source: sasview/src/sas/qtgui/Perspectives/Fitting/FittingWidget.py @ 87dfca4

ESS_GUIESS_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 87dfca4 was 87dfca4, checked in by Piotr Rozyczko <rozyczko@…>, 6 years ago

Fixed a bug where weighting options would not correctly update on data load

  • Property mode set to 100644
File size: 104.0 KB
RevLine 
[60af928]1import json
[cd31251]2import os
[57be490]3import copy
[60af928]4from collections import defaultdict
[b3e8629]5
[d4dac80]6import copy
[5236449]7import logging
8import traceback
[cbcdd2c]9from twisted.internet import threads
[1bc27f1]10import numpy as np
[e90988c]11import webbrowser
[5236449]12
[4992ff2]13from PyQt5 import QtCore
14from PyQt5 import QtGui
15from PyQt5 import QtWidgets
[60af928]16
[5d1440e1]17from sasmodels import product
[60af928]18from sasmodels import generate
19from sasmodels import modelinfo
[5236449]20from sasmodels.sasview_model import load_standard_models
[358b39d]21from sasmodels.weights import MODELS as POLYDISPERSITY_MODELS
22
[f182f93]23from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit
[57be490]24from sas.sascalc.fit.pagestate import PageState
[5236449]25
[83eb5208]26import sas.qtgui.Utilities.GuiUtils as GuiUtils
[14ec91c5]27import sas.qtgui.Utilities.LocalConfig as LocalConfig
[dc5ef15]28from sas.qtgui.Utilities.CategoryInstaller import CategoryInstaller
29from sas.qtgui.Plotting.PlotterData import Data1D
30from sas.qtgui.Plotting.PlotterData import Data2D
[5236449]31
[1bc27f1]32from sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI import Ui_FittingWidgetUI
[dc5ef15]33from sas.qtgui.Perspectives.Fitting.FitThread import FitThread
[7adc2a8]34from sas.qtgui.Perspectives.Fitting.ConsoleUpdate import ConsoleUpdate
35
[dc5ef15]36from sas.qtgui.Perspectives.Fitting.ModelThread import Calc1D
37from sas.qtgui.Perspectives.Fitting.ModelThread import Calc2D
[4d457df]38from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic
39from sas.qtgui.Perspectives.Fitting import FittingUtilities
[3b3b40b]40from sas.qtgui.Perspectives.Fitting import ModelUtilities
[1bc27f1]41from sas.qtgui.Perspectives.Fitting.SmearingWidget import SmearingWidget
42from sas.qtgui.Perspectives.Fitting.OptionsWidget import OptionsWidget
43from sas.qtgui.Perspectives.Fitting.FitPage import FitPage
[ad6b4e2]44from sas.qtgui.Perspectives.Fitting.ViewDelegate import ModelViewDelegate
[6011788]45from sas.qtgui.Perspectives.Fitting.ViewDelegate import PolyViewDelegate
[b00414d]46from sas.qtgui.Perspectives.Fitting.ViewDelegate import MagnetismViewDelegate
[14ec91c5]47from sas.qtgui.Perspectives.Fitting.Constraint import Constraint
[eae226b]48from sas.qtgui.Perspectives.Fitting.MultiConstraint import MultiConstraint
[57be490]49from sas.qtgui.Perspectives.Fitting.ReportPageLogic import ReportPageLogic
50
[60af928]51
[8222f171]52
[60af928]53TAB_MAGNETISM = 4
54TAB_POLY = 3
[cbcdd2c]55CATEGORY_DEFAULT = "Choose category..."
[4d457df]56CATEGORY_STRUCTURE = "Structure Factor"
[3b3b40b]57CATEGORY_CUSTOM = "Plugin Models"
[351b53e]58STRUCTURE_DEFAULT = "None"
[60af928]59
[358b39d]60DEFAULT_POLYDISP_FUNCTION = 'gaussian'
61
[7adc2a8]62
[13cd397]63class ToolTippedItemModel(QtGui.QStandardItemModel):
[f54ce30]64    """
65    Subclass from QStandardItemModel to allow displaying tooltips in
66    QTableView model.
67    """
[d0dfcb2]68    def __init__(self, parent=None):
[13cd397]69        QtGui.QStandardItemModel.__init__(self,parent)
70
[fbfc488]71    def headerData(self, section, orientation, role=QtCore.Qt.DisplayRole):
[f54ce30]72        """
73        Displays tooltip for each column's header
74        :param section:
75        :param orientation:
76        :param role:
77        :return:
78        """
[13cd397]79        if role == QtCore.Qt.ToolTipRole:
80            if orientation == QtCore.Qt.Horizontal:
[b3e8629]81                return str(self.header_tooltips[section])
[ca7c6bd]82
[a95c44b]83        return QtGui.QStandardItemModel.headerData(self, section, orientation, role)
[13cd397]84
[4992ff2]85class FittingWidget(QtWidgets.QWidget, Ui_FittingWidgetUI):
[60af928]86    """
[f46f6dc]87    Main widget for selecting form and structure factor models
[60af928]88    """
[be8f4b0]89    constraintAddedSignal = QtCore.pyqtSignal(list)
90    newModelSignal = QtCore.pyqtSignal()
[3b3b40b]91    fittingFinishedSignal = QtCore.pyqtSignal(tuple)
92    batchFittingFinishedSignal = QtCore.pyqtSignal(tuple)
[d4dac80]93    Calc1DFinishedSignal = QtCore.pyqtSignal(tuple)
94    Calc2DFinishedSignal = QtCore.pyqtSignal(tuple)
[3b3b40b]95
[1bc27f1]96    def __init__(self, parent=None, data=None, tab_id=1):
[60af928]97
98        super(FittingWidget, self).__init__()
99
[86f88d1]100        # Necessary globals
[cbcdd2c]101        self.parent = parent
[2a432e7]102
103        # Which tab is this widget displayed in?
104        self.tab_id = tab_id
105
106        # Globals
107        self.initializeGlobals()
108
[c3eb858]109        # Set up desired logging level
110        logging.disable(LocalConfig.DISABLE_LOGGING)
111
[d4dac80]112        # data index for the batch set
113        self.data_index = 0
114        # Main Data[12]D holders
115        # Logics.data contains a single Data1D/Data2D object
116        self._logic = [FittingLogic()]
117
[2a432e7]118        # Main GUI setup up
119        self.setupUi(self)
120        self.setWindowTitle("Fitting")
121
122        # Set up tabs widgets
123        self.initializeWidgets()
124
125        # Set up models and views
126        self.initializeModels()
127
128        # Defaults for the structure factors
129        self.setDefaultStructureCombo()
130
131        # Make structure factor and model CBs disabled
132        self.disableModelCombo()
133        self.disableStructureCombo()
134
135        # Generate the category list for display
136        self.initializeCategoryCombo()
137
138        # Connect signals to controls
139        self.initializeSignals()
140
141        # Initial control state
142        self.initializeControls()
143
[d4dac80]144        if data is not None:
145            self.data = data
[2a432e7]146
[457d961]147        # New font to display angstrom symbol
148        new_font = 'font-family: -apple-system, "Helvetica Neue", "Ubuntu";'
149        self.label_17.setStyleSheet(new_font)
150        self.label_19.setStyleSheet(new_font)
151
[d4dac80]152    @property
153    def logic(self):
154        # make sure the logic contains at least one element
155        assert(self._logic)
156        # logic connected to the currently shown data
157        return self._logic[self.data_index]
[2a432e7]158
159    @property
160    def data(self):
161        return self.logic.data
162
163    @data.setter
164    def data(self, value):
165        """ data setter """
[f7d14a1]166        # Value is either a list of indices for batch fitting or a simple index
167        # for standard fitting. Assure we have a list, regardless.
[ee18d33]168        if isinstance(value, list):
169            self.is_batch_fitting = True
170        else:
171            value = [value]
172
173        assert isinstance(value[0], QtGui.QStandardItem)
174
175        # Keep reference to all datasets for batch
176        self.all_data = value
[2a432e7]177
[d4dac80]178        # Create logics with data items
[f7d14a1]179        # Logics.data contains only a single Data1D/Data2D object
[87dfca4]180        if len(value) == 1:
181            # single data logic is already defined, update data on it
182            self._logic[0].data = GuiUtils.dataFromItem(value[0])
183        else:
184            # batch datasets
185            for data_item in value:
186                logic = FittingLogic(data=GuiUtils.dataFromItem(data_item))
187                self._logic.append(logic)
[2a432e7]188
189        # Overwrite data type descriptor
190        self.is2D = True if isinstance(self.logic.data, Data2D) else False
191
[f7d14a1]192        # Let others know we're full of data now
[2a432e7]193        self.data_is_loaded = True
194
195        # Enable/disable UI components
196        self.setEnablementOnDataLoad()
197
198    def initializeGlobals(self):
199        """
200        Initialize global variables used in this class
201        """
[cbcdd2c]202        # SasModel is loaded
[60af928]203        self.model_is_loaded = False
[cbcdd2c]204        # Data[12]D passed and set
[5236449]205        self.data_is_loaded = False
[ee18d33]206        # Batch/single fitting
207        self.is_batch_fitting = False
[7fd20fc]208        self.is_chain_fitting = False
[ded5e77]209        # Is the fit job running?
