source: sasview/src/sas/qtgui/Perspectives/Fitting/FittingWidget.py @ 63319b0

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalc
Last change on this file since 63319b0 was 63319b0, checked in by Piotr Rozyczko <rozyczko@…>, 6 years ago

unit tests for constraints: FittingWidget?, FittingPerspective?

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File size: 88.0 KB
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[60af928]1import json
[cd31251]2import os
[60af928]3from collections import defaultdict
[b3e8629]4
[60af928]5
[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
[5d1440e1]16from sasmodels import product
[60af928]17from sasmodels import generate
18from sasmodels import modelinfo
[5236449]19from sasmodels.sasview_model import load_standard_models
[358b39d]20from sasmodels.weights import MODELS as POLYDISPERSITY_MODELS
21
[f182f93]22from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit
[5236449]23
[83eb5208]24import sas.qtgui.Utilities.GuiUtils as GuiUtils
[dc5ef15]25from sas.qtgui.Utilities.CategoryInstaller import CategoryInstaller
26from sas.qtgui.Plotting.PlotterData import Data1D
27from sas.qtgui.Plotting.PlotterData import Data2D
[5236449]28
[1bc27f1]29from sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI import Ui_FittingWidgetUI
[dc5ef15]30from sas.qtgui.Perspectives.Fitting.FitThread import FitThread
[7adc2a8]31from sas.qtgui.Perspectives.Fitting.ConsoleUpdate import ConsoleUpdate
32
[dc5ef15]33from sas.qtgui.Perspectives.Fitting.ModelThread import Calc1D
34from sas.qtgui.Perspectives.Fitting.ModelThread import Calc2D
[4d457df]35from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic
36from sas.qtgui.Perspectives.Fitting import FittingUtilities
[1bc27f1]37from sas.qtgui.Perspectives.Fitting.SmearingWidget import SmearingWidget
38from sas.qtgui.Perspectives.Fitting.OptionsWidget import OptionsWidget
39from sas.qtgui.Perspectives.Fitting.FitPage import FitPage
[ad6b4e2]40from sas.qtgui.Perspectives.Fitting.ViewDelegate import ModelViewDelegate
[6011788]41from sas.qtgui.Perspectives.Fitting.ViewDelegate import PolyViewDelegate
[b00414d]42from sas.qtgui.Perspectives.Fitting.ViewDelegate import MagnetismViewDelegate
[eae226b]43from sas.qtgui.Perspectives.Fitting.Constraints import Constraint
44from sas.qtgui.Perspectives.Fitting.MultiConstraint import MultiConstraint
[60af928]45
[8222f171]46
[60af928]47TAB_MAGNETISM = 4
48TAB_POLY = 3
[cbcdd2c]49CATEGORY_DEFAULT = "Choose category..."
[4d457df]50CATEGORY_STRUCTURE = "Structure Factor"
[351b53e]51STRUCTURE_DEFAULT = "None"
[60af928]52
[358b39d]53DEFAULT_POLYDISP_FUNCTION = 'gaussian'
54
[53c771e]55USING_TWISTED = True
56#USING_TWISTED = False
[7adc2a8]57
[13cd397]58class ToolTippedItemModel(QtGui.QStandardItemModel):
[f54ce30]59    """
60    Subclass from QStandardItemModel to allow displaying tooltips in
61    QTableView model.
62    """
[d0dfcb2]63    def __init__(self, parent=None):
[13cd397]64        QtGui.QStandardItemModel.__init__(self,parent)
65
[fbfc488]66    def headerData(self, section, orientation, role=QtCore.Qt.DisplayRole):
[f54ce30]67        """
68        Displays tooltip for each column's header
69        :param section:
70        :param orientation:
71        :param role:
72        :return:
73        """
[13cd397]74        if role == QtCore.Qt.ToolTipRole:
75            if orientation == QtCore.Qt.Horizontal:
[b3e8629]76                return str(self.header_tooltips[section])
[ca7c6bd]77
[a95c44b]78        return QtGui.QStandardItemModel.headerData(self, section, orientation, role)
[13cd397]79
[4992ff2]80class FittingWidget(QtWidgets.QWidget, Ui_FittingWidgetUI):
[60af928]81    """
[f46f6dc]82    Main widget for selecting form and structure factor models
[60af928]83    """
[be8f4b0]84    constraintAddedSignal = QtCore.pyqtSignal(list)
85    newModelSignal = QtCore.pyqtSignal()
[1bc27f1]86    def __init__(self, parent=None, data=None, tab_id=1):
[60af928]87
88        super(FittingWidget, self).__init__()
89
[86f88d1]90        # Necessary globals
[cbcdd2c]91        self.parent = parent
[2a432e7]92
93        # Which tab is this widget displayed in?
94        self.tab_id = tab_id
95
96        # Main Data[12]D holder
[ee18d33]97        self.logic = FittingLogic()
[2a432e7]98
99        # Globals
100        self.initializeGlobals()
101
102        # Main GUI setup up
103        self.setupUi(self)
104        self.setWindowTitle("Fitting")
105
106        # Set up tabs widgets
107        self.initializeWidgets()
108
109        # Set up models and views
110        self.initializeModels()
111
112        # Defaults for the structure factors
113        self.setDefaultStructureCombo()
114
115        # Make structure factor and model CBs disabled
116        self.disableModelCombo()
117        self.disableStructureCombo()
118
119        # Generate the category list for display
120        self.initializeCategoryCombo()
121
122        # Connect signals to controls
123        self.initializeSignals()
124
125        # Initial control state
126        self.initializeControls()
127
128        # Display HTML content
[e90988c]129        #self.setupHelp()
[2a432e7]130
[457d961]131        # New font to display angstrom symbol
132        new_font = 'font-family: -apple-system, "Helvetica Neue", "Ubuntu";'
133        self.label_17.setStyleSheet(new_font)
134        self.label_19.setStyleSheet(new_font)
135
[2a432e7]136        self._index = None
137        if data is not None:
138            self.data = data
139
140    @property
141    def data(self):
142        return self.logic.data
143
144    @data.setter
145    def data(self, value):
146        """ data setter """
[f7d14a1]147        # Value is either a list of indices for batch fitting or a simple index
148        # for standard fitting. Assure we have a list, regardless.
[ee18d33]149        if isinstance(value, list):
150            self.is_batch_fitting = True
151        else:
152            value = [value]
153
154        assert isinstance(value[0], QtGui.QStandardItem)
[2a432e7]155        # _index contains the QIndex with data
[ee18d33]156        self._index = value[0]
157
158        # Keep reference to all datasets for batch
159        self.all_data = value
[2a432e7]160
161        # Update logics with data items
[f7d14a1]162        # Logics.data contains only a single Data1D/Data2D object
[ee18d33]163        self.logic.data = GuiUtils.dataFromItem(value[0])
[2a432e7]164
165        # Overwrite data type descriptor
166        self.is2D = True if isinstance(self.logic.data, Data2D) else False
167
[f7d14a1]168        # Let others know we're full of data now
[2a432e7]169        self.data_is_loaded = True
170
171        # Enable/disable UI components
172        self.setEnablementOnDataLoad()
173
174    def initializeGlobals(self):
175        """
176        Initialize global variables used in this class
177        """
[cbcdd2c]178        # SasModel is loaded
[60af928]179        self.model_is_loaded = False
[cbcdd2c]180        # Data[12]D passed and set
[5236449]181        self.data_is_loaded = False
[ee18d33]182        # Batch/single fitting
183        self.is_batch_fitting = False
[7fd20fc]184        self.is_chain_fitting = False
[cbcdd2c]185        # Current SasModel in view
[5236449]186        self.kernel_module = None
[cbcdd2c]187        # Current SasModel view dimension
[60af928]188        self.is2D = False
[cbcdd2c]189        # Current SasModel is multishell
[86f88d1]190        self.model_has_shells = False
[cbcdd2c]191        # Utility variable to enable unselectable option in category combobox
[86f88d1]192        self._previous_category_index = 0
[cbcdd2c]193        # Utility variable for multishell display
[86f88d1]194        self._last_model_row = 0
[cbcdd2c]195        # Dictionary of {model name: model class} for the current category
[5236449]196        self.models = {}
[f182f93]197        # Parameters to fit
198        self.parameters_to_fit = None
[180bd54]199        # Fit options
200        self.q_range_min = 0.005
201        self.q_range_max = 0.1
202        self.npts = 25
203        self.log_points = False
204        self.weighting = 0
[2add354]205        self.chi2 = None
[6011788]206        # Does the control support UNDO/REDO
207        # temporarily off
[2241130]208        self.undo_supported = False
209        self.page_stack = []
[377ade1]210        self.all_data = []
[8222f171]211        # Polydisp widget table default index for function combobox
212        self.orig_poly_index = 3
[6011788]213
[116dd4c1]214        # Page id for fitting
215        # To keep with previous SasView values, use 200 as the start offset
216        self.page_id = 200 + self.tab_id
217
[d48cc19]218        # Data for chosen model
219        self.model_data = None
220
[a9b568c]221        # Which shell is being currently displayed?
222        self.current_shell_displayed = 0
[0d13814]223        # List of all shell-unique parameters
224        self.shell_names = []
[b00414d]225
226        # Error column presence in parameter display
[f182f93]227        self.has_error_column = False
[aca8418]228        self.has_poly_error_column = False
[b00414d]229        self.has_magnet_error_column = False
[a9b568c]230
[2a432e7]231        # signal communicator
[cbcdd2c]232        self.communicate = self.parent.communicate
[60af928]233
[2a432e7]234    def initializeWidgets(self):
235        """
236        Initialize widgets for tabs
237        """
[180bd54]238        # Options widget
[4992ff2]239        layout = QtWidgets.QGridLayout()
[180bd54]240        self.options_widget = OptionsWidget(self, self.logic)
[1bc27f1]241        layout.addWidget(self.options_widget)
[180bd54]242        self.tabOptions.setLayout(layout)
243
[e1e3e09]244        # Smearing widget
[4992ff2]245        layout = QtWidgets.QGridLayout()
[e1e3e09]246        self.smearing_widget = SmearingWidget(self)
[1bc27f1]247        layout.addWidget(self.smearing_widget)
[180bd54]248        self.tabResolution.setLayout(layout)
[e1e3e09]249
[b1e36a3]250        # Define bold font for use in various controls
[1bc27f1]251        self.boldFont = QtGui.QFont()
[a0f5c36]252        self.boldFont.setBold(True)
253
254        # Set data label
[b1e36a3]255        self.label.setFont(self.boldFont)
256        self.label.setText("No data loaded")
257        self.lblFilename.setText("")
258
[6ff2eb3]259        # Magnetic angles explained in one picture
[4992ff2]260        self.magneticAnglesWidget = QtWidgets.QWidget()
261        labl = QtWidgets.QLabel(self.magneticAnglesWidget)
[6ff2eb3]262        pixmap = QtGui.QPixmap(GuiUtils.IMAGES_DIRECTORY_LOCATION + '/M_angles_pic.bmp')
263        labl.setPixmap(pixmap)
264        self.magneticAnglesWidget.setFixedSize(pixmap.width(), pixmap.height())
265
[2a432e7]266    def initializeModels(self):
267        """
268        Set up models and views
269        """
[86f88d1]270        # Set the main models
[cd31251]271        # We can't use a single model here, due to restrictions on flattening
272        # the model tree with subclassed QAbstractProxyModel...
