = FittingUtilities.plotResiduals(self.data, fitted_data)
2263        residuals_plot.id = "Residual " + residuals_plot.id
2264        self.createNewIndex(residuals_plot)
[5236449]2265
[3d18691]2266    def onCategoriesChanged(self):
2267            """
2268            Reload the category/model comboboxes
2269            """
2270            # Store the current combo indices
2271            current_cat = self.cbCategory.currentText()
2272            current_model = self.cbModel.currentText()
2273
2274            # reread the category file and repopulate the combo
2275            self.cbCategory.blockSignals(True)
2276            self.cbCategory.clear()
2277            self.readCategoryInfo()
2278            self.initializeCategoryCombo()
2279
2280            # Scroll back to the original index in Categories
2281            new_index = self.cbCategory.findText(current_cat)
2282            if new_index != -1:
2283                self.cbCategory.setCurrentIndex(new_index)
2284            self.cbCategory.blockSignals(False)
2285            # ...and in the Models
2286            self.cbModel.blockSignals(True)
2287            new_index = self.cbModel.findText(current_model)
2288            if new_index != -1:
2289                self.cbModel.setCurrentIndex(new_index)
2290            self.cbModel.blockSignals(False)
2291
2292            return
2293
[5236449]2294    def calcException(self, etype, value, tb):
2295        """
[c1e380e]2296        Thread threw an exception.
[5236449]2297        """
[c1e380e]2298        # TODO: remimplement thread cancellation
[5236449]2299        logging.error("".join(traceback.format_exception(etype, value, tb)))
[60af928]2300
2301    def setTableProperties(self, table):
2302        """
2303        Setting table properties
2304        """
2305        # Table properties
2306        table.verticalHeader().setVisible(False)
2307        table.setAlternatingRowColors(True)
[4992ff2]2308        table.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
2309        table.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows)
[f46f6dc]2310        table.resizeColumnsToContents()
2311
[60af928]2312        # Header
2313        header = table.horizontalHeader()
[4992ff2]2314        header.setSectionResizeMode(QtWidgets.QHeaderView.ResizeToContents)
2315        header.ResizeMode(QtWidgets.QHeaderView.Interactive)
[f46f6dc]2316
[4992ff2]2317        # Qt5: the following 2 lines crash - figure out why!
[e43fc91]2318        # Resize column 0 and 7 to content
[4992ff2]2319        #header.setSectionResizeMode(0, QtWidgets.QHeaderView.ResizeToContents)
2320        #header.setSectionResizeMode(7, QtWidgets.QHeaderView.ResizeToContents)
[60af928]2321
2322    def setPolyModel(self):
2323        """
2324        Set polydispersity values
2325        """
[86f88d1]2326        if not self.model_parameters:
2327            return
2328        self._poly_model.clear()
2329
[e43fc91]2330        [self.setPolyModelParameters(i, param) for i, param in \
[aca8418]2331            enumerate(self.model_parameters.form_volume_parameters) if param.polydisperse]
[4d457df]2332        FittingUtilities.addPolyHeadersToModel(self._poly_model)
[60af928]2333
[e43fc91]2334    def setPolyModelParameters(self, i, param):
[aca8418]2335        """
[0d13814]2336        Standard of multishell poly parameter driver
[aca8418]2337        """
[0d13814]2338        param_name = param.name
2339        # see it the parameter is multishell
[06b0138]2340        if '[' in param.name:
[0d13814]2341            # Skip empty shells
2342            if self.current_shell_displayed == 0:
2343                return
2344            else:
2345                # Create as many entries as current shells
[b3e8629]2346                for ishell in range(1, self.current_shell_displayed+1):
[0d13814]2347                    # Remove [n] and add the shell numeral
2348                    name = param_name[0:param_name.index('[')] + str(ishell)
[e43fc91]2349                    self.addNameToPolyModel(i, name)
[0d13814]2350        else:
2351            # Just create a simple param entry
[e43fc91]2352            self.addNameToPolyModel(i, param_name)
[0d13814]2353
[e43fc91]2354    def addNameToPolyModel(self, i, param_name):
[0d13814]2355        """
2356        Creates a checked row in the poly model with param_name
2357        """
[144ec831]2358        # Polydisp. values from the sasmodel
[0d13814]2359        width = self.kernel_module.getParam(param_name + '.width')
2360        npts = self.kernel_module.getParam(param_name + '.npts')
2361        nsigs = self.kernel_module.getParam(param_name + '.nsigmas')
2362        _, min, max = self.kernel_module.details[param_name]
[144ec831]2363
2364        # Construct a row with polydisp. related variable.