210        self.fit_started=False
211        # The current fit thread
212        self.calc_fit = None
[cbcdd2c]213        # Current SasModel in view
[5236449]214        self.kernel_module = None
[cbcdd2c]215        # Current SasModel view dimension
[60af928]216        self.is2D = False
[cbcdd2c]217        # Current SasModel is multishell
[86f88d1]218        self.model_has_shells = False
[cbcdd2c]219        # Utility variable to enable unselectable option in category combobox
[86f88d1]220        self._previous_category_index = 0
[cbcdd2c]221        # Utility variable for multishell display
[86f88d1]222        self._last_model_row = 0
[cbcdd2c]223        # Dictionary of {model name: model class} for the current category
[5236449]224        self.models = {}
[f182f93]225        # Parameters to fit
226        self.parameters_to_fit = None
[180bd54]227        # Fit options
228        self.q_range_min = 0.005
229        self.q_range_max = 0.1
230        self.npts = 25
231        self.log_points = False
232        self.weighting = 0
[2add354]233        self.chi2 = None
[6011788]234        # Does the control support UNDO/REDO
235        # temporarily off
[2241130]236        self.undo_supported = False
237        self.page_stack = []
[377ade1]238        self.all_data = []
[3b3b40b]239        # custom plugin models
240        # {model.name:model}
241        self.custom_models = self.customModels()
[8222f171]242        # Polydisp widget table default index for function combobox
243        self.orig_poly_index = 3
[d4dac80]244        # copy of current kernel model
245        self.kernel_module_copy = None
[6011788]246
[116dd4c1]247        # Page id for fitting
248        # To keep with previous SasView values, use 200 as the start offset
249        self.page_id = 200 + self.tab_id
250
[d48cc19]251        # Data for chosen model
252        self.model_data = None
253
[a9b568c]254        # Which shell is being currently displayed?
255        self.current_shell_displayed = 0
[0d13814]256        # List of all shell-unique parameters
257        self.shell_names = []
[b00414d]258
259        # Error column presence in parameter display
[f182f93]260        self.has_error_column = False
[aca8418]261        self.has_poly_error_column = False
[b00414d]262        self.has_magnet_error_column = False
[a9b568c]263
[2a432e7]264        # signal communicator
[cbcdd2c]265        self.communicate = self.parent.communicate
[60af928]266
[2a432e7]267    def initializeWidgets(self):
268        """
269        Initialize widgets for tabs
270        """
[180bd54]271        # Options widget
[4992ff2]272        layout = QtWidgets.QGridLayout()
[180bd54]273        self.options_widget = OptionsWidget(self, self.logic)
[1bc27f1]274        layout.addWidget(self.options_widget)
[180bd54]275        self.tabOptions.setLayout(layout)
276
[e1e3e09]277        # Smearing widget
[4992ff2]278        layout = QtWidgets.QGridLayout()
[e1e3e09]279        self.smearing_widget = SmearingWidget(self)
[1bc27f1]280        layout.addWidget(self.smearing_widget)
[180bd54]281        self.tabResolution.setLayout(layout)
[e1e3e09]282
[b1e36a3]283        # Define bold font for use in various controls
[1bc27f1]284        self.boldFont = QtGui.QFont()
[a0f5c36]285        self.boldFont.setBold(True)
286
287        # Set data label
[b1e36a3]288        self.label.setFont(self.boldFont)
289        self.label.setText("No data loaded")
290        self.lblFilename.setText("")
291
[6ff2eb3]292        # Magnetic angles explained in one picture
[4992ff2]293        self.magneticAnglesWidget = QtWidgets.QWidget()
294        labl = QtWidgets.QLabel(self.magneticAnglesWidget)
[6ff2eb3]295        pixmap = QtGui.QPixmap(GuiUtils.IMAGES_DIRECTORY_LOCATION + '/M_angles_pic.bmp')
296        labl.setPixmap(pixmap)
297        self.magneticAnglesWidget.setFixedSize(pixmap.width(), pixmap.height())
298
[2a432e7]299    def initializeModels(self):
300        """
301        Set up models and views
302        """
[86f88d1]303        # Set the main models
[cd31251]304        # We can't use a single model here, due to restrictions on flattening
305        # the model tree with subclassed QAbstractProxyModel...
[13cd397]306        self._model_model = ToolTippedItemModel()
307        self._poly_model = ToolTippedItemModel()
308        self._magnet_model = ToolTippedItemModel()
[60af928]309
310        # Param model displayed in param list
311        self.lstParams.setModel(self._model_model)
[5236449]312        self.readCategoryInfo()
[4992ff2]313
[60af928]314        self.model_parameters = None
[ad6b4e2]315
316        # Delegates for custom editing and display
317        self.lstParams.setItemDelegate(ModelViewDelegate(self))
318
[86f88d1]319        self.lstParams.setAlternatingRowColors(True)
[61a92d4]320        stylesheet = """
[457d961]321
322            QTreeView {
323                paint-alternating-row-colors-for-empty-area:0;
324            }
325
[2a432e7]326            QTreeView::item:hover {
327                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #e7effd, stop: 1 #cbdaf1);
328                border: 1px solid #bfcde4;
[61a92d4]329            }
[2a432e7]330
331            QTreeView::item:selected {
332                border: 1px solid #567dbc;
333            }
334
335            QTreeView::item:selected:active{
336                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6ea1f1, stop: 1 #567dbc);
337            }
338
339            QTreeView::item:selected:!active {
340                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6b9be8, stop: 1 #577fbf);
341            }
342           """
[61a92d4]343        self.lstParams.setStyleSheet(stylesheet)
[672b8ab]344        self.lstParams.setContextMenuPolicy(QtCore.Qt.CustomContextMenu)
[7fd20fc]345        self.lstParams.customContextMenuRequested.connect(self.showModelContextMenu)
[457d961]346        self.lstParams.setAttribute(QtCore.Qt.WA_MacShowFocusRect, False)
[60af928]347        # Poly model displayed in poly list
[811bec1]348        self.lstPoly.setModel(self._poly_model)
[60af928]349        self.setPolyModel()
350        self.setTableProperties(self.lstPoly)
[6011788]351        # Delegates for custom editing and display
[aca8418]352        self.lstPoly.setItemDelegate(PolyViewDelegate(self))
353        # Polydispersity function combo response
354        self.lstPoly.itemDelegate().combo_updated.connect(self.onPolyComboIndexChange)
[e43fc91]355        self.lstPoly.itemDelegate().filename_updated.connect(self.onPolyFilenameChange)
[60af928]356
357        # Magnetism model displayed in magnetism list
358        self.lstMagnetic.setModel(self._magnet_model)
359        self.setMagneticModel()
360        self.setTableProperties(self.lstMagnetic)
[b00414d]361        # Delegates for custom editing and display
362        self.lstMagnetic.setItemDelegate(MagnetismViewDelegate(self))
[60af928]363
[2a432e7]364    def initializeCategoryCombo(self):
365        """
366        Model category combo setup
367        """
[60af928]368        category_list = sorted(self.master_category_dict.keys())
[86f88d1]369        self.cbCategory.addItem(CATEGORY_DEFAULT)
[60af928]370        self.cbCategory.addItems(category_list)
[4d457df]371        self.cbCategory.addItem(CATEGORY_STRUCTURE)
[6f7f652]372        self.cbCategory.setCurrentIndex(0)
[60af928]373
[e1e3e09]374    def setEnablementOnDataLoad(self):
375        """
376        Enable/disable various UI elements based on data loaded
377        """
[cbcdd2c]378        # Tag along functionality
[b1e36a3]379        self.label.setText("Data loaded from: ")
[a0f5c36]380        self.lblFilename.setText(self.logic.data.filename)
[5236449]381        self.updateQRange()
[e1e3e09]382        # Switch off Data2D control
383        self.chk2DView.setEnabled(False)
384        self.chk2DView.setVisible(False)
[6ff2eb3]385        self.chkMagnetism.setEnabled(self.is2D)
[4fdb727]386        self.tabFitting.setTabEnabled(TAB_MAGNETISM, self.is2D)
[ee18d33]387        # Combo box or label for file name"
388        if self.is_batch_fitting:
389            self.lblFilename.setVisible(False)
390            for dataitem in self.all_data:
391                filename = GuiUtils.dataFromItem(dataitem).filename
392                self.cbFileNames.addItem(filename)
393            self.cbFileNames.setVisible(True)
[7fd20fc]394            self.chkChainFit.setEnabled(True)
395            self.chkChainFit.setVisible(True)
[38eb433]396            # This panel is not designed to view individual fits, so disable plotting
397            self.cmdPlot.setVisible(False)
[180bd54]398        # Similarly on other tabs
399        self.options_widget.setEnablementOnDataLoad()
[f7d14a1]400        self.onSelectModel()
[e1e3e09]401        # Smearing tab
402        self.smearing_widget.updateSmearing(self.data)
[60af928]403
[f46f6dc]404    def acceptsData(self):