[13cd397]273        self._model_model = ToolTippedItemModel()
274        self._poly_model = ToolTippedItemModel()
275        self._magnet_model = ToolTippedItemModel()
[60af928]276
277        # Param model displayed in param list
278        self.lstParams.setModel(self._model_model)
[5236449]279        self.readCategoryInfo()
[4992ff2]280
[60af928]281        self.model_parameters = None
[ad6b4e2]282
283        # Delegates for custom editing and display
284        self.lstParams.setItemDelegate(ModelViewDelegate(self))
285
[86f88d1]286        self.lstParams.setAlternatingRowColors(True)
[61a92d4]287        stylesheet = """
[457d961]288
289            QTreeView {
290                paint-alternating-row-colors-for-empty-area:0;
291            }
292
[2a432e7]293            QTreeView::item:hover {
294                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #e7effd, stop: 1 #cbdaf1);
295                border: 1px solid #bfcde4;
[61a92d4]296            }
[2a432e7]297
298            QTreeView::item:selected {
299                border: 1px solid #567dbc;
300            }
301
302            QTreeView::item:selected:active{
303                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6ea1f1, stop: 1 #567dbc);
304            }
305
306            QTreeView::item:selected:!active {
307                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6b9be8, stop: 1 #577fbf);
308            }
309           """
[61a92d4]310        self.lstParams.setStyleSheet(stylesheet)
[672b8ab]311        self.lstParams.setContextMenuPolicy(QtCore.Qt.CustomContextMenu)
[7fd20fc]312        self.lstParams.customContextMenuRequested.connect(self.showModelContextMenu)
[457d961]313        self.lstParams.setAttribute(QtCore.Qt.WA_MacShowFocusRect, False)
[60af928]314        # Poly model displayed in poly list
[811bec1]315        self.lstPoly.setModel(self._poly_model)
[60af928]316        self.setPolyModel()
317        self.setTableProperties(self.lstPoly)
[6011788]318        # Delegates for custom editing and display
[aca8418]319        self.lstPoly.setItemDelegate(PolyViewDelegate(self))
320        # Polydispersity function combo response
321        self.lstPoly.itemDelegate().combo_updated.connect(self.onPolyComboIndexChange)
[e43fc91]322        self.lstPoly.itemDelegate().filename_updated.connect(self.onPolyFilenameChange)
[60af928]323
324        # Magnetism model displayed in magnetism list
325        self.lstMagnetic.setModel(self._magnet_model)
326        self.setMagneticModel()
327        self.setTableProperties(self.lstMagnetic)
[b00414d]328        # Delegates for custom editing and display
329        self.lstMagnetic.setItemDelegate(MagnetismViewDelegate(self))
[60af928]330
[2a432e7]331    def initializeCategoryCombo(self):
332        """
333        Model category combo setup
334        """
[60af928]335        category_list = sorted(self.master_category_dict.keys())
[86f88d1]336        self.cbCategory.addItem(CATEGORY_DEFAULT)
[60af928]337        self.cbCategory.addItems(category_list)
[4d457df]338        self.cbCategory.addItem(CATEGORY_STRUCTURE)
[6f7f652]339        self.cbCategory.setCurrentIndex(0)
[60af928]340
[e1e3e09]341    def setEnablementOnDataLoad(self):
342        """
343        Enable/disable various UI elements based on data loaded
344        """
[cbcdd2c]345        # Tag along functionality
[b1e36a3]346        self.label.setText("Data loaded from: ")
[a0f5c36]347        self.lblFilename.setText(self.logic.data.filename)
[5236449]348        self.updateQRange()
[e1e3e09]349        # Switch off Data2D control
350        self.chk2DView.setEnabled(False)
351        self.chk2DView.setVisible(False)
[6ff2eb3]352        self.chkMagnetism.setEnabled(self.is2D)
[4fdb727]353        self.tabFitting.setTabEnabled(TAB_MAGNETISM, self.is2D)
[ee18d33]354        # Combo box or label for file name"
355        if self.is_batch_fitting:
356            self.lblFilename.setVisible(False)
357            for dataitem in self.all_data:
358                filename = GuiUtils.dataFromItem(dataitem).filename
359                self.cbFileNames.addItem(filename)
360            self.cbFileNames.setVisible(True)
[7fd20fc]361            self.chkChainFit.setEnabled(True)
362            self.chkChainFit.setVisible(True)
[38eb433]363            # This panel is not designed to view individual fits, so disable plotting
364            self.cmdPlot.setVisible(False)
[180bd54]365        # Similarly on other tabs
366        self.options_widget.setEnablementOnDataLoad()
[f7d14a1]367        self.onSelectModel()
[e1e3e09]368        # Smearing tab
369        self.smearing_widget.updateSmearing(self.data)
[60af928]370
[f46f6dc]371    def acceptsData(self):
372        """ Tells the caller this widget can accept new dataset """
[5236449]373        return not self.data_is_loaded
[f46f6dc]374
[6f7f652]375    def disableModelCombo(self):
[cbcdd2c]376        """ Disable the combobox """
[6f7f652]377        self.cbModel.setEnabled(False)
[b1e36a3]378        self.lblModel.setEnabled(False)
[6f7f652]379
380    def enableModelCombo(self):
[cbcdd2c]381        """ Enable the combobox """
[6f7f652]382        self.cbModel.setEnabled(True)
[b1e36a3]383        self.lblModel.setEnabled(True)
[6f7f652]384
385    def disableStructureCombo(self):
[cbcdd2c]386        """ Disable the combobox """
[6f7f652]387        self.cbStructureFactor.setEnabled(False)
[b1e36a3]388        self.lblStructure.setEnabled(False)
[6f7f652]389
390    def enableStructureCombo(self):
[cbcdd2c]391        """ Enable the combobox """
[6f7f652]392        self.cbStructureFactor.setEnabled(True)
[b1e36a3]393        self.lblStructure.setEnabled(True)
[6f7f652]394
[0268aed]395    def togglePoly(self, isChecked):
[454670d]396        """ Enable/disable the polydispersity tab """
[0268aed]397        self.tabFitting.setTabEnabled(TAB_POLY, isChecked)
398
399    def toggleMagnetism(self, isChecked):
[454670d]400        """ Enable/disable the magnetism tab """
[0268aed]401        self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked)
402
[7fd20fc]403    def toggleChainFit(self, isChecked):
404        """ Enable/disable chain fitting """
405        self.is_chain_fitting = isChecked
406
[0268aed]407    def toggle2D(self, isChecked):
[454670d]408        """ Enable/disable the controls dependent on 1D/2D data instance """
[0268aed]409        self.chkMagnetism.setEnabled(isChecked)
410        self.is2D = isChecked
[1970780]411        # Reload the current model
[e1e3e09]412        if self.kernel_module:
413            self.onSelectModel()
[5236449]414
[86f88d1]415    def initializeControls(self):
416        """
417        Set initial control enablement
418        """
[ee18d33]419        self.cbFileNames.setVisible(False)
[86f88d1]420        self.cmdFit.setEnabled(False)
[d48cc19]421        self.cmdPlot.setEnabled(False)
[180bd54]422        self.options_widget.cmdComputePoints.setVisible(False) # probably redundant
[86f88d1]423        self.chkPolydispersity.setEnabled(True)
424        self.chkPolydispersity.setCheckState(False)
425        self.chk2DView.setEnabled(True)
426        self.chk2DView.setCheckState(False)
427        self.chkMagnetism.setEnabled(False)
428        self.chkMagnetism.setCheckState(False)
[7fd20fc]429        self.chkChainFit.setEnabled(False)
430        self.chkChainFit.setVisible(False)
[cbcdd2c]431        # Tabs
[86f88d1]432        self.tabFitting.setTabEnabled(TAB_POLY, False)
433        self.tabFitting.setTabEnabled(TAB_MAGNETISM, False)
434        self.lblChi2Value.setText("---")
[e1e3e09]435        # Smearing tab
436        self.smearing_widget.updateSmearing(self.data)
[180bd54]437        # Line edits in the option tab
438        self.updateQRange()
[86f88d1]439
440    def initializeSignals(self):
441        """
442        Connect GUI element signals
443        """
[cbcdd2c]444        # Comboboxes
[cd31251]445        self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor)
446        self.cbCategory.currentIndexChanged.connect(self.onSelectCategory)
447        self.cbModel.currentIndexChanged.connect(self.onSelectModel)
[ee18d33]448        self.cbFileNames.currentIndexChanged.connect(self.onSelectBatchFilename)
[cbcdd2c]449        # Checkboxes
[86f88d1]450        self.chk2DView.toggled.connect(self.toggle2D)
451        self.chkPolydispersity.toggled.connect(self.togglePoly)
452        self.chkMagnetism.toggled.connect(self.toggleMagnetism)
[7fd20fc]453        self.chkChainFit.toggled.connect(self.toggleChainFit)
[cbcdd2c]454        # Buttons
[5236449]455        self.cmdFit.clicked.connect(self.onFit)
[cbcdd2c]456        self.cmdPlot.clicked.connect(self.onPlot)
[2add354]457        self.cmdHelp.clicked.connect(self.onHelp)
[6ff2eb3]458        self.cmdMagneticDisplay.clicked.connect(self.onDisplayMagneticAngles)
[cbcdd2c]459
460        # Respond to change in parameters from the UI
[b00414d]461        self._model_model.itemChanged.connect(self.onMainParamsChange)
[eae226b]462        #self.constraintAddedSignal.connect(self.modifyViewOnConstraint)
[cd31251]463        self._poly_model.itemChanged.connect(self.onPolyModelChange)
[b00414d]464        self._magnet_model.itemChanged.connect(self.onMagnetModelChange)
[86f88d1]465
[180bd54]466        # Signals from separate tabs asking for replot
467        self.options_widget.plot_signal.connect(self.onOptionsUpdate)
468
[d3c0b95]469    def modelName(self):
470        """
471        Returns model name, by default M<tab#>, e.g. M1, M2
472        """
473        return "M%i" % self.tab_id
474
475    def nameForFittedData(self, name):
476        """
477        Generate name for the current fit
478        """
479        if self.is2D:
480            name += "2d"
481        name = "%s [%s]" % (self.modelName(), name)
482        return name
[7fd20fc]483
[d3c0b95]484    def showModelContextMenu(self, position):
485        """
486        Show context specific menu in the parameter table.
487        When clicked on parameter(s): fitting/constraints options
488        When clicked on white space: model description
489        """
[eae226b]490        rows = [s.row() for s in self.lstParams.selectionModel().selectedRows()]
[7fd20fc]491        menu = self.showModelDescription() if not rows else self.modelContextMenu(rows)
492        try:
493            menu.exec_(self.lstParams.viewport().mapToGlobal(position))
494        except AttributeError as ex:
495            logging.error("Error generating context menu: %s" % ex)
496        return
497
498    def modelContextMenu(self, rows):
[eae226b]499        """
[d3c0b95]500        Create context menu for the parameter selection
[eae226b]501        """
[7fd20fc]502        menu = QtWidgets.QMenu()
[eae226b]503        num_rows = len(rows)
[63319b0]504        if num_rows < 1:
505            return menu
[7fd20fc]506        # Select for fitting
[eae226b]507        param_string = "parameter " if num_rows==1 else "parameters "
508        to_string = "to its current value" if num_rows==1 else "to their current values"
[d3c0b95]509        has_constraints = any([self.rowHasConstraint(i) for i in rows])
[eae226b]510
[7fd20fc]511        self.actionSelect = QtWidgets.QAction(self)
512        self.actionSelect.setObjectName("actionSelect")
[eae226b]513        self.actionSelect.setText(QtCore.QCoreApplication.translate("self", "Select "+param_string+" for fitting"))
[7fd20fc]514        # Unselect from fitting
515        self.actionDeselect = QtWidgets.QAction(self)
516        self.actionDeselect.setObjectName("actionDeselect")
[eae226b]517        self.actionDeselect.setText(QtCore.QCoreApplication.translate("self", "De-select "+param_string+" from fitting"))
[7fd20fc]518
519        self.actionConstrain = QtWidgets.QAction(self)
520        self.actionConstrain.setObjectName("actionConstrain")
[eae226b]521        self.actionConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain "+param_string + to_string))
522
523        self.actionRemoveConstraint = QtWidgets.QAction(self)
524        self.actionRemoveConstraint.setObjectName("actionRemoveConstrain")
525        self.actionRemoveConstraint.setText(QtCore.QCoreApplication.translate("self", "Remove constraint"))
[7fd20fc]526
527        self.actionMultiConstrain = QtWidgets.QAction(self)
528        self.actionMultiConstrain.setObjectName("actionMultiConstrain")
529        self.actionMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain selected parameters to their current values"))
530
531        self.actionMutualMultiConstrain = QtWidgets.QAction(self)
532        self.actionMutualMultiConstrain.setObjectName("actionMutualMultiConstrain")
533        self.actionMutualMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Mutual constrain of selected parameters..."))