2365        # This will get added to the polydisp. model
2366        # Note: last argument needs extra space padding for decent display of the control
[0d13814]2367        checked_list = ["Distribution of " + param_name, str(width),
2368                        str(min), str(max),
[e43fc91]2369                        str(npts), str(nsigs), "gaussian      ",'']
[aca8418]2370        FittingUtilities.addCheckedListToModel(self._poly_model, checked_list)
2371
2372        # All possible polydisp. functions as strings in combobox
[4992ff2]2373        func = QtWidgets.QComboBox()
[b3e8629]2374        func.addItems([str(name_disp) for name_disp in POLYDISPERSITY_MODELS.keys()])
[e43fc91]2375        # Set the default index
[aca8418]2376        func.setCurrentIndex(func.findText(DEFAULT_POLYDISP_FUNCTION))
[e43fc91]2377        ind = self._poly_model.index(i,self.lstPoly.itemDelegate().poly_function)
2378        self.lstPoly.setIndexWidget(ind, func)
2379        func.currentIndexChanged.connect(lambda: self.onPolyComboIndexChange(str(func.currentText()), i))
2380
2381    def onPolyFilenameChange(self, row_index):
2382        """
2383        Respond to filename_updated signal from the delegate
2384        """
2385        # For the given row, invoke the "array" combo handler
2386        array_caption = 'array'
[8222f171]2387
[e43fc91]2388        # Get the combo box reference
2389        ind = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
2390        widget = self.lstPoly.indexWidget(ind)
[8222f171]2391
[e43fc91]2392        # Update the combo box so it displays "array"
2393        widget.blockSignals(True)
2394        widget.setCurrentIndex(self.lstPoly.itemDelegate().POLYDISPERSE_FUNCTIONS.index(array_caption))
2395        widget.blockSignals(False)
[aca8418]2396
[8222f171]2397        # Invoke the file reader
2398        self.onPolyComboIndexChange(array_caption, row_index)
2399
[aca8418]2400    def onPolyComboIndexChange(self, combo_string, row_index):
2401        """
2402        Modify polydisp. defaults on function choice
2403        """
[144ec831]2404        # Get npts/nsigs for current selection
[aca8418]2405        param = self.model_parameters.form_volume_parameters[row_index]
[e43fc91]2406        file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
2407        combo_box = self.lstPoly.indexWidget(file_index)
[aca8418]2408
[919d47c]2409        def updateFunctionCaption(row):
2410            # Utility function for update of polydispersity function name in the main model
[1643d8ed]2411            param_name = str(self._model_model.item(row, 0).text())
[919d47c]2412            if param_name !=  param.name:
2413                return
[144ec831]2414            # Modify the param value
[919d47c]2415            self._model_model.item(row, 0).child(0).child(0,4).setText(combo_string)
2416
[aca8418]2417        if combo_string == 'array':
2418            try:
[e43fc91]2419                self.loadPolydispArray(row_index)
[919d47c]2420                # Update main model for display
2421                self.iterateOverModel(updateFunctionCaption)
[e43fc91]2422                # disable the row
2423                lo = self.lstPoly.itemDelegate().poly_pd
2424                hi = self.lstPoly.itemDelegate().poly_function
[b3e8629]2425                [self._poly_model.item(row_index, i).setEnabled(False) for i in range(lo, hi)]
[aca8418]2426                return
[e43fc91]2427            except IOError:
[8222f171]2428                combo_box.setCurrentIndex(self.orig_poly_index)
[e43fc91]2429                # Pass for cancel/bad read
2430                pass
[aca8418]2431
2432        # Enable the row in case it was disabled by Array
[919d47c]2433        self._poly_model.blockSignals(True)
[e43fc91]2434        max_range = self.lstPoly.itemDelegate().poly_filename
[b3e8629]2435        [self._poly_model.item(row_index, i).setEnabled(True) for i in range(7)]
[e43fc91]2436        file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
[b3e8629]2437        self._poly_model.setData(file_index, "")
[919d47c]2438        self._poly_model.blockSignals(False)
[aca8418]2439
[8eaa101]2440        npts_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_npts)
2441        nsigs_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_nsigs)
[aca8418]2442
2443        npts = POLYDISPERSITY_MODELS[str(combo_string)].default['npts']
2444        nsigs = POLYDISPERSITY_MODELS[str(combo_string)].default['nsigmas']
2445
[b3e8629]2446        self._poly_model.setData(npts_index, npts)
2447        self._poly_model.setData(nsigs_index, nsigs)
[aca8418]2448
[919d47c]2449        self.iterateOverModel(updateFunctionCaption)
[8222f171]2450        self.orig_poly_index = combo_box.currentIndex()
[919d47c]2451
[e43fc91]2452    def loadPolydispArray(self, row_index):
[aca8418]2453        """
2454        Show the load file dialog and loads requested data into state
2455        """
[4992ff2]2456        datafile = QtWidgets.QFileDialog.getOpenFileName(
2457            self, "Choose a weight file", "", "All files (*.*)", None,
[fbfc488]2458            QtWidgets.QFileDialog.DontUseNativeDialog)[0]
[72f4834]2459
[fbfc488]2460        if not datafile:
[aca8418]2461            logging.info("No weight data chosen.")