405        """ Tells the caller this widget can accept new dataset """
[5236449]406        return not self.data_is_loaded
[f46f6dc]407
[6f7f652]408    def disableModelCombo(self):
[cbcdd2c]409        """ Disable the combobox """
[6f7f652]410        self.cbModel.setEnabled(False)
[b1e36a3]411        self.lblModel.setEnabled(False)
[6f7f652]412
413    def enableModelCombo(self):
[cbcdd2c]414        """ Enable the combobox """
[6f7f652]415        self.cbModel.setEnabled(True)
[b1e36a3]416        self.lblModel.setEnabled(True)
[6f7f652]417
418    def disableStructureCombo(self):
[cbcdd2c]419        """ Disable the combobox """
[6f7f652]420        self.cbStructureFactor.setEnabled(False)
[b1e36a3]421        self.lblStructure.setEnabled(False)
[6f7f652]422
423    def enableStructureCombo(self):
[cbcdd2c]424        """ Enable the combobox """
[6f7f652]425        self.cbStructureFactor.setEnabled(True)
[b1e36a3]426        self.lblStructure.setEnabled(True)
[6f7f652]427
[0268aed]428    def togglePoly(self, isChecked):
[454670d]429        """ Enable/disable the polydispersity tab """
[0268aed]430        self.tabFitting.setTabEnabled(TAB_POLY, isChecked)
431
432    def toggleMagnetism(self, isChecked):
[454670d]433        """ Enable/disable the magnetism tab """
[0268aed]434        self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked)
435
[7fd20fc]436    def toggleChainFit(self, isChecked):
437        """ Enable/disable chain fitting """
438        self.is_chain_fitting = isChecked
439
[0268aed]440    def toggle2D(self, isChecked):
[454670d]441        """ Enable/disable the controls dependent on 1D/2D data instance """
[0268aed]442        self.chkMagnetism.setEnabled(isChecked)
443        self.is2D = isChecked
[1970780]444        # Reload the current model
[e1e3e09]445        if self.kernel_module:
446            self.onSelectModel()
[5236449]447
[8b480d27]448    @classmethod
449    def customModels(cls):
[3b3b40b]450        """ Reads in file names in the custom plugin directory """
451        return ModelUtilities._find_models()
452
[86f88d1]453    def initializeControls(self):
454        """
455        Set initial control enablement
456        """
[ee18d33]457        self.cbFileNames.setVisible(False)
[86f88d1]458        self.cmdFit.setEnabled(False)
[d48cc19]459        self.cmdPlot.setEnabled(False)
[180bd54]460        self.options_widget.cmdComputePoints.setVisible(False) # probably redundant
[86f88d1]461        self.chkPolydispersity.setEnabled(True)
462        self.chkPolydispersity.setCheckState(False)
463        self.chk2DView.setEnabled(True)
464        self.chk2DView.setCheckState(False)
465        self.chkMagnetism.setEnabled(False)
466        self.chkMagnetism.setCheckState(False)
[7fd20fc]467        self.chkChainFit.setEnabled(False)
468        self.chkChainFit.setVisible(False)
[cbcdd2c]469        # Tabs
[86f88d1]470        self.tabFitting.setTabEnabled(TAB_POLY, False)
471        self.tabFitting.setTabEnabled(TAB_MAGNETISM, False)
472        self.lblChi2Value.setText("---")
[e1e3e09]473        # Smearing tab
474        self.smearing_widget.updateSmearing(self.data)
[180bd54]475        # Line edits in the option tab
476        self.updateQRange()
[86f88d1]477
478    def initializeSignals(self):
479        """
480        Connect GUI element signals
481        """
[cbcdd2c]482        # Comboboxes
[cd31251]483        self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor)
484        self.cbCategory.currentIndexChanged.connect(self.onSelectCategory)
485        self.cbModel.currentIndexChanged.connect(self.onSelectModel)
[ee18d33]486        self.cbFileNames.currentIndexChanged.connect(self.onSelectBatchFilename)
[cbcdd2c]487        # Checkboxes
[86f88d1]488        self.chk2DView.toggled.connect(self.toggle2D)
489        self.chkPolydispersity.toggled.connect(self.togglePoly)
490        self.chkMagnetism.toggled.connect(self.toggleMagnetism)
[7fd20fc]491        self.chkChainFit.toggled.connect(self.toggleChainFit)
[cbcdd2c]492        # Buttons
[5236449]493        self.cmdFit.clicked.connect(self.onFit)
[cbcdd2c]494        self.cmdPlot.clicked.connect(self.onPlot)
[2add354]495        self.cmdHelp.clicked.connect(self.onHelp)
[6ff2eb3]496        self.cmdMagneticDisplay.clicked.connect(self.onDisplayMagneticAngles)
[cbcdd2c]497
498        # Respond to change in parameters from the UI
[b00414d]499        self._model_model.itemChanged.connect(self.onMainParamsChange)
[eae226b]500        #self.constraintAddedSignal.connect(self.modifyViewOnConstraint)
[cd31251]501        self._poly_model.itemChanged.connect(self.onPolyModelChange)
[b00414d]502        self._magnet_model.itemChanged.connect(self.onMagnetModelChange)
[3b3b40b]503        self.lstParams.selectionModel().selectionChanged.connect(self.onSelectionChanged)
504
505        # Local signals
506        self.batchFittingFinishedSignal.connect(self.batchFitComplete)
507        self.fittingFinishedSignal.connect(self.fitComplete)
[d4dac80]508        self.Calc1DFinishedSignal.connect(self.complete1D)
509        self.Calc2DFinishedSignal.connect(self.complete2D)
[86f88d1]510
[180bd54]511        # Signals from separate tabs asking for replot
512        self.options_widget.plot_signal.connect(self.onOptionsUpdate)
513
[3b3b40b]514        # Signals from other widgets
515        self.communicate.customModelDirectoryChanged.connect(self.onCustomModelChange)
[57be490]516        self.communicate.saveAnalysisSignal.connect(self.savePageState)
517        #self.communicate.saveReportSignal.connect(self.saveReport)
[3b3b40b]518
[d3c0b95]519    def modelName(self):
520        """
521        Returns model name, by default M<tab#>, e.g. M1, M2
522        """
523        return "M%i" % self.tab_id
524
525    def nameForFittedData(self, name):
526        """
527        Generate name for the current fit
528        """
529        if self.is2D:
530            name += "2d"
531        name = "%s [%s]" % (self.modelName(), name)
532        return name
[7fd20fc]533
[d3c0b95]534    def showModelContextMenu(self, position):
535        """
536        Show context specific menu in the parameter table.
537        When clicked on parameter(s): fitting/constraints options
538        When clicked on white space: model description
539        """
[eae226b]540        rows = [s.row() for s in self.lstParams.selectionModel().selectedRows()]
[7fd20fc]541        menu = self.showModelDescription() if not rows else self.modelContextMenu(rows)
542        try:
543            menu.exec_(self.lstParams.viewport().mapToGlobal(position))
544        except AttributeError as ex:
545            logging.error("Error generating context menu: %s" % ex)
546        return
547
548    def modelContextMenu(self, rows):
[eae226b]549        """
[d3c0b95]550        Create context menu for the parameter selection
[eae226b]551        """
[7fd20fc]552        menu = QtWidgets.QMenu()
[eae226b]553        num_rows = len(rows)
[63319b0]554        if num_rows < 1:
555            return menu
[7fd20fc]556        # Select for fitting
[eae226b]557        param_string = "parameter " if num_rows==1 else "parameters "
558        to_string = "to its current value" if num_rows==1 else "to their current values"
[d3c0b95]559        has_constraints = any([self.rowHasConstraint(i) for i in rows])
[eae226b]560
[7fd20fc]561        self.actionSelect = QtWidgets.QAction(self)
562        self.actionSelect.setObjectName("actionSelect")
[eae226b]563        self.actionSelect.setText(QtCore.QCoreApplication.translate("self", "Select "+param_string+" for fitting"))
[7fd20fc]564        # Unselect from fitting
565        self.actionDeselect = QtWidgets.QAction(self)
566        self.actionDeselect.setObjectName("actionDeselect")
[eae226b]567        self.actionDeselect.setText(QtCore.QCoreApplication.translate("self", "De-select "+param_string+" from fitting"))
[7fd20fc]568
569        self.actionConstrain = QtWidgets.QAction(self)
570        self.actionConstrain.setObjectName("actionConstrain")
[eae226b]571        self.actionConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain "+param_string + to_string))
572
573        self.actionRemoveConstraint = QtWidgets.QAction(self)
574        self.actionRemoveConstraint.setObjectName("actionRemoveConstrain")
575        self.actionRemoveConstraint.setText(QtCore.QCoreApplication.translate("self", "Remove constraint"))
[7fd20fc]576
577        self.actionMultiConstrain = QtWidgets.QAction(self)
578        self.actionMultiConstrain.setObjectName("actionMultiConstrain")
579        self.actionMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain selected parameters to their current values"))
580
581        self.actionMutualMultiConstrain = QtWidgets.QAction(self)
582        self.actionMutualMultiConstrain.setObjectName("actionMutualMultiConstrain")
583        self.actionMutualMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Mutual constrain of selected parameters..."))