534
535        menu.addAction(self.actionSelect)
536        menu.addAction(self.actionDeselect)
537        menu.addSeparator()
538
[d3c0b95]539        if has_constraints:
[eae226b]540            menu.addAction(self.actionRemoveConstraint)
[d3c0b95]541            #if num_rows == 1:
542            #    menu.addAction(self.actionEditConstraint)
[eae226b]543        else:
[7fd20fc]544            menu.addAction(self.actionConstrain)
[d3c0b95]545            if num_rows == 2:
546                menu.addAction(self.actionMutualMultiConstrain)
[7fd20fc]547
548        # Define the callbacks
[0595bb7]549        self.actionConstrain.triggered.connect(self.addSimpleConstraint)
[eae226b]550        self.actionRemoveConstraint.triggered.connect(self.deleteConstraint)
[0595bb7]551        self.actionMutualMultiConstrain.triggered.connect(self.showMultiConstraint)
[7fd20fc]552        self.actionSelect.triggered.connect(self.selectParameters)
553        self.actionDeselect.triggered.connect(self.deselectParameters)
554        return menu
555
[0595bb7]556    def showMultiConstraint(self):
[7fd20fc]557        """
558        Show the constraint widget and receive the expression
559        """
[0595bb7]560        selected_rows = self.lstParams.selectionModel().selectedRows()
[676f137]561        assert(len(selected_rows)==2)
[0595bb7]562
563        params_list = [s.data() for s in selected_rows]
[eae226b]564        # Create and display the widget for param1 and param2
[7fd20fc]565        mc_widget = MultiConstraint(self, params=params_list)
[eae226b]566        if mc_widget.exec_() != QtWidgets.QDialog.Accepted:
567            return
568
[0595bb7]569        constraint = Constraint()
570        c_text = mc_widget.txtConstraint.text()
571
[eae226b]572        # widget.params[0] is the parameter we're constraining
573        constraint.param = mc_widget.params[0]
[47d7d2d]574        # Function should have the model name preamble
[eae226b]575        constraint.func = c_text
[7fd20fc]576
[eae226b]577        # Create a new item and add the Constraint object as a child
578        item = QtGui.QStandardItem()
579        item.setData(constraint)
580
[d3c0b95]581        # Which row is the constrained parameter in?
[2d466e4]582        row = self.getRowFromName(constraint.param)
[eae226b]583        self._model_model.item(row, 1).setChild(0, item)
[be8f4b0]584        self.constraintAddedSignal.emit([row])
[d3c0b95]585
[eae226b]586        # Show visual hints for the constraint
[0595bb7]587        font = QtGui.QFont()
588        font.setItalic(True)
589        brush = QtGui.QBrush(QtGui.QColor('blue'))
[eae226b]590        self.modifyViewOnRow(row, font=font, brush=brush)
591
[d3c0b95]592        # Notify the user
[eae226b]593        self.communicate.statusBarUpdateSignal.emit('Constraints added')
594
[2d466e4]595    def getRowFromName(self, name):
[eae226b]596        """
[d3c0b95]597        Given parameter name get the row number in self._model_model
[eae226b]598        """
599        for row in range(self._model_model.rowCount()):
600            row_name = self._model_model.item(row).text()
601            if row_name == name:
602                return row
603        return None
604
[2d466e4]605    def getParamNames(self):
606        """
607        Return list of all parameters for the current model
608        """
609        return [self._model_model.item(row).text() for row in range(self._model_model.rowCount())]
610
[eae226b]611    def modifyViewOnRow(self, row, font=None, brush=None):
612        """
613        Chage how the given row of the main model is shown
614        """
615        fields_enabled = False
616        if font is None:
617            font = QtGui.QFont()
618            fields_enabled = True
619        if brush is None:
620            brush = QtGui.QBrush()
621            fields_enabled = True
[0595bb7]622        self._model_model.blockSignals(True)
623        # Modify font and foreground of affected rows
624        for column in range(0, self._model_model.columnCount()):
625            self._model_model.item(row, column).setForeground(brush)
626            self._model_model.item(row, column).setFont(font)
[eae226b]627            self._model_model.item(row, column).setEditable(fields_enabled)
[0595bb7]628        self._model_model.blockSignals(False)
629
[c5a2722f]630    def addConstraintToRow(self, constraint=None, row=0):
631        """
632        Adds the constraint object to requested row
633        """
634        # Create a new item and add the Constraint object as a child
635        assert(isinstance(constraint, Constraint))
636        assert(0<=row<=self._model_model.rowCount())
637
638        item = QtGui.QStandardItem()
639        item.setData(constraint)
640        self._model_model.item(row, 1).setChild(0, item)
641        # Set min/max to the value constrained
642        self.constraintAddedSignal.emit([row])
643        # Show visual hints for the constraint
644        font = QtGui.QFont()
645        font.setItalic(True)
646        brush = QtGui.QBrush(QtGui.QColor('blue'))
647        self.modifyViewOnRow(row, font=font, brush=brush)
648        self.communicate.statusBarUpdateSignal.emit('Constraint added')
649
[0595bb7]650    def addSimpleConstraint(self):
[7fd20fc]651        """
652        Adds a constraint on a single parameter.
[2add354]653        """
[d3c0b95]654        min_col = self.lstParams.itemDelegate().param_min
655        max_col = self.lstParams.itemDelegate().param_max
[0595bb7]656        for row in self.selectedParameters():
657            param = self._model_model.item(row, 0).text()
658            value = self._model_model.item(row, 1).text()
[d3c0b95]659            min = self._model_model.item(row, min_col).text()
660            max = self._model_model.item(row, max_col).text()
[eae226b]661            # Create a Constraint object
[be8f4b0]662            constraint = Constraint(param=param, value=value, min=min, max=max, func=value)
[eae226b]663            # Create a new item and add the Constraint object as a child
[0595bb7]664            item = QtGui.QStandardItem()
665            item.setData(constraint)
666            self._model_model.item(row, 1).setChild(0, item)
[eae226b]667            # Set min/max to the value constrained
[d3c0b95]668            self._model_model.item(row, min_col).setText(value)
669            self._model_model.item(row, max_col).setText(value)
[be8f4b0]670            self.constraintAddedSignal.emit([row])
[eae226b]671            # Show visual hints for the constraint
672            font = QtGui.QFont()
673            font.setItalic(True)
674            brush = QtGui.QBrush(QtGui.QColor('blue'))
675            self.modifyViewOnRow(row, font=font, brush=brush)
[7fd20fc]676        self.communicate.statusBarUpdateSignal.emit('Constraint added')
677        pass
678
[eae226b]679    def deleteConstraint(self):
680        """
681        Delete constraints from selected parameters.
682        """
[be8f4b0]683        self.deleteConstraintOnParameter(param=None)
684
685    def deleteConstraintOnParameter(self, param=None):
686        """
687        Delete the constraint on model parameter 'param'
688        """
[d3c0b95]689        min_col = self.lstParams.itemDelegate().param_min
690        max_col = self.lstParams.itemDelegate().param_max
[be8f4b0]691        for row in range(self._model_model.rowCount()):
[eae226b]692            # Get the Constraint object from of the model item
693            item = self._model_model.item(row, 1)
[d3c0b95]694            if not item.hasChildren():
695                continue
[eae226b]696            constraint = item.child(0).data()
[d3c0b95]697            if constraint is None:
698                continue
699            if not isinstance(constraint, Constraint):
700                continue
[be8f4b0]701            if param and constraint.param != param:
702                continue
703            # Now we got the right row. Delete the constraint and clean up
[eae226b]704            # Retrieve old values and put them on the model
705            if constraint.min is not None:
[d3c0b95]706                self._model_model.item(row, min_col).setText(constraint.min)
[eae226b]707            if constraint.max is not None:
[d3c0b95]708                self._model_model.item(row, max_col).setText(constraint.max)
[eae226b]709            # Remove constraint item
710            item.removeRow(0)
[be8f4b0]711            self.constraintAddedSignal.emit([row])
[eae226b]712            self.modifyViewOnRow(row)
[be8f4b0]713            break
714
[eae226b]715        self.communicate.statusBarUpdateSignal.emit('Constraint removed')
716        pass
717
[be8f4b0]718
[d3c0b95]719    def getConstraintForRow(self, row):
720        """
721        For the given row, return its constraint, if any
722        """
723        try:
724            item = self._model_model.item(row, 1)
725            return item.child(0).data()
726        except AttributeError:
727            # return none when no constraints
728            return None
729
[eae226b]730    def rowHasConstraint(self, row):
731        """
732        Finds out if row of the main model has a constraint child
733        """
734        item = self._model_model.item(row,1)
[be8f4b0]735        if item.hasChildren():
736            c = item.child(0).data()
737            if isinstance(c, Constraint) and c.func:
738                return True
739        return False
[116dd4c1]740
741    def rowHasActiveConstraint(self, row):
742        """
743        Finds out if row of the main model has an active constraint child
744        """
745        item = self._model_model.item(row,1)
746        if item.hasChildren():
747            c = item.child(0).data()
748            if isinstance(c, Constraint) and c.func and c.active:
749                return True
750        return False
[eae226b]751
[7fd20fc]752    def selectParameters(self):
753        """
[d3c0b95]754        Selected parameter is chosen for fitting
[7fd20fc]755        """
756        status = QtCore.Qt.Checked
757        self.setParameterSelection(status)
758
759    def deselectParameters(self):
760        """
761        Selected parameters are removed for fitting
762        """
763        status = QtCore.Qt.Unchecked
764        self.setParameterSelection(status)
765
766    def selectedParameters(self):
767        """ Returns list of selected (highlighted) parameters """
[d3c0b95]768        return [s.row() for s in self.lstParams.selectionModel().selectedRows()
769                if self.isCheckable(s.row())]
[7fd20fc]770
771    def setParameterSelection(self, status=QtCore.Qt.Unchecked):
772        """
773        Selected parameters are chosen for fitting
774        """
775        # Convert to proper indices and set requested enablement
776        for row in self.selectedParameters():
777            self._model_model.item(row, 0).setCheckState(status)
[d3c0b95]778        pass # debugger hook
779
780    def getConstraintsForModel(self):
781        """
782        Return a list of tuples. Each tuple contains constraints mapped as
783        ('constrained parameter', 'function to constrain')
784        e.g. [('sld','5*sld_solvent')]
785        """
[47d7d2d]786        model_name = self.kernel_module.name
[d3c0b95]787        param_number = self._model_model.rowCount()
[be8f4b0]788        def preamble(s):
789            func = self._model_model.item(s, 1).child(0).data().func
790            value = self._model_model.item(s, 1).child(0).data().value
791            if func == value:
792                return ""
[c5a2722f]793
[be8f4b0]794            return model_name + "."
[d3c0b95]795        params = [(self._model_model.item(s, 0).text(),
[c5a2722f]796                    #preamble(s) +self._model_model.item(s, 1).child(0).data().func)
797                    self._model_model.item(s, 1).child(0).data().func)
[116dd4c1]798                    for s in range(param_number) if self.rowHasActiveConstraint(s)]
[d3c0b95]799        return params
[7fd20fc]800
[ba01ad1]801    def getConstraintObjectsForModel(self):
802        """
803        Returns Constraint objects present on the whole model
804        """
805        param_number = self._model_model.rowCount()
806        constraints = [self._model_model.item(s, 1).child(0).data()
807                       for s in range(param_number) if self.rowHasConstraint(s)]
808
809        return constraints
810
[7fd20fc]811    def showModelDescription(self):
812        """
813        Creates a window with model description, when right clicked in the treeview
[2add354]814        """
815        msg = 'Model description:\n'
816        if self.kernel_module is not None:
817            if str(self.kernel_module.description).rstrip().lstrip() == '':
818                msg += "Sorry, no information is available for this model."