[1643d8ed]2462            raise IOError
[72f4834]2463
[aca8418]2464        values = []
2465        weights = []
[919d47c]2466        def appendData(data_tuple):
2467            """
2468            Fish out floats from a tuple of strings
2469            """
2470            try:
2471                values.append(float(data_tuple[0]))
2472                weights.append(float(data_tuple[1]))
2473            except (ValueError, IndexError):
2474                # just pass through if line with bad data
2475                return
2476
[aca8418]2477        with open(datafile, 'r') as column_file:
2478            column_data = [line.rstrip().split() for line in column_file.readlines()]
[919d47c]2479            [appendData(line) for line in column_data]
[aca8418]2480
[1643d8ed]2481        # If everything went well - update the sasmodel values
[aca8418]2482        self.disp_model = POLYDISPERSITY_MODELS['array']()
2483        self.disp_model.set_weights(np.array(values), np.array(weights))
[e43fc91]2484        # + update the cell with filename
2485        fname = os.path.basename(str(datafile))
2486        fname_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
[b3e8629]2487        self._poly_model.setData(fname_index, fname)
[aca8418]2488
[60af928]2489    def setMagneticModel(self):
2490        """
2491        Set magnetism values on model
2492        """
[86f88d1]2493        if not self.model_parameters:
2494            return
2495        self._magnet_model.clear()
[aca8418]2496        [self.addCheckedMagneticListToModel(param, self._magnet_model) for param in \
[06b0138]2497            self.model_parameters.call_parameters if param.type == 'magnetic']
[4d457df]2498        FittingUtilities.addHeadersToModel(self._magnet_model)
[60af928]2499
[0d13814]2500    def shellNamesList(self):
2501        """
2502        Returns list of names of all multi-shell parameters
2503        E.g. for sld[n], radius[n], n=1..3 it will return
2504        [sld1, sld2, sld3, radius1, radius2, radius3]
2505        """
2506        multi_names = [p.name[:p.name.index('[')] for p in self.model_parameters.iq_parameters if '[' in p.name]
2507        top_index = self.kernel_module.multiplicity_info.number
2508        shell_names = []
[b3e8629]2509        for i in range(1, top_index+1):
[0d13814]2510            for name in multi_names:
2511                shell_names.append(name+str(i))
2512        return shell_names
2513
[aca8418]2514    def addCheckedMagneticListToModel(self, param, model):
2515        """
2516        Wrapper for model update with a subset of magnetic parameters
2517        """
[0d13814]2518        if param.name[param.name.index(':')+1:] in self.shell_names:
2519            # check if two-digit shell number
2520            try:
2521                shell_index = int(param.name[-2:])
2522            except ValueError:
2523                shell_index = int(param.name[-1:])
2524
2525            if shell_index > self.current_shell_displayed:
2526                return
2527
[aca8418]2528        checked_list = [param.name,
2529                        str(param.default),
2530                        str(param.limits[0]),
2531                        str(param.limits[1]),
2532                        param.units]
2533
2534        FittingUtilities.addCheckedListToModel(model, checked_list)
2535
[fd1ae6d1]2536    def enableStructureFactorControl(self, structure_factor):
[cd31251]2537        """
2538        Add structure factors to the list of parameters
2539        """
[fd1ae6d1]2540        if self.kernel_module.is_form_factor or structure_factor == 'None':
[cd31251]2541            self.enableStructureCombo()
2542        else:
2543            self.disableStructureCombo()
2544
[60af928]2545    def addExtraShells(self):
2546        """
[f46f6dc]2547        Add a combobox for multiple shell display
[60af928]2548        """
[4d457df]2549        param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters)
[f46f6dc]2550
2551        if param_length == 0:
2552            return
2553
[6f7f652]2554        # cell 1: variable name
[f46f6dc]2555        item1 = QtGui.QStandardItem(param_name)
2556
[4992ff2]2557        func = QtWidgets.QComboBox()
[b1e36a3]2558        # Available range of shells displayed in the combobox
[b3e8629]2559        func.addItems([str(i) for i in range(param_length+1)])
[a9b568c]2560
[b1e36a3]2561        # Respond to index change
[86f88d1]2562        func.currentIndexChanged.connect(self.modifyShellsInList)
[60af928]2563