584
585        menu.addAction(self.actionSelect)
586        menu.addAction(self.actionDeselect)
587        menu.addSeparator()
588
[d3c0b95]589        if has_constraints:
[eae226b]590            menu.addAction(self.actionRemoveConstraint)
[d3c0b95]591            #if num_rows == 1:
592            #    menu.addAction(self.actionEditConstraint)
[eae226b]593        else:
[7fd20fc]594            menu.addAction(self.actionConstrain)
[d3c0b95]595            if num_rows == 2:
596                menu.addAction(self.actionMutualMultiConstrain)
[7fd20fc]597
598        # Define the callbacks
[0595bb7]599        self.actionConstrain.triggered.connect(self.addSimpleConstraint)
[eae226b]600        self.actionRemoveConstraint.triggered.connect(self.deleteConstraint)
[0595bb7]601        self.actionMutualMultiConstrain.triggered.connect(self.showMultiConstraint)
[7fd20fc]602        self.actionSelect.triggered.connect(self.selectParameters)
603        self.actionDeselect.triggered.connect(self.deselectParameters)
604        return menu
605
[0595bb7]606    def showMultiConstraint(self):
[7fd20fc]607        """
608        Show the constraint widget and receive the expression
609        """
[0595bb7]610        selected_rows = self.lstParams.selectionModel().selectedRows()
[6e58f2f]611        # There have to be only two rows selected. The caller takes care of that
612        # but let's check the correctness.
[676f137]613        assert(len(selected_rows)==2)
[0595bb7]614
615        params_list = [s.data() for s in selected_rows]
[eae226b]616        # Create and display the widget for param1 and param2
[7fd20fc]617        mc_widget = MultiConstraint(self, params=params_list)
[eae226b]618        if mc_widget.exec_() != QtWidgets.QDialog.Accepted:
619            return
620
[0595bb7]621        constraint = Constraint()
622        c_text = mc_widget.txtConstraint.text()
623
[eae226b]624        # widget.params[0] is the parameter we're constraining
625        constraint.param = mc_widget.params[0]
[3b3b40b]626        # parameter should have the model name preamble
[06234fc]627        model_name = self.kernel_module.name
[3b3b40b]628        # param_used is the parameter we're using in constraining function
629        param_used = mc_widget.params[1]
630        # Replace param_used with model_name.param_used
631        updated_param_used = model_name + "." + param_used
632        new_func = c_text.replace(param_used, updated_param_used)
633        constraint.func = new_func
[d3c0b95]634        # Which row is the constrained parameter in?
[2d466e4]635        row = self.getRowFromName(constraint.param)
[eae226b]636
[6e58f2f]637        # Create a new item and add the Constraint object as a child
638        self.addConstraintToRow(constraint=constraint, row=row)
[eae226b]639
[2d466e4]640    def getRowFromName(self, name):
[eae226b]641        """
[d3c0b95]642        Given parameter name get the row number in self._model_model
[eae226b]643        """
644        for row in range(self._model_model.rowCount()):
645            row_name = self._model_model.item(row).text()
646            if row_name == name:
647                return row
648        return None
649
[2d466e4]650    def getParamNames(self):
651        """
652        Return list of all parameters for the current model
653        """
654        return [self._model_model.item(row).text() for row in range(self._model_model.rowCount())]
655
[eae226b]656    def modifyViewOnRow(self, row, font=None, brush=None):
657        """
658        Chage how the given row of the main model is shown
659        """
660        fields_enabled = False
661        if font is None:
662            font = QtGui.QFont()
663            fields_enabled = True
664        if brush is None:
665            brush = QtGui.QBrush()
666            fields_enabled = True
[0595bb7]667        self._model_model.blockSignals(True)
668        # Modify font and foreground of affected rows
669        for column in range(0, self._model_model.columnCount()):
670            self._model_model.item(row, column).setForeground(brush)
671            self._model_model.item(row, column).setFont(font)
[eae226b]672            self._model_model.item(row, column).setEditable(fields_enabled)
[0595bb7]673        self._model_model.blockSignals(False)
674
[c5a2722f]675    def addConstraintToRow(self, constraint=None, row=0):
676        """
677        Adds the constraint object to requested row
678        """
679        # Create a new item and add the Constraint object as a child
680        assert(isinstance(constraint, Constraint))
681        assert(0<=row<=self._model_model.rowCount())
682
683        item = QtGui.QStandardItem()
684        item.setData(constraint)
685        self._model_model.item(row, 1).setChild(0, item)
686        # Set min/max to the value constrained
687        self.constraintAddedSignal.emit([row])
688        # Show visual hints for the constraint
689        font = QtGui.QFont()
690        font.setItalic(True)
691        brush = QtGui.QBrush(QtGui.QColor('blue'))
692        self.modifyViewOnRow(row, font=font, brush=brush)
693        self.communicate.statusBarUpdateSignal.emit('Constraint added')
694
[0595bb7]695    def addSimpleConstraint(self):
[7fd20fc]696        """
697        Adds a constraint on a single parameter.
[2add354]698        """
[d3c0b95]699        min_col = self.lstParams.itemDelegate().param_min
700        max_col = self.lstParams.itemDelegate().param_max
[0595bb7]701        for row in self.selectedParameters():
702            param = self._model_model.item(row, 0).text()
703            value = self._model_model.item(row, 1).text()
[235d766]704            min_t = self._model_model.item(row, min_col).text()
705            max_t = self._model_model.item(row, max_col).text()
[eae226b]706            # Create a Constraint object
[235d766]707            constraint = Constraint(param=param, value=value, min=min_t, max=max_t)
[eae226b]708            # Create a new item and add the Constraint object as a child
[0595bb7]709            item = QtGui.QStandardItem()
710            item.setData(constraint)
711            self._model_model.item(row, 1).setChild(0, item)
[235d766]712            # Assumed correctness from the validator
713            value = float(value)
714            # BUMPS calculates log(max-min) without any checks, so let's assign minor range
715            min_v = value - (value/10000.0)
716            max_v = value + (value/10000.0)
[eae226b]717            # Set min/max to the value constrained
[235d766]718            self._model_model.item(row, min_col).setText(str(min_v))
719            self._model_model.item(row, max_col).setText(str(max_v))
[be8f4b0]720            self.constraintAddedSignal.emit([row])
[eae226b]721            # Show visual hints for the constraint
722            font = QtGui.QFont()
723            font.setItalic(True)
724            brush = QtGui.QBrush(QtGui.QColor('blue'))
725            self.modifyViewOnRow(row, font=font, brush=brush)
[7fd20fc]726        self.communicate.statusBarUpdateSignal.emit('Constraint added')
727
[eae226b]728    def deleteConstraint(self):
729        """