819            else:
820                msg += self.kernel_module.description + '\n'
821        else:
822            msg += "You must select a model to get information on this"
823
[4992ff2]824        menu = QtWidgets.QMenu()
825        label = QtWidgets.QLabel(msg)
[d6b8a1d]826        action = QtWidgets.QWidgetAction(self)
[672b8ab]827        action.setDefaultWidget(label)
828        menu.addAction(action)
[7fd20fc]829        return menu
[2add354]830
[0268aed]831    def onSelectModel(self):
[cbcdd2c]832        """
[0268aed]833        Respond to select Model from list event
[cbcdd2c]834        """
[d6b8a1d]835        model = self.cbModel.currentText()
[0268aed]836
[b3e8629]837        # empty combobox forced to be read
838        if not model:
839            return
[0268aed]840        # Reset structure factor
841        self.cbStructureFactor.setCurrentIndex(0)
842
[f182f93]843        # Reset parameters to fit
844        self.parameters_to_fit = None
[d7ff531]845        self.has_error_column = False
[aca8418]846        self.has_poly_error_column = False
[f182f93]847
[fd1ae6d1]848        self.respondToModelStructure(model=model, structure_factor=None)
849
[ee18d33]850    def onSelectBatchFilename(self, data_index):
851        """
852        Update the logic based on the selected file in batch fitting
853        """
854        self._index = self.all_data[data_index]
855        self.logic.data = GuiUtils.dataFromItem(self.all_data[data_index])
856        self.updateQRange()
857
[fd1ae6d1]858    def onSelectStructureFactor(self):
859        """
860        Select Structure Factor from list
861        """
862        model = str(self.cbModel.currentText())
863        category = str(self.cbCategory.currentText())
864        structure = str(self.cbStructureFactor.currentText())
865        if category == CATEGORY_STRUCTURE:
866            model = None
867        self.respondToModelStructure(model=model, structure_factor=structure)
868
[47d7d2d]869    def replaceConstraintName(self, old_name, new_name=""):
870        """
871        Replace names of models in defined constraints
872        """
873        param_number = self._model_model.rowCount()
874        # loop over parameters
875        for row in range(param_number):
876            if self.rowHasConstraint(row):
877                func = self._model_model.item(row, 1).child(0).data().func
878                if old_name in func:
879                    new_func = func.replace(old_name, new_name)
880                    self._model_model.item(row, 1).child(0).data().func = new_func
881
882        pass
883
[9c0ce68]884    def updateData(self):
885        """
886        Helper function for recalculation of data used in plotting
887        """
888        # Update the chart
[0268aed]889        if self.data_is_loaded:
[d48cc19]890            self.cmdPlot.setText("Show Plot")
[0268aed]891            self.calculateQGridForModel()
892        else:
[d48cc19]893            self.cmdPlot.setText("Calculate")
[0268aed]894            # Create default datasets if no data passed
895            self.createDefaultDataset()
896
[9c0ce68]897    def respondToModelStructure(self, model=None, structure_factor=None):
898        # Set enablement on calculate/plot
899        self.cmdPlot.setEnabled(True)
900
901        # kernel parameters -> model_model
902        self.SASModelToQModel(model, structure_factor)
903
904        # Update plot
905        self.updateData()
906
[6011788]907        # Update state stack
[00b3b40]908        self.updateUndo()
[2add354]909
[be8f4b0]910        # Let others know
911        self.newModelSignal.emit()
912
[cd31251]913    def onSelectCategory(self):
[60af928]914        """
915        Select Category from list
916        """
[d6b8a1d]917        category = self.cbCategory.currentText()
[86f88d1]918        # Check if the user chose "Choose category entry"
[4d457df]919        if category == CATEGORY_DEFAULT:
[86f88d1]920            # if the previous category was not the default, keep it.
921            # Otherwise, just return
922            if self._previous_category_index != 0:
[351b53e]923                # We need to block signals, or else state changes on perceived unchanged conditions
924                self.cbCategory.blockSignals(True)
[86f88d1]925                self.cbCategory.setCurrentIndex(self._previous_category_index)
[351b53e]926                self.cbCategory.blockSignals(False)
[86f88d1]927            return
928
[4d457df]929        if category == CATEGORY_STRUCTURE:
[6f7f652]930            self.disableModelCombo()
931            self.enableStructureCombo()
[29eb947]932            self._model_model.clear()
[6f7f652]933            return
934
[cbcdd2c]935        # Safely clear and enable the model combo
[6f7f652]936        self.cbModel.blockSignals(True)
937        self.cbModel.clear()
938        self.cbModel.blockSignals(False)
939        self.enableModelCombo()
940        self.disableStructureCombo()
941
[86f88d1]942        self._previous_category_index = self.cbCategory.currentIndex()
[cbcdd2c]943        # Retrieve the list of models
[4d457df]944        model_list = self.master_category_dict[category]
[cbcdd2c]945        # Populate the models combobox
[b1e36a3]946        self.cbModel.addItems(sorted([model for (model, _) in model_list]))
[4d457df]947
[0268aed]948    def onPolyModelChange(self, item):
949        """
950        Callback method for updating the main model and sasmodel
951        parameters with the GUI values in the polydispersity view
952        """
953        model_column = item.column()
954        model_row = item.row()
955        name_index = self._poly_model.index(model_row, 0)
[7fb471d]956        parameter_name = str(name_index.data()).lower() # "distribution of sld" etc.
[c1e380e]957        if "distribution of" in parameter_name:
[358b39d]958            # just the last word
959            parameter_name = parameter_name.rsplit()[-1]
[c1e380e]960
[06b0138]961        # Extract changed value.
[8eaa101]962        if model_column == self.lstPoly.itemDelegate().poly_parameter:
[00b3b40]963            # Is the parameter checked for fitting?
[0268aed]964            value = item.checkState()
[1643d8ed]965            parameter_name = parameter_name + '.width'
[c1e380e]966            if value == QtCore.Qt.Checked:
967                self.parameters_to_fit.append(parameter_name)
968            else:
969                if parameter_name in self.parameters_to_fit:
970                    self.parameters_to_fit.remove(parameter_name)
[b00414d]971            self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded)
[c1e380e]972            return
[8eaa101]973        elif model_column in [self.lstPoly.itemDelegate().poly_min, self.lstPoly.itemDelegate().poly_max]:
[aca8418]974            try:
[fbfc488]975                value = GuiUtils.toDouble(item.text())
[0261bc1]976            except TypeError:
[aca8418]977                # Can't be converted properly, bring back the old value and exit
978                return
979
980            current_details = self.kernel_module.details[parameter_name]
981            current_details[model_column-1] = value
[8eaa101]982        elif model_column == self.lstPoly.itemDelegate().poly_function:
[919d47c]983            # name of the function - just pass
984            return
[0268aed]985        else:
986            try:
[fbfc488]987                value = GuiUtils.toDouble(item.text())
[0261bc1]988            except TypeError:
[0268aed]989                # Can't be converted properly, bring back the old value and exit
990                return
991
[aca8418]992            # Update the sasmodel
993            # PD[ratio] -> width, npts -> npts, nsigs -> nsigmas
[919d47c]994            self.kernel_module.setParam(parameter_name + '.' + \
[8eaa101]995                                        self.lstPoly.itemDelegate().columnDict()[model_column], value)
[0268aed]996
[9c0ce68]997            # Update plot
998            self.updateData()
999
[b00414d]1000    def onMagnetModelChange(self, item):
1001        """
1002        Callback method for updating the sasmodel magnetic parameters with the GUI values
1003        """
1004        model_column = item.column()
1005        model_row = item.row()
1006        name_index = self._magnet_model.index(model_row, 0)
[fbfc488]1007        parameter_name = str(self._magnet_model.data(name_index))
[b00414d]1008
1009        if model_column == 0:
1010            value = item.checkState()
1011            if value == QtCore.Qt.Checked:
1012                self.parameters_to_fit.append(parameter_name)
1013            else:
1014                if parameter_name in self.parameters_to_fit:
1015                    self.parameters_to_fit.remove(parameter_name)
1016            self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded)
1017            # Update state stack
1018            self.updateUndo()
1019            return
1020
1021        # Extract changed value.
1022        try:
[fbfc488]1023            value = GuiUtils.toDouble(item.text())
[0261bc1]1024        except TypeError:
[b00414d]1025            # Unparsable field
1026            return
1027
[fbfc488]1028        property_index = self._magnet_model.headerData(1, model_column)-1 # Value, min, max, etc.
[b00414d]1029
1030        # Update the parameter value - note: this supports +/-inf as well
1031        self.kernel_module.params[parameter_name] = value
1032
1033        # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf]
1034        self.kernel_module.details[parameter_name][property_index] = value
1035
1036        # Force the chart update when actual parameters changed
1037        if model_column == 1:
1038            self.recalculatePlotData()
1039
1040        # Update state stack
1041        self.updateUndo()
1042
[2add354]1043    def onHelp(self):
1044        """
1045        Show the "Fitting" section of help
1046        """
[e90988c]1047        tree_location = "/user/sasgui/perspectives/fitting/"
[70080a0]1048
1049        # Actual file will depend on the current tab
1050        tab_id = self.tabFitting.currentIndex()
1051        helpfile = "fitting.html"
1052        if tab_id == 0:
1053            helpfile = "fitting_help.html"
1054        elif tab_id == 1:
1055            helpfile = "residuals_help.html"
1056        elif tab_id == 2:
[e90988c]1057            helpfile = "resolution.html"
[70080a0]1058        elif tab_id == 3:
[e90988c]1059            helpfile = "pd/polydispersity.html"
[70080a0]1060        elif tab_id == 4:
[e90988c]1061            helpfile = "magnetism/magnetism.html"
[70080a0]1062        help_location = tree_location + helpfile
[d6b8a1d]1063
[e90988c]1064        self.showHelp(help_location)
1065
1066    def showHelp(self, url):
1067        """
1068        Calls parent's method for opening an HTML page
1069        """
1070        self.parent.showHelp(url)
[2add354]1071
[6ff2eb3]1072    def onDisplayMagneticAngles(self):
1073        """
1074        Display a simple image showing direction of magnetic angles
1075        """
1076        self.magneticAnglesWidget.show()
1077
[0268aed]1078    def onFit(self):
1079        """
1080        Perform fitting on the current data
1081        """
[116dd4c1]1082        # initialize fitter constants
[f182f93]1083        fit_id = 0
1084        handler = None
1085        batch_inputs = {}
1086        batch_outputs = {}
1087        #---------------------------------
[7adc2a8]1088        if USING_TWISTED:
1089            handler = None
1090            updater = None
1091        else:
1092            handler = ConsoleUpdate(parent=self.parent,
1093                                    manager=self,
1094                                    improvement_delta=0.1)
1095            updater = handler.update_fit
[f182f93]1096
[116dd4c1]1097        # Prepare the fitter object
[c6343a5]1098        try:
1099            fitters, _ = self.prepareFitters()
1100        except ValueError as ex:
1101            # This should not happen! GUI explicitly forbids this situation
1102            self.communicate.statusBarUpdateSignal.emit('Fitting attempt without parameters.')
1103            return
[f182f93]1104
1105        # Create the fitting thread, based on the fitter
[ee18d33]1106        completefn = self.batchFitComplete if self.is_batch_fitting else self.fitComplete
1107
[f182f93]1108        calc_fit = FitThread(handler=handler,
[116dd4c1]1109                            fn=fitters,
1110                            batch_inputs=batch_inputs,
1111                            batch_outputs=batch_outputs,
1112                            page_id=[[self.page_id]],
1113                            updatefn=updater,
1114                            completefn=completefn)
[7adc2a8]1115
1116        if USING_TWISTED:
1117            # start the trhrhread with twisted
1118            calc_thread = threads.deferToThread(calc_fit.compute)
1119            calc_thread.addCallback(self.fitComplete)
1120            calc_thread.addErrback(self.fitFailed)
1121        else:
1122            # Use the old python threads + Queue
1123            calc_fit.queue()
1124            calc_fit.ready(2.5)
[f182f93]1125
1126
1127        #disable the Fit button
[7adc2a8]1128        self.cmdFit.setText('Running...')
[d7ff531]1129        self.communicate.statusBarUpdateSignal.emit('Fitting started...')
[f182f93]1130        self.cmdFit.setEnabled(False)
[0268aed]1131
[f182f93]1132    def updateFit(self):
1133        """
1134        """
[b3e8629]1135        print("UPDATE FIT")
[0268aed]1136        pass
1137
[02ddfb4]1138    def fitFailed(self, reason):
1139        """
1140        """
[b3e8629]1141        print("FIT FAILED: ", reason)
[02ddfb4]1142        pass
1143
[ee18d33]1144    def batchFitComplete(self, result):
1145        """
1146        Receive and display batch fitting results
1147        """
1148        #re-enable the Fit button
1149        self.cmdFit.setText("Fit")
1150        self.cmdFit.setEnabled(True)
1151
1152        print ("BATCH FITTING FINISHED")
1153        # Add the Qt version of wx.aui.AuiNotebook and populate it
1154        pass
1155
[f182f93]1156    def fitComplete(self, result):
1157        """
1158        Receive and display fitting results
1159        "result" is a tuple of actual result list and the fit time in seconds
1160        """
1161        #re-enable the Fit button
1162        self.cmdFit.setText("Fit")
1163        self.cmdFit.setEnabled(True)
[d7ff531]1164
1165        assert result is not None
1166
[ee18d33]1167        res_list = result[0][0]
[f182f93]1168        res = res_list[0]
1169        if res.fitness is None or \
[180bd54]1170            not np.isfinite(res.fitness) or \
[1bc27f1]1171            np.any(res.pvec is None) or \
[180bd54]1172            not np.all(np.isfinite(res.pvec)):
[eae226b]1173            msg = "Fitting did not converge!"