[6f7f652]2564        # cell 2: combobox
[f46f6dc]2565        item2 = QtGui.QStandardItem()
2566        self._model_model.appendRow([item1, item2])
[60af928]2567
[6f7f652]2568        # Beautify the row:  span columns 2-4
[60af928]2569        shell_row = self._model_model.rowCount()
[f46f6dc]2570        shell_index = self._model_model.index(shell_row-1, 1)
[86f88d1]2571
[4d457df]2572        self.lstParams.setIndexWidget(shell_index, func)
[86f88d1]2573        self._last_model_row = self._model_model.rowCount()
2574
[a9b568c]2575        # Set the index to the state-kept value
2576        func.setCurrentIndex(self.current_shell_displayed
2577                             if self.current_shell_displayed < func.count() else 0)
2578
[86f88d1]2579    def modifyShellsInList(self, index):
2580        """
2581        Add/remove additional multishell parameters
2582        """
2583        # Find row location of the combobox
2584        last_row = self._last_model_row
2585        remove_rows = self._model_model.rowCount() - last_row
2586
2587        if remove_rows > 1:
2588            self._model_model.removeRows(last_row, remove_rows)
2589
[4d457df]2590        FittingUtilities.addShellsToModel(self.model_parameters, self._model_model, index)
[a9b568c]2591        self.current_shell_displayed = index
[60af928]2592
[0d13814]2593        # Update relevant models
2594        self.setPolyModel()
2595        self.setMagneticModel()
2596
[14ec91c5]2597    def setFittingStarted(self):
2598        """
[ded5e77]2599        Set buttion caption on fitting start
[14ec91c5]2600        """
[ded5e77]2601        # Notify the user that fitting is being run
2602        # Allow for stopping the job
2603        self.cmdFit.setStyleSheet('QPushButton {color: red;}')
2604        self.cmdFit.setText('Stop fit')
[14ec91c5]2605
2606    def setFittingStopped(self):
2607        """
[ded5e77]2608        Set button caption on fitting stop
[14ec91c5]2609        """
[ded5e77]2610        # Notify the user that fitting is available
2611        self.cmdFit.setStyleSheet('QPushButton {color: black;}')
[14ec91c5]2612        self.cmdFit.setText("Fit")
[ded5e77]2613        self.fit_started = False
[14ec91c5]2614
[672b8ab]2615    def readFitPage(self, fp):
2616        """
2617        Read in state from a fitpage object and update GUI
2618        """
2619        assert isinstance(fp, FitPage)
2620        # Main tab info
2621        self.logic.data.filename = fp.filename
2622        self.data_is_loaded = fp.data_is_loaded
2623        self.chkPolydispersity.setCheckState(fp.is_polydisperse)
2624        self.chkMagnetism.setCheckState(fp.is_magnetic)
2625        self.chk2DView.setCheckState(fp.is2D)
2626
2627        # Update the comboboxes
2628        self.cbCategory.setCurrentIndex(self.cbCategory.findText(fp.current_category))
2629        self.cbModel.setCurrentIndex(self.cbModel.findText(fp.current_model))
2630        if fp.current_factor:
2631            self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(fp.current_factor))
2632
2633        self.chi2 = fp.chi2
2634
2635        # Options tab
2636        self.q_range_min = fp.fit_options[fp.MIN_RANGE]
2637        self.q_range_max = fp.fit_options[fp.MAX_RANGE]
2638        self.npts = fp.fit_options[fp.NPTS]
2639        self.log_points = fp.fit_options[fp.LOG_POINTS]
2640        self.weighting = fp.fit_options[fp.WEIGHTING]
2641
2642        # Models
[d60da0c]2643        self._model_model = fp.model_model
2644        self._poly_model = fp.poly_model
2645        self._magnet_model = fp.magnetism_model
[672b8ab]2646
2647        # Resolution tab
2648        smearing = fp.smearing_options[fp.SMEARING_OPTION]
2649        accuracy = fp.smearing_options[fp.SMEARING_ACCURACY]
2650        smearing_min = fp.smearing_options[fp.SMEARING_MIN]
2651        smearing_max = fp.smearing_options[fp.SMEARING_MAX]
2652        self.smearing_widget.setState(smearing, accuracy, smearing_min, smearing_max)
2653
2654        # TODO: add polidyspersity and magnetism
2655
2656    def saveToFitPage(self, fp):
2657        """
2658        Write current state to the given fitpage
2659        """
2660        assert isinstance(fp, FitPage)
2661
2662        # Main tab info
2663        fp.filename = self.logic.data.filename
2664        fp.data_is_loaded = self.data_is_loaded
2665        fp.is_polydisperse = self.chkPolydispersity.isChecked()
2666        fp.is_magnetic = self.chkMagnetism.isChecked()
2667        fp.is2D = self.chk2DView.isChecked()