730        Delete constraints from selected parameters.
731        """
[3b3b40b]732        params =  [s.data() for s in self.lstParams.selectionModel().selectedRows()
733                   if self.isCheckable(s.row())]
734        for param in params:
735            self.deleteConstraintOnParameter(param=param)
[be8f4b0]736
737    def deleteConstraintOnParameter(self, param=None):
738        """
739        Delete the constraint on model parameter 'param'
740        """
[d3c0b95]741        min_col = self.lstParams.itemDelegate().param_min
742        max_col = self.lstParams.itemDelegate().param_max
[be8f4b0]743        for row in range(self._model_model.rowCount()):
[3b3b40b]744            if not self.rowHasConstraint(row):
745                continue
[eae226b]746            # Get the Constraint object from of the model item
747            item = self._model_model.item(row, 1)
[3b3b40b]748            constraint = self.getConstraintForRow(row)
[d3c0b95]749            if constraint is None:
750                continue
751            if not isinstance(constraint, Constraint):
752                continue
[be8f4b0]753            if param and constraint.param != param:
754                continue
755            # Now we got the right row. Delete the constraint and clean up
[eae226b]756            # Retrieve old values and put them on the model
757            if constraint.min is not None:
[d3c0b95]758                self._model_model.item(row, min_col).setText(constraint.min)
[eae226b]759            if constraint.max is not None:
[d3c0b95]760                self._model_model.item(row, max_col).setText(constraint.max)
[eae226b]761            # Remove constraint item
762            item.removeRow(0)
[be8f4b0]763            self.constraintAddedSignal.emit([row])
[eae226b]764            self.modifyViewOnRow(row)
[be8f4b0]765
[eae226b]766        self.communicate.statusBarUpdateSignal.emit('Constraint removed')
[be8f4b0]767
[d3c0b95]768    def getConstraintForRow(self, row):
769        """
770        For the given row, return its constraint, if any
771        """
772        try:
773            item = self._model_model.item(row, 1)
774            return item.child(0).data()
775        except AttributeError:
776            # return none when no constraints
777            return None
778
[eae226b]779    def rowHasConstraint(self, row):
780        """
781        Finds out if row of the main model has a constraint child
782        """
783        item = self._model_model.item(row,1)
[be8f4b0]784        if item.hasChildren():
785            c = item.child(0).data()
[235d766]786            if isinstance(c, Constraint):
[be8f4b0]787                return True
788        return False
[116dd4c1]789
790    def rowHasActiveConstraint(self, row):
791        """
792        Finds out if row of the main model has an active constraint child
793        """
794        item = self._model_model.item(row,1)
795        if item.hasChildren():
796            c = item.child(0).data()
[235d766]797            if isinstance(c, Constraint) and c.active:
798                return True
799        return False
800
801    def rowHasActiveComplexConstraint(self, row):
802        """
803        Finds out if row of the main model has an active, nontrivial constraint child
804        """
805        item = self._model_model.item(row,1)
806        if item.hasChildren():
807            c = item.child(0).data()
[116dd4c1]808            if isinstance(c, Constraint) and c.func and c.active:
809                return True
810        return False
[eae226b]811
[7fd20fc]812    def selectParameters(self):
813        """
[d3c0b95]814        Selected parameter is chosen for fitting
[7fd20fc]815        """
816        status = QtCore.Qt.Checked
817        self.setParameterSelection(status)
818
819    def deselectParameters(self):
820        """
821        Selected parameters are removed for fitting
822        """
823        status = QtCore.Qt.Unchecked
824        self.setParameterSelection(status)
825
826    def selectedParameters(self):
827        """ Returns list of selected (highlighted) parameters """
[d3c0b95]828        return [s.row() for s in self.lstParams.selectionModel().selectedRows()
829                if self.isCheckable(s.row())]
[7fd20fc]830
831    def setParameterSelection(self, status=QtCore.Qt.Unchecked):
832        """
833        Selected parameters are chosen for fitting
834        """
835        # Convert to proper indices and set requested enablement
836        for row in self.selectedParameters():
837            self._model_model.item(row, 0).setCheckState(status)
[d3c0b95]838
839    def getConstraintsForModel(self):
840        """
841        Return a list of tuples. Each tuple contains constraints mapped as
842        ('constrained parameter', 'function to constrain')
843        e.g. [('sld','5*sld_solvent')]
844        """
845        param_number = self._model_model.rowCount()
846        params = [(self._model_model.item(s, 0).text(),
[c5a2722f]847                    self._model_model.item(s, 1).child(0).data().func)
[116dd4c1]848                    for s in range(param_number) if self.rowHasActiveConstraint(s)]
[d3c0b95]849        return params
[7fd20fc]850
[235d766]851    def getComplexConstraintsForModel(self):
852        """
853        Return a list of tuples. Each tuple contains constraints mapped as
854        ('constrained parameter', 'function to constrain')
[06234fc]855        e.g. [('sld','5*M2.sld_solvent')].
[235d766]856        Only for constraints with defined VALUE
857        """
858        param_number = self._model_model.rowCount()
859        params = [(self._model_model.item(s, 0).text(),
860                    self._model_model.item(s, 1).child(0).data().func)
861                    for s in range(param_number) if self.rowHasActiveComplexConstraint(s)]
862        return params
863
[ba01ad1]864    def getConstraintObjectsForModel(self):
865        """
866        Returns Constraint objects present on the whole model
867        """
868        param_number = self._model_model.rowCount()
869        constraints = [self._model_model.item(s, 1).child(0).data()
870                       for s in range(param_number) if self.rowHasConstraint(s)]
871
872        return constraints
873
[3b3b40b]874    def getConstraintsForFitting(self):
875        """
876        Return a list of constraints in format ready for use in fiting
877        """
878        # Get constraints
879        constraints = self.getComplexConstraintsForModel()
880        # See if there are any constraints across models
881        multi_constraints = [cons for cons in constraints if self.isConstraintMultimodel(cons[1])]
882
883        if multi_constraints:
884            # Let users choose what to do
885            msg = "The current fit contains constraints relying on other fit pages.\n"
886            msg += "Parameters with those constraints are:\n" +\
887                '\n'.join([cons[0] for cons in multi_constraints])
888            msg += "\n\nWould you like to remove these constraints or cancel fitting?"
889            msgbox = QtWidgets.QMessageBox(self)
890            msgbox.setIcon(QtWidgets.QMessageBox.Warning)
891            msgbox.setText(msg)
892            msgbox.setWindowTitle("Existing Constraints")
893            # custom buttons
894            button_remove = QtWidgets.QPushButton("Remove")
895            msgbox.addButton(button_remove, QtWidgets.QMessageBox.YesRole)
896            button_cancel = QtWidgets.QPushButton("Cancel")
897            msgbox.addButton(button_cancel, QtWidgets.QMessageBox.RejectRole)
898            retval = msgbox.exec_()
899            if retval == QtWidgets.QMessageBox.RejectRole:
900                # cancel fit
901                raise ValueError("Fitting cancelled")
902            else:
903                # remove constraint
904                for cons in multi_constraints:
905                    self.deleteConstraintOnParameter(param=cons[0])
906                # re-read the constraints
907                constraints = self.getComplexConstraintsForModel()
908
909        return constraints
910
[7fd20fc]911    def showModelDescription(self):
912        """
913        Creates a window with model description, when right clicked in the treeview
[2add354]914        """
915        msg = 'Model description:\n'
916        if self.kernel_module is not None:
917            if str(self.kernel_module.description).rstrip().lstrip() == '':
918                msg += "Sorry, no information is available for this model."
919            else:
920                msg += self.kernel_module.description + '\n'
921        else:
922            msg += "You must select a model to get information on this"
923
[4992ff2]924        menu = QtWidgets.QMenu()
925        label = QtWidgets.QLabel(msg)
[d6b8a1d]926        action = QtWidgets.QWidgetAction(self)
[672b8ab]927        action.setDefaultWidget(label)
928        menu.addAction(action)
[7fd20fc]929        return menu
[2add354]930
[0268aed]931    def onSelectModel(self):
[cbcdd2c]932        """
[0268aed]933        Respond to select Model from list event
[cbcdd2c]934        """
[d6b8a1d]935        model = self.cbModel.currentText()
[0268aed]936
[b3e8629]937        # empty combobox forced to be read
938        if not model:
939            return
[0268aed]940        # Reset structure factor
941        self.cbStructureFactor.setCurrentIndex(0)
942
[f182f93]943        # Reset parameters to fit
944        self.parameters_to_fit = None
[d7ff531]945        self.has_error_column = False
[aca8418]946        self.has_poly_error_column = False
[f182f93]947
[fd1ae6d1]948        self.respondToModelStructure(model=model, structure_factor=None)
949
[ee18d33]950    def onSelectBatchFilename(self, data_index):
951        """
952        Update the logic based on the selected file in batch fitting
953        """
[d4dac80]954        self.data_index = data_index
[ee18d33]955        self.updateQRange()
956
[fd1ae6d1]957    def onSelectStructureFactor(self):
958        """
959        Select Structure Factor from list
960        """
961        model = str(self.cbModel.currentText())
962        category = str(self.cbCategory.currentText())
963        structure = str(self.cbStructureFactor.currentText())
964        if category == CATEGORY_STRUCTURE:
965            model = None
966        self.respondToModelStructure(model=model, structure_factor=structure)
967
[3b3b40b]968    def onCustomModelChange(self):
969        """
970        Reload the custom model combobox
971        """
972        self.custom_models = self.customModels()
973        self.readCustomCategoryInfo()
974        # See if we need to update the combo in-place
975        if self.cbCategory.currentText() != CATEGORY_CUSTOM: return
976
977        current_text = self.cbModel.currentText()
978        self.cbModel.blockSignals(True)
979        self.cbModel.clear()
980        self.cbModel.blockSignals(False)
981        self.enableModelCombo()
982        self.disableStructureCombo()
983        # Retrieve the list of models
984        model_list = self.master_category_dict[CATEGORY_CUSTOM]
985        # Populate the models combobox
986        self.cbModel.addItems(sorted([model for (model, _) in model_list]))
987        new_index = self.cbModel.findText(current_text)
988        if new_index != -1:
989            self.cbModel.setCurrentIndex(self.cbModel.findText(current_text))
990
991    def onSelectionChanged(self):
992        """
993        React to parameter selection
994        """
995        rows = self.lstParams.selectionModel().selectedRows()
996        # Clean previous messages
997        self.communicate.statusBarUpdateSignal.emit("")
998        if len(rows) == 1:
999            # Show constraint, if present
1000            row = rows[0].row()
1001            if self.rowHasConstraint(row):
1002                func = self.getConstraintForRow(row).func
1003                if func is not None:
1004                    self.communicate.statusBarUpdateSignal.emit("Active constrain: "+func)
1005
[47d7d2d]1006    def replaceConstraintName(self, old_name, new_name=""):
1007        """
1008        Replace names of models in defined constraints
1009        """
1010        param_number = self._model_model.rowCount()
1011        # loop over parameters
1012        for row in range(param_number):
1013            if self.rowHasConstraint(row):
1014                func = self._model_model.item(row, 1).child(0).data().func
1015                if old_name in func:
1016                    new_func = func.replace(old_name, new_name)
1017                    self._model_model.item(row, 1).child(0).data().func = new_func
1018
[3b3b40b]1019    def isConstraintMultimodel(self, constraint):
1020        """
1021        Check if the constraint function text contains current model name
1022        """
1023        current_model_name = self.kernel_module.name
1024        if current_model_name in constraint:
1025            return False
1026        else:
1027            return True
1028
[9c0ce68]1029    def updateData(self):
1030        """
1031        Helper function for recalculation of data used in plotting
1032        """
1033        # Update the chart
[0268aed]1034        if self.data_is_loaded:
[d48cc19]1035            self.cmdPlot.setText("Show Plot")
[0268aed]1036            self.calculateQGridForModel()
1037        else:
[d48cc19]1038            self.cmdPlot.setText("Calculate")
[0268aed]1039            # Create default datasets if no data passed
1040            self.createDefaultDataset()
1041
[9c0ce68]1042    def respondToModelStructure(self, model=None, structure_factor=None):
1043        # Set enablement on calculate/plot
1044        self.cmdPlot.setEnabled(True)
1045
1046        # kernel parameters -> model_model
1047        self.SASModelToQModel(model, structure_factor)
1048
1049        # Update plot
1050        self.updateData()
1051
[6011788]1052        # Update state stack
[00b3b40]1053        self.updateUndo()
[2add354]1054
[be8f4b0]1055        # Let others know
1056        self.newModelSignal.emit()
1057
[cd31251]1058    def onSelectCategory(self):
[60af928]1059        """
1060        Select Category from list
1061        """
[d6b8a1d]1062        category = self.cbCategory.currentText()
[86f88d1]1063        # Check if the user chose "Choose category entry"
[4d457df]1064        if category == CATEGORY_DEFAULT:
[86f88d1]1065            # if the previous category was not the default, keep it.