[454670d]1174            self.communicate.statusBarUpdateSignal.emit(msg)
[f182f93]1175            logging.error(msg)
1176            return
1177
1178        elapsed = result[1]
1179        msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed)
1180        self.communicate.statusBarUpdateSignal.emit(msg)
1181
[2add354]1182        self.chi2 = res.fitness
[aca8418]1183        param_list = res.param_list # ['radius', 'radius.width']
1184        param_values = res.pvec     # array([ 0.36221662,  0.0146783 ])
1185        param_stderr = res.stderr   # array([ 1.71293015,  1.71294233])
[b3e8629]1186        params_and_errors = list(zip(param_values, param_stderr))
1187        param_dict = dict(zip(param_list, params_and_errors))
[f182f93]1188
1189        # Dictionary of fitted parameter: value, error
1190        # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)}
1191        self.updateModelFromList(param_dict)
1192
[aca8418]1193        self.updatePolyModelFromList(param_dict)
1194
[b00414d]1195        self.updateMagnetModelFromList(param_dict)
1196
[d7ff531]1197        # update charts
1198        self.onPlot()
1199
[f182f93]1200        # Read only value - we can get away by just printing it here
[2add354]1201        chi2_repr = GuiUtils.formatNumber(self.chi2, high=True)
[f182f93]1202        self.lblChi2Value.setText(chi2_repr)
1203
[116dd4c1]1204    def prepareFitters(self, fitter=None, fit_id=0):
1205        """
1206        Prepare the Fitter object for use in fitting
1207        """
1208        # fitter = None -> single/batch fitting
1209        # fitter = Fit() -> simultaneous fitting
1210
1211        # Data going in
1212        data = self.logic.data
1213        model = self.kernel_module
1214        qmin = self.q_range_min
1215        qmax = self.q_range_max
1216        params_to_fit = self.parameters_to_fit
[c6343a5]1217        if (not params_to_fit):
1218            raise ValueError('Fitting requires at least one parameter to optimize.')
[116dd4c1]1219
1220        # Potential weights added directly to data
1221        self.addWeightingToData(data)
1222
1223        # Potential smearing added
1224        # Remember that smearing_min/max can be None ->
1225        # deal with it until Python gets discriminated unions
1226        smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state()
1227
1228        constraints = self.getConstraintsForModel()
1229        smearer = None
1230        handler = None
1231        batch_inputs = {}
1232        batch_outputs = {}
1233
1234        fitters = []
1235        for fit_index in self.all_data:
1236            fitter_single = Fit() if fitter is None else fitter
1237            data = GuiUtils.dataFromItem(fit_index)
1238            try:
1239                fitter_single.set_model(model, fit_id, params_to_fit, data=data,
1240                             constraints=constraints)
1241            except ValueError as ex:
1242                logging.error("Setting model parameters failed with: %s" % ex)
1243                return
1244
1245            qmin, qmax, _ = self.logic.computeRangeFromData(data)
1246            fitter_single.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin,
1247                            qmax=qmax)
1248            fitter_single.select_problem_for_fit(id=fit_id, value=1)
1249            if fitter is None:
1250                # Assign id to the new fitter only
1251                fitter_single.fitter_id = [self.page_id]
1252            fit_id += 1
1253            fitters.append(fitter_single)
1254
1255        return fitters, fit_id
1256
[f182f93]1257    def iterateOverModel(self, func):
1258        """
1259        Take func and throw it inside the model row loop
1260        """
[b3e8629]1261        for row_i in range(self._model_model.rowCount()):
[f182f93]1262            func(row_i)
1263
1264    def updateModelFromList(self, param_dict):
1265        """
1266        Update the model with new parameters, create the errors column
1267        """
1268        assert isinstance(param_dict, dict)
1269        if not dict:
1270            return
1271
[919d47c]1272        def updateFittedValues(row):
[f182f93]1273            # Utility function for main model update
[d7ff531]1274            # internal so can use closure for param_dict
[919d47c]1275            param_name = str(self._model_model.item(row, 0).text())
[b3e8629]1276            if param_name not in list(param_dict.keys()):
[f182f93]1277                return
1278            # modify the param value
[454670d]1279            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
[919d47c]1280            self._model_model.item(row, 1).setText(param_repr)
[f182f93]1281            if self.has_error_column:
[454670d]1282                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
[919d47c]1283                self._model_model.item(row, 2).setText(error_repr)
[f182f93]1284
[919d47c]1285        def updatePolyValues(row):
1286            # Utility function for updateof polydispersity part of the main model
1287            param_name = str(self._model_model.item(row, 0).text())+'.width'
[b3e8629]1288            if param_name not in list(param_dict.keys()):
[919d47c]1289                return
1290            # modify the param value
1291            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1292            self._model_model.item(row, 0).child(0).child(0,1).setText(param_repr)
1293
1294        def createErrorColumn(row):
[f182f93]1295            # Utility function for error column update
1296            item = QtGui.QStandardItem()
[919d47c]1297            def createItem(param_name):
[f182f93]1298                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1299                item.setText(error_repr)
[919d47c]1300            def curr_param():
1301                return str(self._model_model.item(row, 0).text())
1302
[b3e8629]1303            [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name]
[919d47c]1304
[f182f93]1305            error_column.append(item)
1306
[2da5759]1307        # block signals temporarily, so we don't end up
1308        # updating charts with every single model change on the end of fitting
1309        self._model_model.blockSignals(True)
[d7ff531]1310        self.iterateOverModel(updateFittedValues)
[919d47c]1311        self.iterateOverModel(updatePolyValues)
[2da5759]1312        self._model_model.blockSignals(False)
[f182f93]1313
1314        if self.has_error_column:
1315            return
1316
1317        error_column = []
[8f2548c]1318        self.lstParams.itemDelegate().addErrorColumn()
[d7ff531]1319        self.iterateOverModel(createErrorColumn)
[f182f93]1320
[d7ff531]1321        # switch off reponse to model change
1322        self._model_model.blockSignals(True)
[f182f93]1323        self._model_model.insertColumn(2, error_column)
[d7ff531]1324        self._model_model.blockSignals(False)
[f182f93]1325        FittingUtilities.addErrorHeadersToModel(self._model_model)
[d7ff531]1326        # Adjust the table cells width.
1327        # TODO: find a way to dynamically adjust column width while resized expanding
1328        self.lstParams.resizeColumnToContents(0)
1329        self.lstParams.resizeColumnToContents(4)
1330        self.lstParams.resizeColumnToContents(5)
[4992ff2]1331        self.lstParams.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
[d7ff531]1332
1333        self.has_error_column = True
[f182f93]1334
[aca8418]1335    def updatePolyModelFromList(self, param_dict):
1336        """
1337        Update the polydispersity model with new parameters, create the errors column
1338        """
1339        assert isinstance(param_dict, dict)
1340        if not dict:
1341            return
1342
[b00414d]1343        def iterateOverPolyModel(func):
1344            """
1345            Take func and throw it inside the poly model row loop
1346            """
[b3e8629]1347            for row_i in range(self._poly_model.rowCount()):
[b00414d]1348                func(row_i)
1349
[aca8418]1350        def updateFittedValues(row_i):
1351            # Utility function for main model update
1352            # internal so can use closure for param_dict
1353            if row_i >= self._poly_model.rowCount():
1354                return
1355            param_name = str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width'
[b3e8629]1356            if param_name not in list(param_dict.keys()):
[aca8418]1357                return
1358            # modify the param value
1359            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1360            self._poly_model.item(row_i, 1).setText(param_repr)
1361            if self.has_poly_error_column:
1362                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1363                self._poly_model.item(row_i, 2).setText(error_repr)
1364
[919d47c]1365
[aca8418]1366        def createErrorColumn(row_i):
1367            # Utility function for error column update
1368            if row_i >= self._poly_model.rowCount():
1369                return
1370            item = QtGui.QStandardItem()
[919d47c]1371
1372            def createItem(param_name):
[aca8418]1373                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1374                item.setText(error_repr)
[919d47c]1375
1376            def poly_param():
1377                return str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width'
1378
[b3e8629]1379            [createItem(param_name) for param_name in list(param_dict.keys()) if poly_param() == param_name]
[919d47c]1380
[aca8418]1381            error_column.append(item)
1382
1383        # block signals temporarily, so we don't end up
1384        # updating charts with every single model change on the end of fitting
1385        self._poly_model.blockSignals(True)
[b00414d]1386        iterateOverPolyModel(updateFittedValues)
[aca8418]1387        self._poly_model.blockSignals(False)
1388
1389        if self.has_poly_error_column:
1390            return
1391
[8eaa101]1392        self.lstPoly.itemDelegate().addErrorColumn()
[aca8418]1393        error_column = []
[b00414d]1394        iterateOverPolyModel(createErrorColumn)
[aca8418]1395
1396        # switch off reponse to model change
1397        self._poly_model.blockSignals(True)
1398        self._poly_model.insertColumn(2, error_column)
1399        self._poly_model.blockSignals(False)
1400        FittingUtilities.addErrorPolyHeadersToModel(self._poly_model)
1401
1402        self.has_poly_error_column = True
1403
[b00414d]1404    def updateMagnetModelFromList(self, param_dict):
1405        """
1406        Update the magnetic model with new parameters, create the errors column
1407        """
1408        assert isinstance(param_dict, dict)
1409        if not dict:
1410            return
[cee5c78]1411        if self._model_model.rowCount() == 0:
1412            return
[b00414d]1413
1414        def iterateOverMagnetModel(func):
1415            """
1416            Take func and throw it inside the magnet model row loop
1417            """
[b3e8629]1418            for row_i in range(self._model_model.rowCount()):
[b00414d]1419                func(row_i)
1420
1421        def updateFittedValues(row):
1422            # Utility function for main model update
1423            # internal so can use closure for param_dict
[cee5c78]1424            if self._magnet_model.item(row, 0) is None:
1425                return
[b00414d]1426            param_name = str(self._magnet_model.item(row, 0).text())
[b3e8629]1427            if param_name not in list(param_dict.keys()):
[b00414d]1428                return
1429            # modify the param value
1430            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1431            self._magnet_model.item(row, 1).setText(param_repr)
1432            if self.has_magnet_error_column:
1433                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1434                self._magnet_model.item(row, 2).setText(error_repr)
1435
1436        def createErrorColumn(row):
1437            # Utility function for error column update
1438            item = QtGui.QStandardItem()
1439            def createItem(param_name):
1440                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1441                item.setText(error_repr)
1442            def curr_param():
1443                return str(self._magnet_model.item(row, 0).text())
1444
[b3e8629]1445            [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name]
[b00414d]1446
1447            error_column.append(item)
1448
1449        # block signals temporarily, so we don't end up
1450        # updating charts with every single model change on the end of fitting
1451        self._magnet_model.blockSignals(True)
1452        iterateOverMagnetModel(updateFittedValues)
1453        self._magnet_model.blockSignals(False)
1454
1455        if self.has_magnet_error_column:
1456            return
1457
1458        self.lstMagnetic.itemDelegate().addErrorColumn()
1459        error_column = []
1460        iterateOverMagnetModel(createErrorColumn)
1461
1462        # switch off reponse to model change
1463        self._magnet_model.blockSignals(True)
1464        self._magnet_model.insertColumn(2, error_column)
1465        self._magnet_model.blockSignals(False)
1466        FittingUtilities.addErrorHeadersToModel(self._magnet_model)
1467
1468        self.has_magnet_error_column = True
1469
[0268aed]1470    def onPlot(self):
1471        """
1472        Plot the current set of data
1473        """
[d48cc19]1474        # Regardless of previous state, this should now be `plot show` functionality only
1475        self.cmdPlot.setText("Show Plot")
[88e1f57]1476        # Force data recalculation so existing charts are updated
1477        self.recalculatePlotData()
[d48cc19]1478        self.showPlot()
1479
1480    def recalculatePlotData(self):
1481        """
1482        Generate a new dataset for model
1483        """
[180bd54]1484        if not self.data_is_loaded:
[0268aed]1485            self.createDefaultDataset()
1486        self.calculateQGridForModel()
1487
[d48cc19]1488    def showPlot(self):
1489        """
1490        Show the current plot in MPL
1491        """
1492        # Show the chart if ready
1493        data_to_show = self.data if self.data_is_loaded else self.model_data
1494        if data_to_show is not None:
1495            self.communicate.plotRequestedSignal.emit([data_to_show])
1496
[180bd54]1497    def onOptionsUpdate(self):
[0268aed]1498        """
[180bd54]1499        Update local option values and replot
[0268aed]1500        """
[180bd54]1501        self.q_range_min, self.q_range_max, self.npts, self.log_points, self.weighting = \
1502            self.options_widget.state()
[61a92d4]1503        # set Q range labels on the main tab
1504        self.lblMinRangeDef.setText(str(self.q_range_min))
1505        self.lblMaxRangeDef.setText(str(self.q_range_max))
[d48cc19]1506        self.recalculatePlotData()
[6c8fb2c]1507
[0268aed]1508    def setDefaultStructureCombo(self):
1509        """
1510        Fill in the structure factors combo box with defaults
1511        """
1512        structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE)
1513        factors = [factor[0] for factor in structure_factor_list]
1514        factors.insert(0, STRUCTURE_DEFAULT)
1515        self.cbStructureFactor.clear()
1516        self.cbStructureFactor.addItems(sorted(factors))