2668        fp.data = self.data
2669
2670        # Use current models - they contain all the required parameters
2671        fp.model_model = self._model_model
2672        fp.poly_model = self._poly_model
2673        fp.magnetism_model = self._magnet_model
2674
2675        if self.cbCategory.currentIndex() != 0:
2676            fp.current_category = str(self.cbCategory.currentText())
2677            fp.current_model = str(self.cbModel.currentText())
2678
2679        if self.cbStructureFactor.isEnabled() and self.cbStructureFactor.currentIndex() != 0:
2680            fp.current_factor = str(self.cbStructureFactor.currentText())
2681        else:
2682            fp.current_factor = ''
2683
2684        fp.chi2 = self.chi2
2685        fp.parameters_to_fit = self.parameters_to_fit
[6964d44]2686        fp.kernel_module = self.kernel_module
[672b8ab]2687
[6ff2eb3]2688        # Algorithm options
2689        # fp.algorithm = self.parent.fit_options.selected_id
2690
[672b8ab]2691        # Options tab
2692        fp.fit_options[fp.MIN_RANGE] = self.q_range_min
2693        fp.fit_options[fp.MAX_RANGE] = self.q_range_max
2694        fp.fit_options[fp.NPTS] = self.npts
2695        #fp.fit_options[fp.NPTS_FIT] = self.npts_fit
2696        fp.fit_options[fp.LOG_POINTS] = self.log_points
2697        fp.fit_options[fp.WEIGHTING] = self.weighting
2698
2699        # Resolution tab
2700        smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state()
2701        fp.smearing_options[fp.SMEARING_OPTION] = smearing
2702        fp.smearing_options[fp.SMEARING_ACCURACY] = accuracy
2703        fp.smearing_options[fp.SMEARING_MIN] = smearing_min
2704        fp.smearing_options[fp.SMEARING_MAX] = smearing_max
2705
2706        # TODO: add polidyspersity and magnetism
2707
[00b3b40]2708
2709    def updateUndo(self):
2710        """
2711        Create a new state page and add it to the stack
2712        """
2713        if self.undo_supported:
2714            self.pushFitPage(self.currentState())
2715
[672b8ab]2716    def currentState(self):
2717        """
2718        Return fit page with current state
2719        """
2720        new_page = FitPage()
2721        self.saveToFitPage(new_page)
2722
2723        return new_page
2724
2725    def pushFitPage(self, new_page):
2726        """
2727        Add a new fit page object with current state
2728        """
[6011788]2729        self.page_stack.append(new_page)
[672b8ab]2730
2731    def popFitPage(self):
2732        """
2733        Remove top fit page from stack
2734        """
[6011788]2735        if self.page_stack:
2736            self.page_stack.pop()
[672b8ab]2737
[57be490]2738    def getReport(self):
2739        """
2740        Create and return HTML report with parameters and charts
2741        """
2742        index = None
2743        if self.all_data:
2744            index = self.all_data[self.data_index]
2745        report_logic = ReportPageLogic(self,
2746                                       kernel_module=self.kernel_module,
2747                                       data=self.data,
2748                                       index=index,
2749                                       model=self._model_model)
2750
2751        return report_logic.reportList()
2752
2753    def savePageState(self):
2754        """
2755        Create and serialize local PageState
2756        """
2757        from sas.sascalc.fit.pagestate import Reader
2758        model = self.kernel_module
2759
2760        # Old style PageState object
2761        state = PageState(model=model, data=self.data)
2762
2763        # Add parameter data to the state
2764        self.getCurrentFitState(state)
2765
2766        # Create the filewriter, aptly named 'Reader'
2767        state_reader = Reader(self.loadPageStateCallback)
2768        filepath = self.saveAsAnalysisFile()
[10fee37]2769        if filepath is None or filepath == "":
[57be490]2770            return
2771        state_reader.write(filename=filepath, fitstate=state)
2772        pass
2773
2774    def saveAsAnalysisFile(self):
2775        """
2776        Show the save as... dialog and return the chosen filepath
2777        """
2778        default_name = "FitPage"+str(self.tab_id)+".fitv"
2779
2780        wildcard = "fitv files (*.fitv)"
2781        kwargs = {
2782            'caption'   : 'Save As',
2783            'directory' : default_name,
2784            'filter'    : wildcard,
2785            'parent'    : None,
2786        }
2787        # Query user for filename.