1066            # Otherwise, just return
1067            if self._previous_category_index != 0:
[351b53e]1068                # We need to block signals, or else state changes on perceived unchanged conditions
1069                self.cbCategory.blockSignals(True)
[86f88d1]1070                self.cbCategory.setCurrentIndex(self._previous_category_index)
[351b53e]1071                self.cbCategory.blockSignals(False)
[86f88d1]1072            return
1073
[4d457df]1074        if category == CATEGORY_STRUCTURE:
[6f7f652]1075            self.disableModelCombo()
1076            self.enableStructureCombo()
[29eb947]1077            self._model_model.clear()
[6f7f652]1078            return
[8b480d27]1079
[cbcdd2c]1080        # Safely clear and enable the model combo
[6f7f652]1081        self.cbModel.blockSignals(True)
1082        self.cbModel.clear()
1083        self.cbModel.blockSignals(False)
1084        self.enableModelCombo()
1085        self.disableStructureCombo()
1086
[86f88d1]1087        self._previous_category_index = self.cbCategory.currentIndex()
[cbcdd2c]1088        # Retrieve the list of models
[4d457df]1089        model_list = self.master_category_dict[category]
[cbcdd2c]1090        # Populate the models combobox
[b1e36a3]1091        self.cbModel.addItems(sorted([model for (model, _) in model_list]))
[4d457df]1092
[0268aed]1093    def onPolyModelChange(self, item):
1094        """
1095        Callback method for updating the main model and sasmodel
1096        parameters with the GUI values in the polydispersity view
1097        """
1098        model_column = item.column()
1099        model_row = item.row()
1100        name_index = self._poly_model.index(model_row, 0)
[7fb471d]1101        parameter_name = str(name_index.data()).lower() # "distribution of sld" etc.
[c1e380e]1102        if "distribution of" in parameter_name:
[358b39d]1103            # just the last word
1104            parameter_name = parameter_name.rsplit()[-1]
[c1e380e]1105
[06b0138]1106        # Extract changed value.
[8eaa101]1107        if model_column == self.lstPoly.itemDelegate().poly_parameter:
[00b3b40]1108            # Is the parameter checked for fitting?
[0268aed]1109            value = item.checkState()
[1643d8ed]1110            parameter_name = parameter_name + '.width'
[c1e380e]1111            if value == QtCore.Qt.Checked:
1112                self.parameters_to_fit.append(parameter_name)
1113            else:
1114                if parameter_name in self.parameters_to_fit:
1115                    self.parameters_to_fit.remove(parameter_name)
[b00414d]1116            self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded)
[c1e380e]1117            return
[8eaa101]1118        elif model_column in [self.lstPoly.itemDelegate().poly_min, self.lstPoly.itemDelegate().poly_max]:
[aca8418]1119            try:
[fbfc488]1120                value = GuiUtils.toDouble(item.text())
[0261bc1]1121            except TypeError:
[aca8418]1122                # Can't be converted properly, bring back the old value and exit
1123                return
1124
1125            current_details = self.kernel_module.details[parameter_name]
1126            current_details[model_column-1] = value
[8eaa101]1127        elif model_column == self.lstPoly.itemDelegate().poly_function:
[919d47c]1128            # name of the function - just pass
1129            return
[0268aed]1130        else:
1131            try:
[fbfc488]1132                value = GuiUtils.toDouble(item.text())
[0261bc1]1133            except TypeError:
[0268aed]1134                # Can't be converted properly, bring back the old value and exit
1135                return
1136
[aca8418]1137            # Update the sasmodel
1138            # PD[ratio] -> width, npts -> npts, nsigs -> nsigmas
[919d47c]1139            self.kernel_module.setParam(parameter_name + '.' + \
[8eaa101]1140                                        self.lstPoly.itemDelegate().columnDict()[model_column], value)
[0268aed]1141
[9c0ce68]1142            # Update plot
1143            self.updateData()
1144
[b00414d]1145    def onMagnetModelChange(self, item):
1146        """
1147        Callback method for updating the sasmodel magnetic parameters with the GUI values
1148        """
1149        model_column = item.column()
1150        model_row = item.row()
1151        name_index = self._magnet_model.index(model_row, 0)
[fbfc488]1152        parameter_name = str(self._magnet_model.data(name_index))
[b00414d]1153
1154        if model_column == 0:
1155            value = item.checkState()
1156            if value == QtCore.Qt.Checked:
1157                self.parameters_to_fit.append(parameter_name)
1158            else:
1159                if parameter_name in self.parameters_to_fit:
1160                    self.parameters_to_fit.remove(parameter_name)
1161            self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded)
1162            # Update state stack
1163            self.updateUndo()
1164            return
1165
1166        # Extract changed value.
1167        try:
[fbfc488]1168            value = GuiUtils.toDouble(item.text())
[0261bc1]1169        except TypeError:
[b00414d]1170            # Unparsable field
1171            return
1172
[fbfc488]1173        property_index = self._magnet_model.headerData(1, model_column)-1 # Value, min, max, etc.