1517
[4d457df]1518    def createDefaultDataset(self):
1519        """
1520        Generate default Dataset 1D/2D for the given model
1521        """
1522        # Create default datasets if no data passed
1523        if self.is2D:
[180bd54]1524            qmax = self.q_range_max/np.sqrt(2)
[4d457df]1525            qstep = self.npts
1526            self.logic.createDefault2dData(qmax, qstep, self.tab_id)
[180bd54]1527            return
1528        elif self.log_points:
1529            qmin = -10.0 if self.q_range_min < 1.e-10 else np.log10(self.q_range_min)
[1bc27f1]1530            qmax = 10.0 if self.q_range_max > 1.e10 else np.log10(self.q_range_max)
[180bd54]1531            interval = np.logspace(start=qmin, stop=qmax, num=self.npts, endpoint=True, base=10.0)
[4d457df]1532        else:
[180bd54]1533            interval = np.linspace(start=self.q_range_min, stop=self.q_range_max,
[1bc27f1]1534                                   num=self.npts, endpoint=True)
[180bd54]1535        self.logic.createDefault1dData(interval, self.tab_id)
[60af928]1536
[5236449]1537    def readCategoryInfo(self):
[60af928]1538        """
1539        Reads the categories in from file
1540        """
1541        self.master_category_dict = defaultdict(list)
1542        self.by_model_dict = defaultdict(list)
1543        self.model_enabled_dict = defaultdict(bool)
1544
[cbcdd2c]1545        categorization_file = CategoryInstaller.get_user_file()
1546        if not os.path.isfile(categorization_file):
1547            categorization_file = CategoryInstaller.get_default_file()
1548        with open(categorization_file, 'rb') as cat_file:
[60af928]1549            self.master_category_dict = json.load(cat_file)
[5236449]1550            self.regenerateModelDict()
[60af928]1551
[5236449]1552        # Load the model dict
1553        models = load_standard_models()
1554        for model in models:
1555            self.models[model.name] = model
1556
1557    def regenerateModelDict(self):
[60af928]1558        """
[cbcdd2c]1559        Regenerates self.by_model_dict which has each model name as the
[60af928]1560        key and the list of categories belonging to that model
1561        along with the enabled mapping
1562        """
1563        self.by_model_dict = defaultdict(list)
1564        for category in self.master_category_dict:
1565            for (model, enabled) in self.master_category_dict[category]:
1566                self.by_model_dict[model].append(category)
1567                self.model_enabled_dict[model] = enabled
1568
[86f88d1]1569    def addBackgroundToModel(self, model):
1570        """
1571        Adds background parameter with default values to the model
1572        """
[cbcdd2c]1573        assert isinstance(model, QtGui.QStandardItemModel)
[86f88d1]1574        checked_list = ['background', '0.001', '-inf', 'inf', '1/cm']
[4d457df]1575        FittingUtilities.addCheckedListToModel(model, checked_list)
[2add354]1576        last_row = model.rowCount()-1
1577        model.item(last_row, 0).setEditable(False)
1578        model.item(last_row, 4).setEditable(False)
[86f88d1]1579
1580    def addScaleToModel(self, model):
1581        """
1582        Adds scale parameter with default values to the model
1583        """
[cbcdd2c]1584        assert isinstance(model, QtGui.QStandardItemModel)
[86f88d1]1585        checked_list = ['scale', '1.0', '0.0', 'inf', '']
[4d457df]1586        FittingUtilities.addCheckedListToModel(model, checked_list)
[2add354]1587        last_row = model.rowCount()-1
1588        model.item(last_row, 0).setEditable(False)
1589        model.item(last_row, 4).setEditable(False)
[86f88d1]1590
[9d266d2]1591    def addWeightingToData(self, data):
1592        """
1593        Adds weighting contribution to fitting data
[1bc27f1]1594        """
[e1e3e09]1595        # Send original data for weighting
[dc5ef15]1596        weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting)
[180bd54]1597        update_module = data.err_data if self.is2D else data.dy
[6964d44]1598        # Overwrite relevant values in data
[180bd54]1599        update_module = weight
[9d266d2]1600
[0268aed]1601    def updateQRange(self):
1602        """
1603        Updates Q Range display
1604        """
1605        if self.data_is_loaded:
1606            self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange()
1607        # set Q range labels on the main tab
1608        self.lblMinRangeDef.setText(str(self.q_range_min))
1609        self.lblMaxRangeDef.setText(str(self.q_range_max))
1610        # set Q range labels on the options tab
[180bd54]1611        self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts)
[0268aed]1612
[4d457df]1613    def SASModelToQModel(self, model_name, structure_factor=None):
[60af928]1614        """
[cbcdd2c]1615        Setting model parameters into table based on selected category
[60af928]1616        """
1617        # Crete/overwrite model items
1618        self._model_model.clear()
[5236449]1619
[fd1ae6d1]1620        # First, add parameters from the main model
1621        if model_name is not None:
1622            self.fromModelToQModel(model_name)
[5236449]1623
[fd1ae6d1]1624        # Then, add structure factor derived parameters
[cd31251]1625        if structure_factor is not None and structure_factor != "None":
[fd1ae6d1]1626            if model_name is None:
1627                # Instantiate the current sasmodel for SF-only models
1628                self.kernel_module = self.models[structure_factor]()
1629            self.fromStructureFactorToQModel(structure_factor)
[cd31251]1630        else:
[fd1ae6d1]1631            # Allow the SF combobox visibility for the given sasmodel
1632            self.enableStructureFactorControl(structure_factor)
[cd31251]1633
[fd1ae6d1]1634        # Then, add multishells
1635        if model_name is not None:
1636            # Multishell models need additional treatment
1637            self.addExtraShells()
[86f88d1]1638
[5236449]1639        # Add polydispersity to the model
[86f88d1]1640        self.setPolyModel()
[5236449]1641        # Add magnetic parameters to the model
[86f88d1]1642        self.setMagneticModel()
[5236449]1643
[a9b568c]1644        # Adjust the table cells width
1645        self.lstParams.resizeColumnToContents(0)
[4992ff2]1646        self.lstParams.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
[a9b568c]1647
[5236449]1648        # Now we claim the model has been loaded
[86f88d1]1649        self.model_is_loaded = True
[be8f4b0]1650        # Change the model name to a monicker
1651        self.kernel_module.name = self.modelName()
[86f88d1]1652
[fd1ae6d1]1653        # (Re)-create headers
1654        FittingUtilities.addHeadersToModel(self._model_model)
[6964d44]1655        self.lstParams.header().setFont(self.boldFont)
[fd1ae6d1]1656
[5236449]1657        # Update Q Ranges
1658        self.updateQRange()
1659
[fd1ae6d1]1660    def fromModelToQModel(self, model_name):
1661        """
1662        Setting model parameters into QStandardItemModel based on selected _model_
1663        """
1664        kernel_module = generate.load_kernel_module(model_name)
1665        self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', []))
1666
1667        # Instantiate the current sasmodel
1668        self.kernel_module = self.models[model_name]()
1669
1670        # Explicitly add scale and background with default values
[6964d44]1671        temp_undo_state = self.undo_supported
1672        self.undo_supported = False
[fd1ae6d1]1673        self.addScaleToModel(self._model_model)
1674        self.addBackgroundToModel(self._model_model)
[6964d44]1675        self.undo_supported = temp_undo_state
[fd1ae6d1]1676
[0d13814]1677        self.shell_names = self.shellNamesList()
1678
[fd1ae6d1]1679        # Update the QModel
[aca8418]1680        new_rows = FittingUtilities.addParametersToModel(self.model_parameters, self.kernel_module, self.is2D)
1681
[fd1ae6d1]1682        for row in new_rows:
1683            self._model_model.appendRow(row)
1684        # Update the counter used for multishell display
1685        self._last_model_row = self._model_model.rowCount()
1686
1687    def fromStructureFactorToQModel(self, structure_factor):
1688        """
1689        Setting model parameters into QStandardItemModel based on selected _structure factor_
1690        """
1691        structure_module = generate.load_kernel_module(structure_factor)
1692        structure_parameters = modelinfo.make_parameter_table(getattr(structure_module, 'parameters', []))
[5d1440e1]1693        structure_kernel = self.models[structure_factor]()
1694
1695        self.kernel_module._model_info = product.make_product_info(self.kernel_module._model_info, structure_kernel._model_info)
[fd1ae6d1]1696
1697        new_rows = FittingUtilities.addSimpleParametersToModel(structure_parameters, self.is2D)
1698        for row in new_rows:
1699            self._model_model.appendRow(row)
1700        # Update the counter used for multishell display
1701        self._last_model_row = self._model_model.rowCount()
1702
[b00414d]1703    def onMainParamsChange(self, item):
[cd31251]1704        """
1705        Callback method for updating the sasmodel parameters with the GUI values
1706        """
[cbcdd2c]1707        model_column = item.column()
[cd31251]1708
1709        if model_column == 0:
[f182f93]1710            self.checkboxSelected(item)
[2add354]1711            self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded)
[6964d44]1712            # Update state stack
1713            self.updateUndo()
[cd31251]1714            return
1715
[f182f93]1716        model_row = item.row()
1717        name_index = self._model_model.index(model_row, 0)
1718
[b00414d]1719        # Extract changed value.
[2add354]1720        try:
[fbfc488]1721            value = GuiUtils.toDouble(item.text())
[0261bc1]1722        except TypeError:
[2add354]1723            # Unparsable field
1724            return
[fbfc488]1725
1726        parameter_name = str(self._model_model.data(name_index)) # sld, background etc.
[cbcdd2c]1727
[00b3b40]1728        # Update the parameter value - note: this supports +/-inf as well
[cbcdd2c]1729        self.kernel_module.params[parameter_name] = value
1730
[8a32a6ff]1731        # Update the parameter value - note: this supports +/-inf as well
[8f2548c]1732        param_column = self.lstParams.itemDelegate().param_value
1733        min_column = self.lstParams.itemDelegate().param_min
1734        max_column = self.lstParams.itemDelegate().param_max
1735        if model_column == param_column:
[8a32a6ff]1736            self.kernel_module.setParam(parameter_name, value)
[8f2548c]1737        elif model_column == min_column:
[8a32a6ff]1738            # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf]
[8f2548c]1739            self.kernel_module.details[parameter_name][1] = value
1740        elif model_column == max_column:
1741            self.kernel_module.details[parameter_name][2] = value
1742        else:
1743            # don't update the chart
1744            return
[00b3b40]1745
1746        # TODO: magnetic params in self.kernel_module.details['M0:parameter_name'] = value
1747        # TODO: multishell params in self.kernel_module.details[??] = value
[cbcdd2c]1748
[d7ff531]1749        # Force the chart update when actual parameters changed
1750        if model_column == 1:
[d48cc19]1751            self.recalculatePlotData()
[7d077d1]1752
[2241130]1753        # Update state stack
[00b3b40]1754        self.updateUndo()
[2241130]1755
[7fd20fc]1756    def isCheckable(self, row):
1757        return self._model_model.item(row, 0).isCheckable()
1758
[f182f93]1759    def checkboxSelected(self, item):
1760        # Assure we're dealing with checkboxes
1761        if not item.isCheckable():
1762            return
1763        status = item.checkState()
1764
1765        # If multiple rows selected - toggle all of them, filtering uncheckable
1766        # Switch off signaling from the model to avoid recursion
1767        self._model_model.blockSignals(True)
1768        # Convert to proper indices and set requested enablement
[7fd20fc]1769        self.setParameterSelection(status)
1770        #[self._model_model.item(row, 0).setCheckState(status) for row in self.selectedParameters()]
[f182f93]1771        self._model_model.blockSignals(False)
1772
1773        # update the list of parameters to fit
[c1e380e]1774        main_params = self.checkedListFromModel(self._model_model)
1775        poly_params = self.checkedListFromModel(self._poly_model)
[b00414d]1776        magnet_params = self.checkedListFromModel(self._magnet_model)
1777
[c1e380e]1778        # Retrieve poly params names
[358b39d]1779        poly_params = [param.rsplit()[-1] + '.width' for param in poly_params]
[c1e380e]1780
[b00414d]1781        self.parameters_to_fit = main_params + poly_params + magnet_params
[c1e380e]1782
1783    def checkedListFromModel(self, model):
1784        """
1785        Returns list of checked parameters for given model
1786        """
1787        def isChecked(row):
1788            return model.item(row, 0).checkState() == QtCore.Qt.Checked
1789
1790        return [str(model.item(row_index, 0).text())
[b3e8629]1791                for row_index in range(model.rowCount())
[c1e380e]1792                if isChecked(row_index)]
[f182f93]1793
[6fd4e36]1794    def createNewIndex(self, fitted_data):
1795        """
1796        Create a model or theory index with passed Data1D/Data2D
1797        """
1798        if self.data_is_loaded:
[0268aed]1799            if not fitted_data.name:
1800                name = self.nameForFittedData(self.data.filename)
1801                fitted_data.title = name
1802                fitted_data.name = name
1803                fitted_data.filename = name
[7d077d1]1804                fitted_data.symbol = "Line"
[6fd4e36]1805            self.updateModelIndex(fitted_data)
1806        else:
[0268aed]1807            name = self.nameForFittedData(self.kernel_module.name)
1808            fitted_data.title = name
1809            fitted_data.name = name
1810            fitted_data.filename = name
1811            fitted_data.symbol = "Line"
[6fd4e36]1812            self.createTheoryIndex(fitted_data)
1813
1814    def updateModelIndex(self, fitted_data):
1815        """
1816        Update a QStandardModelIndex containing model data
1817        """
[00b3b40]1818        name = self.nameFromData(fitted_data)
[0268aed]1819        # Make this a line if no other defined
[7d077d1]1820        if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None:
[0268aed]1821            fitted_data.symbol = 'Line'
[6fd4e36]1822        # Notify the GUI manager so it can update the main model in DataExplorer
[b3e8629]1823        GuiUtils.updateModelItemWithPlot(self._index, fitted_data, name)
[6fd4e36]1824
1825    def createTheoryIndex(self, fitted_data):
1826        """
1827        Create a QStandardModelIndex containing model data
1828        """
[00b3b40]1829        name = self.nameFromData(fitted_data)
1830        # Notify the GUI manager so it can create the theory model in DataExplorer
[b3e8629]1831        new_item = GuiUtils.createModelItemWithPlot(fitted_data, name=name)
[00b3b40]1832        self.communicate.updateTheoryFromPerspectiveSignal.emit(new_item)
1833
1834    def nameFromData(self, fitted_data):
1835        """