2788        filename_tuple = QtWidgets.QFileDialog.getSaveFileName(**kwargs)
2789        filename = filename_tuple[0]
2790        return filename
2791
2792    def loadPageStateCallback(self,state=None, datainfo=None, format=None):
2793        """
2794        This is a callback method called from the CANSAS reader.
2795        We need the instance of this reader only for writing out a file,
2796        so there's nothing here.
2797        Until Load Analysis is implemented, that is.
2798        """
2799        pass
2800
2801    def loadPageState(self, pagestate=None):
2802        """
2803        Load the PageState object and update the current widget
2804        """
2805        pass
2806
2807    def getCurrentFitState(self, state=None):
2808        """
2809        Store current state for fit_page
2810        """
2811        # save model option
2812        #if self.model is not None:
2813        #    self.disp_list = self.getDispParamList()
2814        #    state.disp_list = copy.deepcopy(self.disp_list)
2815        #    #state.model = self.model.clone()
2816
2817        # Comboboxes
2818        state.categorycombobox = self.cbCategory.currentText()
2819        state.formfactorcombobox = self.cbModel.currentText()
2820        if self.cbStructureFactor.isEnabled():
[10fee37]2821            state.structurecombobox = self.cbStructureFactor.currentText()
[57be490]2822        state.tcChi = self.chi2
2823
2824        state.enable2D = self.is2D
2825
2826        #state.weights = copy.deepcopy(self.weights)
2827        # save data
2828        state.data = copy.deepcopy(self.data)
2829
2830        # save plotting range
2831        state.qmin = self.q_range_min
2832        state.qmax = self.q_range_max
2833        state.npts = self.npts
2834
2835        #    self.state.enable_disp = self.enable_disp.GetValue()
2836        #    self.state.disable_disp = self.disable_disp.GetValue()
2837
2838        #    self.state.enable_smearer = \
2839        #                        copy.deepcopy(self.enable_smearer.GetValue())
2840        #    self.state.disable_smearer = \
2841        #                        copy.deepcopy(self.disable_smearer.GetValue())
2842
2843        #self.state.pinhole_smearer = \
2844        #                        copy.deepcopy(self.pinhole_smearer.GetValue())
2845        #self.state.slit_smearer = copy.deepcopy(self.slit_smearer.GetValue())
2846        #self.state.dI_noweight = copy.deepcopy(self.dI_noweight.GetValue())
2847        #self.state.dI_didata = copy.deepcopy(self.dI_didata.GetValue())
2848        #self.state.dI_sqrdata = copy.deepcopy(self.dI_sqrdata.GetValue())
2849        #self.state.dI_idata = copy.deepcopy(self.dI_idata.GetValue())
2850
2851        p = self.model_parameters
2852        # save checkbutton state and txtcrtl values
[10fee37]2853        state.parameters = FittingUtilities.getStandardParam(self._model_model)
2854        state.orientation_params_disp = FittingUtilities.getOrientationParam(self.kernel_module)
[57be490]2855
2856        #self._copy_parameters_state(self.orientation_params_disp, self.state.orientation_params_disp)
2857        #self._copy_parameters_state(self.parameters, self.state.parameters)
2858        #self._copy_parameters_state(self.fittable_param, self.state.fittable_param)
2859        #self._copy_parameters_state(self.fixed_param, self.state.fixed_param)
2860
[8e2cd79]2861    def onParameterCopy(self, format=None):
2862        """
2863        Copy current parameters into the clipboard
2864        """
2865        # run a loop over all parameters and pull out
2866        # first - regular params
2867        param_list = []
2868        def gatherParams(row):
2869            """
2870            Create list of main parameters based on _model_model
2871            """