[b00414d]1174
1175        # Update the parameter value - note: this supports +/-inf as well
1176        self.kernel_module.params[parameter_name] = value
1177
1178        # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf]
1179        self.kernel_module.details[parameter_name][property_index] = value
1180
1181        # Force the chart update when actual parameters changed
1182        if model_column == 1:
1183            self.recalculatePlotData()
1184
1185        # Update state stack
1186        self.updateUndo()
1187
[2add354]1188    def onHelp(self):
1189        """
1190        Show the "Fitting" section of help
1191        """
[aed0532]1192        tree_location = "/user/qtgui/Perspectives/Fitting/"
[70080a0]1193
1194        # Actual file will depend on the current tab
1195        tab_id = self.tabFitting.currentIndex()
1196        helpfile = "fitting.html"
1197        if tab_id == 0:
1198            helpfile = "fitting_help.html"
1199        elif tab_id == 1:
1200            helpfile = "residuals_help.html"
1201        elif tab_id == 2:
[e90988c]1202            helpfile = "resolution.html"
[70080a0]1203        elif tab_id == 3:
[e90988c]1204            helpfile = "pd/polydispersity.html"
[70080a0]1205        elif tab_id == 4:
[e90988c]1206            helpfile = "magnetism/magnetism.html"
[70080a0]1207        help_location = tree_location + helpfile
[d6b8a1d]1208
[e90988c]1209        self.showHelp(help_location)
1210
1211    def showHelp(self, url):
1212        """
1213        Calls parent's method for opening an HTML page
1214        """
1215        self.parent.showHelp(url)
[2add354]1216
[6ff2eb3]1217    def onDisplayMagneticAngles(self):
1218        """
1219        Display a simple image showing direction of magnetic angles
1220        """
1221        self.magneticAnglesWidget.show()
1222
[0268aed]1223    def onFit(self):
1224        """
1225        Perform fitting on the current data
1226        """
[ded5e77]1227        if self.fit_started:
1228            self.stopFit()
1229            return
1230
[116dd4c1]1231        # initialize fitter constants
[f182f93]1232        fit_id = 0
1233        handler = None
1234        batch_inputs = {}
1235        batch_outputs = {}
1236        #---------------------------------
[14ec91c5]1237        if LocalConfig.USING_TWISTED:
[7adc2a8]1238            handler = None
1239            updater = None
1240        else:
1241            handler = ConsoleUpdate(parent=self.parent,
1242                                    manager=self,
1243                                    improvement_delta=0.1)
1244            updater = handler.update_fit
[f182f93]1245
[116dd4c1]1246        # Prepare the fitter object
[c6343a5]1247        try:
1248            fitters, _ = self.prepareFitters()
1249        except ValueError as ex:
1250            # This should not happen! GUI explicitly forbids this situation
[3b3b40b]1251            self.communicate.statusBarUpdateSignal.emit(str(ex))
[c6343a5]1252            return
[f182f93]1253
[d4dac80]1254        # keep local copy of kernel parameters, as they will change during the update
1255        self.kernel_module_copy = copy.deepcopy(self.kernel_module)
1256
[f182f93]1257        # Create the fitting thread, based on the fitter
[3b3b40b]1258        completefn = self.batchFittingCompleted if self.is_batch_fitting else self.fittingCompleted
[ee18d33]1259
[ded5e77]1260        self.calc_fit = FitThread(handler=handler,
[116dd4c1]1261                            fn=fitters,
1262                            batch_inputs=batch_inputs,
1263                            batch_outputs=batch_outputs,
1264                            page_id=[[self.page_id]],
1265                            updatefn=updater,
[91ad45c]1266                            completefn=completefn,
1267                            reset_flag=self.is_chain_fitting)
[7adc2a8]1268
[14ec91c5]1269        if LocalConfig.USING_TWISTED:
[7adc2a8]1270            # start the trhrhread with twisted
[ded5e77]1271            calc_thread = threads.deferToThread(self.calc_fit.compute)
[14ec91c5]1272            calc_thread.addCallback(completefn)
[7adc2a8]1273            calc_thread.addErrback(self.fitFailed)
1274        else:
1275            # Use the old python threads + Queue
[ded5e77]1276            self.calc_fit.queue()
1277            self.calc_fit.ready(2.5)
[f182f93]1278
[d7ff531]1279        self.communicate.statusBarUpdateSignal.emit('Fitting started...')
[ded5e77]1280        self.fit_started = True
[14ec91c5]1281        # Disable some elements
1282        self.setFittingStarted()
[0268aed]1283
[ded5e77]1284    def stopFit(self):
1285        """
1286        Attempt to stop the fitting thread
1287        """
1288        if self.calc_fit is None or not self.calc_fit.isrunning():
1289            return
1290        self.calc_fit.stop()
1291        #self.fit_started=False
1292        #re-enable the Fit button
1293        self.setFittingStopped()
1294
1295        msg = "Fitting cancelled."
1296        self.communicate.statusBarUpdateSignal.emit(msg)
1297
[f182f93]1298    def updateFit(self):
1299        """
1300        """
[b3e8629]1301        print("UPDATE FIT")
[0268aed]1302        pass
1303
[02ddfb4]1304    def fitFailed(self, reason):
1305        """
1306        """
[ded5e77]1307        self.setFittingStopped()
1308        msg = "Fitting failed with: "+ str(reason)
1309        self.communicate.statusBarUpdateSignal.emit(msg)
[02ddfb4]1310
[3b3b40b]1311    def batchFittingCompleted(self, result):
1312        """
1313        Send the finish message from calculate threads to main thread
1314        """
1315        self.batchFittingFinishedSignal.emit(result)
1316
[ee18d33]1317    def batchFitComplete(self, result):
1318        """
1319        Receive and display batch fitting results
1320        """
1321        #re-enable the Fit button
[14ec91c5]1322        self.setFittingStopped()
[d4dac80]1323
1324        if result is None:
1325            msg = "Fitting failed."
1326            self.communicate.statusBarUpdateSignal.emit(msg)
1327            return
1328
[3b3b40b]1329        # Show the grid panel
[d4dac80]1330        self.communicate.sendDataToGridSignal.emit(result[0])
1331
1332        elapsed = result[1]
1333        msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed)
1334        self.communicate.statusBarUpdateSignal.emit(msg)
1335
1336        # Run over the list of results and update the items
1337        for res_index, res_list in enumerate(result[0]):
1338            # results
1339            res = res_list[0]
1340            param_dict = self.paramDictFromResults(res)
1341
1342            # create local kernel_module
1343            kernel_module = FittingUtilities.updateKernelWithResults(self.kernel_module, param_dict)
1344            # pull out current data
1345            data = self._logic[res_index].data
1346
1347            # Switch indexes
1348            self.onSelectBatchFilename(res_index)
1349
1350            method = self.complete1D if isinstance(self.data, Data1D) else self.complete2D
1351            self.calculateQGridForModelExt(data=data, model=kernel_module, completefn=method, use_threads=False)
1352
1353        # Restore original kernel_module, so subsequent fits on the same model don't pick up the new params
1354        if self.kernel_module is not None:
1355            self.kernel_module = copy.deepcopy(self.kernel_module_copy)
1356
1357    def paramDictFromResults(self, results):
1358        """
1359        Given the fit results structure, pull out optimized parameters and return them as nicely
1360        formatted dict
1361        """
1362        if results.fitness is None or \
1363            not np.isfinite(results.fitness) or \
1364            np.any(results.pvec is None) or \
1365            not np.all(np.isfinite(results.pvec)):
1366            msg = "Fitting did not converge!"
1367            self.communicate.statusBarUpdateSignal.emit(msg)
1368            msg += results.mesg
1369            logging.error(msg)
1370            return
1371
1372        param_list = results.param_list # ['radius', 'radius.width']
1373        param_values = results.pvec     # array([ 0.36221662,  0.0146783 ])
1374        param_stderr = results.stderr   # array([ 1.71293015,  1.71294233])
1375        params_and_errors = list(zip(param_values, param_stderr))
1376        param_dict = dict(zip(param_list, params_and_errors))
1377
1378        return param_dict
[3b3b40b]1379
1380    def fittingCompleted(self, result):
1381        """
1382        Send the finish message from calculate threads to main thread
1383        """
1384        self.fittingFinishedSignal.emit(result)
[ee18d33]1385
[f182f93]1386    def fitComplete(self, result):
1387        """
1388        Receive and display fitting results
1389        "result" is a tuple of actual result list and the fit time in seconds
1390        """
1391        #re-enable the Fit button
[14ec91c5]1392        self.setFittingStopped()
[d7ff531]1393
[c3eb858]1394        if result is None:
[3b3b40b]1395            msg = "Fitting failed."
[06234fc]1396            self.communicate.statusBarUpdateSignal.emit(msg)
1397            return
[d7ff531]1398
[ee18d33]1399        res_list = result[0][0]
[f182f93]1400        res = res_list[0]
[d4dac80]1401        self.chi2 = res.fitness
1402        param_dict = self.paramDictFromResults(res)
[f182f93]1403
1404        elapsed = result[1]
[ded5e77]1405        if self.calc_fit._interrupting:
1406            msg = "Fitting cancelled by user after: %s s." % GuiUtils.formatNumber(elapsed)
1407            logging.warning("\n"+msg+"\n")
1408        else:
1409            msg = "Fitting completed successfully in: %s s." % GuiUtils.formatNumber(elapsed)
[f182f93]1410        self.communicate.statusBarUpdateSignal.emit(msg)
1411
1412        # Dictionary of fitted parameter: value, error
1413        # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)}
1414        self.updateModelFromList(param_dict)
1415
[aca8418]1416        self.updatePolyModelFromList(param_dict)
1417
[b00414d]1418        self.updateMagnetModelFromList(param_dict)
1419
[d7ff531]1420        # update charts
1421        self.onPlot()
1422
[f182f93]1423        # Read only value - we can get away by just printing it here
[2add354]1424        chi2_repr = GuiUtils.formatNumber(self.chi2, high=True)
[f182f93]1425        self.lblChi2Value.setText(chi2_repr)
1426
[116dd4c1]1427    def prepareFitters(self, fitter=None, fit_id=0):
1428        """
1429        Prepare the Fitter object for use in fitting
1430        """
1431        # fitter = None -> single/batch fitting
1432        # fitter = Fit() -> simultaneous fitting
1433
1434        # Data going in
1435        data = self.logic.data
1436        model = self.kernel_module
1437        qmin = self.q_range_min
1438        qmax = self.q_range_max
1439        params_to_fit = self.parameters_to_fit
[c6343a5]1440        if (not params_to_fit):
1441            raise ValueError('Fitting requires at least one parameter to optimize.')