1836        Return name for the dataset. Terribly impure function.
1837        """
[0268aed]1838        if fitted_data.name is None:
[00b3b40]1839            name = self.nameForFittedData(self.logic.data.filename)
[0268aed]1840            fitted_data.title = name
1841            fitted_data.name = name
1842            fitted_data.filename = name
1843        else:
1844            name = fitted_data.name
[00b3b40]1845        return name
[5236449]1846
[4d457df]1847    def methodCalculateForData(self):
1848        '''return the method for data calculation'''
1849        return Calc1D if isinstance(self.data, Data1D) else Calc2D
1850
1851    def methodCompleteForData(self):
1852        '''return the method for result parsin on calc complete '''
1853        return self.complete1D if isinstance(self.data, Data1D) else self.complete2D
1854
[b1e36a3]1855    def calculateQGridForModel(self):
[86f88d1]1856        """
1857        Prepare the fitting data object, based on current ModelModel
1858        """
[180bd54]1859        if self.kernel_module is None:
1860            return
[4d457df]1861        # Awful API to a backend method.
1862        method = self.methodCalculateForData()(data=self.data,
[1bc27f1]1863                                               model=self.kernel_module,
1864                                               page_id=0,
1865                                               qmin=self.q_range_min,
1866                                               qmax=self.q_range_max,
1867                                               smearer=None,
1868                                               state=None,
1869                                               weight=None,
1870                                               fid=None,
1871                                               toggle_mode_on=False,
1872                                               completefn=None,
1873                                               update_chisqr=True,
1874                                               exception_handler=self.calcException,
1875                                               source=None)
[4d457df]1876
1877        calc_thread = threads.deferToThread(method.compute)
1878        calc_thread.addCallback(self.methodCompleteForData())
[c1e380e]1879        calc_thread.addErrback(self.calculateDataFailed)
[6964d44]1880
[aca8418]1881    def calculateDataFailed(self, reason):
[6964d44]1882        """
[c1e380e]1883        Thread returned error
[6964d44]1884        """
[b3e8629]1885        print("Calculate Data failed with ", reason)
[5236449]1886
[cbcdd2c]1887    def complete1D(self, return_data):
[5236449]1888        """
[4d457df]1889        Plot the current 1D data
1890        """
[d48cc19]1891        fitted_data = self.logic.new1DPlot(return_data, self.tab_id)
1892        self.calculateResiduals(fitted_data)
1893        self.model_data = fitted_data
[cbcdd2c]1894
1895    def complete2D(self, return_data):
1896        """
[4d457df]1897        Plot the current 2D data
1898        """
[6fd4e36]1899        fitted_data = self.logic.new2DPlot(return_data)
1900        self.calculateResiduals(fitted_data)
[d48cc19]1901        self.model_data = fitted_data
[6fd4e36]1902
1903    def calculateResiduals(self, fitted_data):
1904        """
1905        Calculate and print Chi2 and display chart of residuals
1906        """
1907        # Create a new index for holding data
[7d077d1]1908        fitted_data.symbol = "Line"
[6964d44]1909
1910        # Modify fitted_data with weighting
1911        self.addWeightingToData(fitted_data)
1912
[6fd4e36]1913        self.createNewIndex(fitted_data)
1914        # Calculate difference between return_data and logic.data
[2add354]1915        self.chi2 = FittingUtilities.calculateChi2(fitted_data, self.logic.data)
[6fd4e36]1916        # Update the control
[2add354]1917        chi2_repr = "---" if self.chi2 is None else GuiUtils.formatNumber(self.chi2, high=True)
[f182f93]1918        self.lblChi2Value.setText(chi2_repr)
[cbcdd2c]1919
[d48cc19]1920        self.communicate.plotUpdateSignal.emit([fitted_data])
1921
[0268aed]1922        # Plot residuals if actual data
[aca8418]1923        if not self.data_is_loaded:
1924            return
1925
1926        residuals_plot = FittingUtilities.plotResiduals(self.data, fitted_data)
1927        residuals_plot.id = "Residual " + residuals_plot.id
1928        self.createNewIndex(residuals_plot)
[d6b8a1d]1929        #self.communicate.plotUpdateSignal.emit([residuals_plot])
[5236449]1930
1931    def calcException(self, etype, value, tb):
1932        """
[c1e380e]1933        Thread threw an exception.
[5236449]1934        """
[c1e380e]1935        # TODO: remimplement thread cancellation
[5236449]1936        logging.error("".join(traceback.format_exception(etype, value, tb)))
[60af928]1937
1938    def setTableProperties(self, table):
1939        """
1940        Setting table properties
1941        """
1942        # Table properties
1943        table.verticalHeader().setVisible(False)
1944        table.setAlternatingRowColors(True)
[4992ff2]1945        table.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
1946        table.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows)
[f46f6dc]1947        table.resizeColumnsToContents()
1948
[60af928]1949        # Header
1950        header = table.horizontalHeader()
[4992ff2]1951        header.setSectionResizeMode(QtWidgets.QHeaderView.ResizeToContents)
1952        header.ResizeMode(QtWidgets.QHeaderView.Interactive)
[f46f6dc]1953
[4992ff2]1954        # Qt5: the following 2 lines crash - figure out why!
[e43fc91]1955        # Resize column 0 and 7 to content
[4992ff2]1956        #header.setSectionResizeMode(0, QtWidgets.QHeaderView.ResizeToContents)
1957        #header.setSectionResizeMode(7, QtWidgets.QHeaderView.ResizeToContents)
[60af928]1958
1959    def setPolyModel(self):
1960        """
1961        Set polydispersity values
1962        """
[86f88d1]1963        if not self.model_parameters:
1964            return
1965        self._poly_model.clear()
1966
[e43fc91]1967        [self.setPolyModelParameters(i, param) for i, param in \
[aca8418]1968            enumerate(self.model_parameters.form_volume_parameters) if param.polydisperse]
[4d457df]1969        FittingUtilities.addPolyHeadersToModel(self._poly_model)
[60af928]1970
[e43fc91]1971    def setPolyModelParameters(self, i, param):
[aca8418]1972        """
[0d13814]1973        Standard of multishell poly parameter driver
[aca8418]1974        """
[0d13814]1975        param_name = param.name
1976        # see it the parameter is multishell
[06b0138]1977        if '[' in param.name:
[0d13814]1978            # Skip empty shells
1979            if self.current_shell_displayed == 0:
1980                return
1981            else:
1982                # Create as many entries as current shells
[b3e8629]1983                for ishell in range(1, self.current_shell_displayed+1):
[0d13814]1984                    # Remove [n] and add the shell numeral
1985                    name = param_name[0:param_name.index('[')] + str(ishell)
[e43fc91]1986                    self.addNameToPolyModel(i, name)
[0d13814]1987        else:
1988            # Just create a simple param entry
[e43fc91]1989            self.addNameToPolyModel(i, param_name)
[0d13814]1990
[e43fc91]1991    def addNameToPolyModel(self, i, param_name):
[0d13814]1992        """
1993        Creates a checked row in the poly model with param_name
1994        """
[144ec831]1995        # Polydisp. values from the sasmodel
[0d13814]1996        width = self.kernel_module.getParam(param_name + '.width')
1997        npts = self.kernel_module.getParam(param_name + '.npts')
1998        nsigs = self.kernel_module.getParam(param_name + '.nsigmas')
1999        _, min, max = self.kernel_module.details[param_name]
[144ec831]2000
2001        # Construct a row with polydisp. related variable.
2002        # This will get added to the polydisp. model
2003        # Note: last argument needs extra space padding for decent display of the control
[0d13814]2004        checked_list = ["Distribution of " + param_name, str(width),
2005                        str(min), str(max),
[e43fc91]2006                        str(npts), str(nsigs), "gaussian      ",'']
[aca8418]2007        FittingUtilities.addCheckedListToModel(self._poly_model, checked_list)
2008
2009        # All possible polydisp. functions as strings in combobox
[4992ff2]2010        func = QtWidgets.QComboBox()
[b3e8629]2011        func.addItems([str(name_disp) for name_disp in POLYDISPERSITY_MODELS.keys()])
[e43fc91]2012        # Set the default index
[aca8418]2013        func.setCurrentIndex(func.findText(DEFAULT_POLYDISP_FUNCTION))
[e43fc91]2014        ind = self._poly_model.index(i,self.lstPoly.itemDelegate().poly_function)
2015        self.lstPoly.setIndexWidget(ind, func)
2016        func.currentIndexChanged.connect(lambda: self.onPolyComboIndexChange(str(func.currentText()), i))
2017
2018    def onPolyFilenameChange(self, row_index):
2019        """
2020        Respond to filename_updated signal from the delegate
2021        """
2022        # For the given row, invoke the "array" combo handler
2023        array_caption = 'array'
[8222f171]2024
[e43fc91]2025        # Get the combo box reference
2026        ind = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
2027        widget = self.lstPoly.indexWidget(ind)
[8222f171]2028
[e43fc91]2029        # Update the combo box so it displays "array"
2030        widget.blockSignals(True)
2031        widget.setCurrentIndex(self.lstPoly.itemDelegate().POLYDISPERSE_FUNCTIONS.index(array_caption))
2032        widget.blockSignals(False)
[aca8418]2033
[8222f171]2034        # Invoke the file reader
2035        self.onPolyComboIndexChange(array_caption, row_index)
2036
[aca8418]2037    def onPolyComboIndexChange(self, combo_string, row_index):
2038        """
2039        Modify polydisp. defaults on function choice
2040        """
[144ec831]2041        # Get npts/nsigs for current selection
[aca8418]2042        param = self.model_parameters.form_volume_parameters[row_index]
[e43fc91]2043        file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
2044        combo_box = self.lstPoly.indexWidget(file_index)
[aca8418]2045
[919d47c]2046        def updateFunctionCaption(row):
2047            # Utility function for update of polydispersity function name in the main model
[1643d8ed]2048            param_name = str(self._model_model.item(row, 0).text())
[919d47c]2049            if param_name !=  param.name:
2050                return
[144ec831]2051            # Modify the param value
[919d47c]2052            self._model_model.item(row, 0).child(0).child(0,4).setText(combo_string)
2053
[aca8418]2054        if combo_string == 'array':
2055            try:
[e43fc91]2056                self.loadPolydispArray(row_index)
[919d47c]2057                # Update main model for display
2058                self.iterateOverModel(updateFunctionCaption)
[e43fc91]2059                # disable the row
2060                lo = self.lstPoly.itemDelegate().poly_pd
2061                hi = self.lstPoly.itemDelegate().poly_function
[b3e8629]2062                [self._poly_model.item(row_index, i).setEnabled(False) for i in range(lo, hi)]
[aca8418]2063                return
[e43fc91]2064            except IOError:
[8222f171]2065                combo_box.setCurrentIndex(self.orig_poly_index)
[e43fc91]2066                # Pass for cancel/bad read
2067                pass
[aca8418]2068
2069        # Enable the row in case it was disabled by Array
[919d47c]2070        self._poly_model.blockSignals(True)
[e43fc91]2071        max_range = self.lstPoly.itemDelegate().poly_filename
[b3e8629]2072        [self._poly_model.item(row_index, i).setEnabled(True) for i in range(7)]
[e43fc91]2073        file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
[b3e8629]2074        self._poly_model.setData(file_index, "")
[919d47c]2075        self._poly_model.blockSignals(False)
[aca8418]2076
[8eaa101]2077        npts_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_npts)
2078        nsigs_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_nsigs)
[aca8418]2079
2080        npts = POLYDISPERSITY_MODELS[str(combo_string)].default['npts']
2081        nsigs = POLYDISPERSITY_MODELS[str(combo_string)].default['nsigmas']
2082
[b3e8629]2083        self._poly_model.setData(npts_index, npts)
2084        self._poly_model.setData(nsigs_index, nsigs)
[aca8418]2085
[919d47c]2086        self.iterateOverModel(updateFunctionCaption)
[8222f171]2087        self.orig_poly_index = combo_box.currentIndex()
[919d47c]2088
[e43fc91]2089    def loadPolydispArray(self, row_index):
[aca8418]2090        """
2091        Show the load file dialog and loads requested data into state
2092        """
[4992ff2]2093        datafile = QtWidgets.QFileDialog.getOpenFileName(
2094            self, "Choose a weight file", "", "All files (*.*)", None,
[fbfc488]2095            QtWidgets.QFileDialog.DontUseNativeDialog)[0]
[72f4834]2096
[fbfc488]2097        if not datafile:
[aca8418]2098            logging.info("No weight data chosen.")