2872            param_name = str(self._model_model.item(row, 0).text())
2873            param_checked = str(self._model_model.item(row, 0).checkState() == QtCore.Qt.Checked)
2874            param_value = str(self._model_model.item(row, 1).text())
2875            param_error = None
2876            column_offset = 0
2877            if self.has_error_column:
2878                param_error = str(self._model_model.item(row, 2).text())
2879                column_offset = 1
2880            param_min = str(self._model_model.item(row, 2+column_offset).text())
2881            param_max = str(self._model_model.item(row, 3+column_offset).text())
2882            param_list.append([param_name, param_checked, param_value, param_error, param_min, param_max])
2883
2884        def gatherPolyParams(row):
2885            """
2886            Create list of polydisperse parameters based on _poly_model
2887            """
2888            param_name = str(self._poly_model.item(row, 0).text()).split()[-1]
2889            param_checked = str(self._poly_model.item(row, 0).checkState() == QtCore.Qt.Checked)
2890            param_value = str(self._poly_model.item(row, 1).text())
2891            param_error = None
2892            column_offset = 0
2893            if self.has_poly_error_column:
2894                param_error = str(self._poly_model.item(row, 2).text())
2895                column_offset = 1
2896            param_min   = str(self._poly_model.item(row, 2+column_offset).text())
2897            param_max   = str(self._poly_model.item(row, 3+column_offset).text())
2898            param_npts  = str(self._poly_model.item(row, 4+column_offset).text())
2899            param_nsigs = str(self._poly_model.item(row, 5+column_offset).text())
2900            param_fun   = str(self._poly_model.item(row, 6+column_offset).text()).rstrip()
2901            # width
2902            name = param_name+".width"
2903            param_list.append([name, param_checked, param_value, param_error,
2904                                param_npts, param_nsigs, param_min, param_max, param_fun])
2905
2906        def gatherMagnetParams(row):
2907            """
2908            Create list of magnetic parameters based on _magnet_model
2909            """
2910            param_name = str(self._magnet_model.item(row, 0).text())
2911            param_checked = str(self._magnet_model.item(row, 0).checkState() == QtCore.Qt.Checked)
2912            param_value = str(self._magnet_model.item(row, 1).text())
2913            param_error = None
2914            column_offset = 0
2915            if self.has_magnet_error_column:
2916                param_error = str(self._magnet_model.item(row, 2).text())
2917                column_offset = 1
2918            param_min = str(self._magnet_model.item(row, 2+column_offset).text())
2919            param_max = str(self._magnet_model.item(row, 3+column_offset).text())
2920            param_list.append([param_name, param_checked, param_value, param_error, param_min, param_max])
2921
2922        self.iterateOverModel(gatherParams)
2923        if self.chkPolydispersity.isChecked():
2924            self.iterateOverPolyModel(gatherPolyParams)
2925        if self.chkMagnetism.isChecked() and self.chkMagnetism.isEnabled():
[b259485]2926            self.iterateOverMagnetModel(gatherMagnetParams)
[8e2cd79]2927
2928        if format=="":
2929            formatted_output = FittingUtilities.formatParameters(param_list)
2930        elif format == "Excel":
2931            formatted_output = FittingUtilities.formatParametersExcel(param_list)
2932        elif format == "Latex":
2933            formatted_output = FittingUtilities.formatParametersLatex(param_list)
2934        else:
2935            raise AttributeError("Bad format specifier.")
2936
2937        # Dump formatted_output to the clipboard
2938        cb = QtWidgets.QApplication.clipboard()
2939        cb.setText(formatted_output)
2940
2941    def onParameterPaste(self):
2942        """
2943        Use the clipboard to update fit state
2944        """
2945        # Check if the clipboard contains right stuff
2946        cb = QtWidgets.QApplication.clipboard()
2947        cb_text = cb.text()
2948
2949        context = {}
2950        # put the text into dictionary
2951        lines = cb_text.split(':')
2952        if lines[0] != 'sasview_parameter_values':
2953            return False
2954        for line in lines[1:-1]:
2955            if len(line) != 0:
2956                item = line.split(',')
2957                check = item[1]
2958                name = item[0]
2959                value = item[2]
2960                # Transfer the text to content[dictionary]
2961                context[name] = [check, value]
2962
2963                # limits
2964                limit_lo = item[3]
2965                context[name].append(limit_lo)
2966                limit_hi = item[4]
2967                context[name].append(limit_hi)
2968
2969                # Polydisp
2970                if len(item) > 5:
2971                    value = item[5]
2972                    context[name].append(value)
2973                    try:
2974                        value = item[6]
2975                        context[name].append(value)
2976                        value = item[7]
2977                        context[name].append(value)
2978                    except IndexError:
2979                        pass
2980
2981        self.updateFullModel(context)
2982        self.updateFullPolyModel(context)
2983
2984    def updateFullModel(self, param_dict):
2985        """
2986        Update the model with new parameters
2987        """
2988        assert isinstance(param_dict, dict)
2989        if not dict:
2990            return
2991
2992        def updateFittedValues(row):
2993            # Utility function for main model update
2994            # internal so can use closure for param_dict
2995            param_name = str(self._model_model.item(row, 0).text())
2996            if param_name not in list(param_dict.keys()):
2997                return
2998            # checkbox state
2999            param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked
3000            self._model_model.item(row, 0).setCheckState(param_checked)
3001
3002            # modify the param value
3003            param_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
3004            self._model_model.item(row, 1).setText(param_repr)
3005
3006            # Potentially the error column
3007            ioffset = 0
3008            if len(param_dict[param_name])>4 and self.has_error_column:
3009                # error values are not editable - no need to update
3010                #error_repr = GuiUtils.formatNumber(param_dict[param_name][2], high=True)
3011                #self._model_model.item(row, 2).setText(error_repr)
3012                ioffset = 1
3013            # min/max
3014            param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True)
3015            self._model_model.item(row, 2+ioffset).setText(param_repr)
3016            param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True)
3017            self._model_model.item(row, 3+ioffset).setText(param_repr)
3018
3019        # block signals temporarily, so we don't end up
3020        # updating charts with every single model change on the end of fitting
3021        self._model_model.blockSignals(True)
3022        self.iterateOverModel(updateFittedValues)
3023        self._model_model.blockSignals(False)
3024
3025    def updateFullPolyModel(self, param_dict):
3026        """
3027        Update the polydispersity model with new parameters, create the errors column
3028        """
3029        assert isinstance(param_dict, dict)
3030        if not dict:
3031            return
3032
3033        def updateFittedValues(row):
3034            # Utility function for main model update
3035            # internal so can use closure for param_dict
3036            if row >= self._poly_model.rowCount():
3037                return
3038            param_name = str(self._poly_model.item(row, 0).text()).rsplit()[-1] + '.width'
3039            if param_name not in list(param_dict.keys()):
3040                return
3041            # checkbox state
3042            param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked
3043            self._poly_model.item(row,0).setCheckState(param_checked)
3044
3045            # modify the param value
3046            param_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
3047            self._poly_model.item(row, 1).setText(param_repr)
3048
3049            # Potentially the error column
3050            ioffset = 0
3051            if len(param_dict[param_name])>4 and self.has_poly_error_column:
3052                ioffset = 1
3053            # min
3054            param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True)
3055            self._poly_model.item(row, 2+ioffset).setText(param_repr)
3056            # max
3057            param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True)
3058            self._poly_model.item(row, 3+ioffset).setText(param_repr)
3059            # Npts
3060            param_repr = GuiUtils.formatNumber(param_dict[param_name][4+ioffset], high=True)
3061            self._poly_model.item(row, 4+ioffset).setText(param_repr)
3062            # Nsigs
3063            param_repr = GuiUtils.formatNumber(param_dict[param_name][5+ioffset], high=True)
3064            self._poly_model.item(row, 5+ioffset).setText(param_repr)
3065
3066            param_repr = GuiUtils.formatNumber(param_dict[param_name][5+ioffset], high=True)
3067            self._poly_model.item(row, 5+ioffset).setText(param_repr)
3068
3069        # block signals temporarily, so we don't end up
3070        # updating charts with every single model change on the end of fitting
3071        self._poly_model.blockSignals(True)
3072        self.iterateOverPolyModel(updateFittedValues)
3073        self._poly_model.blockSignals(False)
3074
[57be490]3075
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