[1643d8ed]2099            raise IOError
[72f4834]2100
[aca8418]2101        values = []
2102        weights = []
[919d47c]2103        def appendData(data_tuple):
2104            """
2105            Fish out floats from a tuple of strings
2106            """
2107            try:
2108                values.append(float(data_tuple[0]))
2109                weights.append(float(data_tuple[1]))
2110            except (ValueError, IndexError):
2111                # just pass through if line with bad data
2112                return
2113
[aca8418]2114        with open(datafile, 'r') as column_file:
2115            column_data = [line.rstrip().split() for line in column_file.readlines()]
[919d47c]2116            [appendData(line) for line in column_data]
[aca8418]2117
[1643d8ed]2118        # If everything went well - update the sasmodel values
[aca8418]2119        self.disp_model = POLYDISPERSITY_MODELS['array']()
2120        self.disp_model.set_weights(np.array(values), np.array(weights))
[e43fc91]2121        # + update the cell with filename
2122        fname = os.path.basename(str(datafile))
2123        fname_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
[b3e8629]2124        self._poly_model.setData(fname_index, fname)
[aca8418]2125
[60af928]2126    def setMagneticModel(self):
2127        """
2128        Set magnetism values on model
2129        """
[86f88d1]2130        if not self.model_parameters:
2131            return
2132        self._magnet_model.clear()
[aca8418]2133        [self.addCheckedMagneticListToModel(param, self._magnet_model) for param in \
[06b0138]2134            self.model_parameters.call_parameters if param.type == 'magnetic']
[4d457df]2135        FittingUtilities.addHeadersToModel(self._magnet_model)
[60af928]2136
[0d13814]2137    def shellNamesList(self):
2138        """
2139        Returns list of names of all multi-shell parameters
2140        E.g. for sld[n], radius[n], n=1..3 it will return
2141        [sld1, sld2, sld3, radius1, radius2, radius3]
2142        """
2143        multi_names = [p.name[:p.name.index('[')] for p in self.model_parameters.iq_parameters if '[' in p.name]
2144        top_index = self.kernel_module.multiplicity_info.number
2145        shell_names = []
[b3e8629]2146        for i in range(1, top_index+1):
[0d13814]2147            for name in multi_names:
2148                shell_names.append(name+str(i))
2149        return shell_names
2150
[aca8418]2151    def addCheckedMagneticListToModel(self, param, model):
2152        """
2153        Wrapper for model update with a subset of magnetic parameters
2154        """
[0d13814]2155        if param.name[param.name.index(':')+1:] in self.shell_names:
2156            # check if two-digit shell number
2157            try:
2158                shell_index = int(param.name[-2:])
2159            except ValueError:
2160                shell_index = int(param.name[-1:])
2161
2162            if shell_index > self.current_shell_displayed:
2163                return
2164
[aca8418]2165        checked_list = [param.name,
2166                        str(param.default),
2167                        str(param.limits[0]),
2168                        str(param.limits[1]),
2169                        param.units]
2170
2171        FittingUtilities.addCheckedListToModel(model, checked_list)
2172
[fd1ae6d1]2173    def enableStructureFactorControl(self, structure_factor):
[cd31251]2174        """
2175        Add structure factors to the list of parameters
2176        """
[fd1ae6d1]2177        if self.kernel_module.is_form_factor or structure_factor == 'None':
[cd31251]2178            self.enableStructureCombo()
2179        else:
2180            self.disableStructureCombo()
2181
[60af928]2182    def addExtraShells(self):
2183        """
[f46f6dc]2184        Add a combobox for multiple shell display
[60af928]2185        """
[4d457df]2186        param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters)
[f46f6dc]2187
2188        if param_length == 0:
2189            return
2190
[6f7f652]2191        # cell 1: variable name
[f46f6dc]2192        item1 = QtGui.QStandardItem(param_name)
2193
[4992ff2]2194        func = QtWidgets.QComboBox()
[b1e36a3]2195        # Available range of shells displayed in the combobox
[b3e8629]2196        func.addItems([str(i) for i in range(param_length+1)])
[a9b568c]2197
[b1e36a3]2198        # Respond to index change
[86f88d1]2199        func.currentIndexChanged.connect(self.modifyShellsInList)
[60af928]2200
[6f7f652]2201        # cell 2: combobox
[f46f6dc]2202        item2 = QtGui.QStandardItem()
2203        self._model_model.appendRow([item1, item2])
[60af928]2204
[6f7f652]2205        # Beautify the row:  span columns 2-4
[60af928]2206        shell_row = self._model_model.rowCount()
[f46f6dc]2207        shell_index = self._model_model.index(shell_row-1, 1)
[86f88d1]2208
[4d457df]2209        self.lstParams.setIndexWidget(shell_index, func)
[86f88d1]2210        self._last_model_row = self._model_model.rowCount()
2211
[a9b568c]2212        # Set the index to the state-kept value
2213        func.setCurrentIndex(self.current_shell_displayed
2214                             if self.current_shell_displayed < func.count() else 0)
2215
[86f88d1]2216    def modifyShellsInList(self, index):
2217        """
2218        Add/remove additional multishell parameters
2219        """
2220        # Find row location of the combobox
2221        last_row = self._last_model_row
2222        remove_rows = self._model_model.rowCount() - last_row
2223
2224        if remove_rows > 1:
2225            self._model_model.removeRows(last_row, remove_rows)
2226
[4d457df]2227        FittingUtilities.addShellsToModel(self.model_parameters, self._model_model, index)
[a9b568c]2228        self.current_shell_displayed = index
[60af928]2229
[0d13814]2230        # Update relevant models
2231        self.setPolyModel()
2232        self.setMagneticModel()
2233
[672b8ab]2234    def readFitPage(self, fp):
2235        """
2236        Read in state from a fitpage object and update GUI
2237        """
2238        assert isinstance(fp, FitPage)
2239        # Main tab info
2240        self.logic.data.filename = fp.filename
2241        self.data_is_loaded = fp.data_is_loaded
2242        self.chkPolydispersity.setCheckState(fp.is_polydisperse)
2243        self.chkMagnetism.setCheckState(fp.is_magnetic)
2244        self.chk2DView.setCheckState(fp.is2D)
2245
2246        # Update the comboboxes
2247        self.cbCategory.setCurrentIndex(self.cbCategory.findText(fp.current_category))
2248        self.cbModel.setCurrentIndex(self.cbModel.findText(fp.current_model))
2249        if fp.current_factor:
2250            self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(fp.current_factor))
2251
2252        self.chi2 = fp.chi2
2253
2254        # Options tab
2255        self.q_range_min = fp.fit_options[fp.MIN_RANGE]
2256        self.q_range_max = fp.fit_options[fp.MAX_RANGE]
2257        self.npts = fp.fit_options[fp.NPTS]
2258        self.log_points = fp.fit_options[fp.LOG_POINTS]
2259        self.weighting = fp.fit_options[fp.WEIGHTING]
2260
2261        # Models
[d60da0c]2262        self._model_model = fp.model_model
2263        self._poly_model = fp.poly_model
2264        self._magnet_model = fp.magnetism_model
[672b8ab]2265
2266        # Resolution tab
2267        smearing = fp.smearing_options[fp.SMEARING_OPTION]
2268        accuracy = fp.smearing_options[fp.SMEARING_ACCURACY]
2269        smearing_min = fp.smearing_options[fp.SMEARING_MIN]
2270        smearing_max = fp.smearing_options[fp.SMEARING_MAX]
2271        self.smearing_widget.setState(smearing, accuracy, smearing_min, smearing_max)
2272
2273        # TODO: add polidyspersity and magnetism
2274
2275    def saveToFitPage(self, fp):
2276        """
2277        Write current state to the given fitpage
2278        """
2279        assert isinstance(fp, FitPage)
2280
2281        # Main tab info
2282        fp.filename = self.logic.data.filename
2283        fp.data_is_loaded = self.data_is_loaded
2284        fp.is_polydisperse = self.chkPolydispersity.isChecked()
2285        fp.is_magnetic = self.chkMagnetism.isChecked()
2286        fp.is2D = self.chk2DView.isChecked()
2287        fp.data = self.data
2288
2289        # Use current models - they contain all the required parameters
2290        fp.model_model = self._model_model
2291        fp.poly_model = self._poly_model
2292        fp.magnetism_model = self._magnet_model
2293
2294        if self.cbCategory.currentIndex() != 0:
2295            fp.current_category = str(self.cbCategory.currentText())
2296            fp.current_model = str(self.cbModel.currentText())
2297
2298        if self.cbStructureFactor.isEnabled() and self.cbStructureFactor.currentIndex() != 0:
2299            fp.current_factor = str(self.cbStructureFactor.currentText())
2300        else:
2301            fp.current_factor = ''
2302
2303        fp.chi2 = self.chi2
2304        fp.parameters_to_fit = self.parameters_to_fit
[6964d44]2305        fp.kernel_module = self.kernel_module
[672b8ab]2306
[6ff2eb3]2307        # Algorithm options
2308        # fp.algorithm = self.parent.fit_options.selected_id
2309
[672b8ab]2310        # Options tab
2311        fp.fit_options[fp.MIN_RANGE] = self.q_range_min
2312        fp.fit_options[fp.MAX_RANGE] = self.q_range_max
2313        fp.fit_options[fp.NPTS] = self.npts
2314        #fp.fit_options[fp.NPTS_FIT] = self.npts_fit
2315        fp.fit_options[fp.LOG_POINTS] = self.log_points
2316        fp.fit_options[fp.WEIGHTING] = self.weighting
2317
2318        # Resolution tab
2319        smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state()
2320        fp.smearing_options[fp.SMEARING_OPTION] = smearing
2321        fp.smearing_options[fp.SMEARING_ACCURACY] = accuracy
2322        fp.smearing_options[fp.SMEARING_MIN] = smearing_min
2323        fp.smearing_options[fp.SMEARING_MAX] = smearing_max
2324
2325        # TODO: add polidyspersity and magnetism
2326
[00b3b40]2327
2328    def updateUndo(self):
2329        """
2330        Create a new state page and add it to the stack
2331        """
2332        if self.undo_supported:
2333            self.pushFitPage(self.currentState())
2334
[672b8ab]2335    def currentState(self):
2336        """
2337        Return fit page with current state
2338        """
2339        new_page = FitPage()
2340        self.saveToFitPage(new_page)
2341
2342        return new_page
2343
2344    def pushFitPage(self, new_page):
2345        """
2346        Add a new fit page object with current state
2347        """
[6011788]2348        self.page_stack.append(new_page)
[672b8ab]2349
2350    def popFitPage(self):
2351        """
2352        Remove top fit page from stack
2353        """
[6011788]2354        if self.page_stack:
2355            self.page_stack.pop()
[672b8ab]2356
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