[116dd4c1]1442
1443        # Potential weights added directly to data
1444        self.addWeightingToData(data)
1445
1446        # Potential smearing added
1447        # Remember that smearing_min/max can be None ->
1448        # deal with it until Python gets discriminated unions
1449        smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state()
1450
[8b480d27]1451        # Get the constraints.
1452        constraints = self.getComplexConstraintsForModel()
1453        if fitter is None:
1454            # For single fits - check for inter-model constraints
1455            constraints = self.getConstraintsForFitting()
[3b3b40b]1456
[116dd4c1]1457        smearer = None
1458        handler = None
1459        batch_inputs = {}
1460        batch_outputs = {}
1461
1462        fitters = []
1463        for fit_index in self.all_data:
1464            fitter_single = Fit() if fitter is None else fitter
1465            data = GuiUtils.dataFromItem(fit_index)
1466            try:
1467                fitter_single.set_model(model, fit_id, params_to_fit, data=data,
1468                             constraints=constraints)
1469            except ValueError as ex:
[3b3b40b]1470                raise ValueError("Setting model parameters failed with: %s" % ex)
[116dd4c1]1471
1472            qmin, qmax, _ = self.logic.computeRangeFromData(data)
1473            fitter_single.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin,
1474                            qmax=qmax)
1475            fitter_single.select_problem_for_fit(id=fit_id, value=1)
1476            if fitter is None:
1477                # Assign id to the new fitter only
1478                fitter_single.fitter_id = [self.page_id]
1479            fit_id += 1
1480            fitters.append(fitter_single)
1481
1482        return fitters, fit_id
1483
[f182f93]1484    def iterateOverModel(self, func):
1485        """
1486        Take func and throw it inside the model row loop
1487        """
[b3e8629]1488        for row_i in range(self._model_model.rowCount()):
[f182f93]1489            func(row_i)
1490
1491    def updateModelFromList(self, param_dict):
1492        """
1493        Update the model with new parameters, create the errors column
1494        """
1495        assert isinstance(param_dict, dict)
1496        if not dict:
1497            return
1498
[919d47c]1499        def updateFittedValues(row):
[f182f93]1500            # Utility function for main model update
[d7ff531]1501            # internal so can use closure for param_dict
[919d47c]1502            param_name = str(self._model_model.item(row, 0).text())
[b3e8629]1503            if param_name not in list(param_dict.keys()):
[f182f93]1504                return
1505            # modify the param value
[454670d]1506            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
[919d47c]1507            self._model_model.item(row, 1).setText(param_repr)
[f182f93]1508            if self.has_error_column:
[454670d]1509                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
[919d47c]1510                self._model_model.item(row, 2).setText(error_repr)
[f182f93]1511
[919d47c]1512        def updatePolyValues(row):
1513            # Utility function for updateof polydispersity part of the main model
1514            param_name = str(self._model_model.item(row, 0).text())+'.width'
[b3e8629]1515            if param_name not in list(param_dict.keys()):
[919d47c]1516                return
1517            # modify the param value
1518            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1519            self._model_model.item(row, 0).child(0).child(0,1).setText(param_repr)
1520
1521        def createErrorColumn(row):
[f182f93]1522            # Utility function for error column update
1523            item = QtGui.QStandardItem()
[919d47c]1524            def createItem(param_name):
[f182f93]1525                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1526                item.setText(error_repr)
[919d47c]1527            def curr_param():
1528                return str(self._model_model.item(row, 0).text())
1529
[b3e8629]1530            [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name]
[919d47c]1531
[f182f93]1532            error_column.append(item)
1533
[2da5759]1534        # block signals temporarily, so we don't end up
1535        # updating charts with every single model change on the end of fitting
1536        self._model_model.blockSignals(True)
[d7ff531]1537        self.iterateOverModel(updateFittedValues)
[919d47c]1538        self.iterateOverModel(updatePolyValues)
[2da5759]1539        self._model_model.blockSignals(False)
[f182f93]1540
1541        if self.has_error_column:
1542            return
1543
1544        error_column = []
[8f2548c]1545        self.lstParams.itemDelegate().addErrorColumn()
[d7ff531]1546        self.iterateOverModel(createErrorColumn)
[f182f93]1547
[d7ff531]1548        # switch off reponse to model change
[f182f93]1549        self._model_model.insertColumn(2, error_column)
1550        FittingUtilities.addErrorHeadersToModel(self._model_model)
[d7ff531]1551        # Adjust the table cells width.
1552        # TODO: find a way to dynamically adjust column width while resized expanding
1553        self.lstParams.resizeColumnToContents(0)
1554        self.lstParams.resizeColumnToContents(4)
1555        self.lstParams.resizeColumnToContents(5)
[4992ff2]1556        self.lstParams.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
[d7ff531]1557
1558        self.has_error_column = True
[f182f93]1559
[aca8418]1560    def updatePolyModelFromList(self, param_dict):
1561        """
1562        Update the polydispersity model with new parameters, create the errors column
1563        """
1564        assert isinstance(param_dict, dict)
1565        if not dict:
1566            return
1567
[b00414d]1568        def iterateOverPolyModel(func):
1569            """
1570            Take func and throw it inside the poly model row loop
1571            """
[b3e8629]1572            for row_i in range(self._poly_model.rowCount()):
[b00414d]1573                func(row_i)
1574
[aca8418]1575        def updateFittedValues(row_i):
1576            # Utility function for main model update
1577            # internal so can use closure for param_dict
1578            if row_i >= self._poly_model.rowCount():
1579                return
1580            param_name = str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width'
[b3e8629]1581            if param_name not in list(param_dict.keys()):
[aca8418]1582                return
1583            # modify the param value
1584            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1585            self._poly_model.item(row_i, 1).setText(param_repr)
1586            if self.has_poly_error_column:
1587                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1588                self._poly_model.item(row_i, 2).setText(error_repr)
1589
[919d47c]1590
[aca8418]1591        def createErrorColumn(row_i):
1592            # Utility function for error column update
1593            if row_i >= self._poly_model.rowCount():
1594                return
1595            item = QtGui.QStandardItem()
[919d47c]1596
1597            def createItem(param_name):
[aca8418]1598                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1599                item.setText(error_repr)
[919d47c]1600
1601            def poly_param():
1602                return str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width'
1603
[b3e8629]1604            [createItem(param_name) for param_name in list(param_dict.keys()) if poly_param() == param_name]
[919d47c]1605
[aca8418]1606            error_column.append(item)
1607
1608        # block signals temporarily, so we don't end up
1609        # updating charts with every single model change on the end of fitting
1610        self._poly_model.blockSignals(True)
[b00414d]1611        iterateOverPolyModel(updateFittedValues)
[aca8418]1612        self._poly_model.blockSignals(False)
1613
1614        if self.has_poly_error_column:
1615            return
1616
[8eaa101]1617        self.lstPoly.itemDelegate().addErrorColumn()
[aca8418]1618        error_column = []
[b00414d]1619        iterateOverPolyModel(createErrorColumn)
[aca8418]1620
1621        # switch off reponse to model change
1622        self._poly_model.blockSignals(True)
1623        self._poly_model.insertColumn(2, error_column)
1624        self._poly_model.blockSignals(False)
1625        FittingUtilities.addErrorPolyHeadersToModel(self._poly_model)
1626
1627        self.has_poly_error_column = True
1628
[b00414d]1629    def updateMagnetModelFromList(self, param_dict):
1630        """
1631        Update the magnetic model with new parameters, create the errors column
1632        """
1633        assert isinstance(param_dict, dict)
1634        if not dict:
1635            return
[3b3b40b]1636        if self._magnet_model.rowCount() == 0:
[cee5c78]1637            return
[b00414d]1638
1639        def iterateOverMagnetModel(func):
1640            """
1641            Take func and throw it inside the magnet model row loop
1642            """
[b3e8629]1643            for row_i in range(self._model_model.rowCount()):
[b00414d]1644                func(row_i)
1645
1646        def updateFittedValues(row):
1647            # Utility function for main model update
1648            # internal so can use closure for param_dict
[cee5c78]1649            if self._magnet_model.item(row, 0) is None:
1650                return
[b00414d]1651            param_name = str(self._magnet_model.item(row, 0).text())
[b3e8629]1652            if param_name not in list(param_dict.keys()):
[b00414d]1653                return
1654            # modify the param value
1655            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1656            self._magnet_model.item(row, 1).setText(param_repr)
1657            if self.has_magnet_error_column:
1658                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1659                self._magnet_model.item(row, 2).setText(error_repr)
1660
1661        def createErrorColumn(row):
1662            # Utility function for error column update
1663            item = QtGui.QStandardItem()
1664            def createItem(param_name):
1665                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1666                item.setText(error_repr)
1667            def curr_param():
1668                return str(self._magnet_model.item(row, 0).text())
1669
[b3e8629]1670            [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name]
[b00414d]1671
1672            error_column.append(item)
1673
1674        # block signals temporarily, so we don't end up
1675        # updating charts with every single model change on the end of fitting
1676        self._magnet_model.blockSignals(True)
1677        iterateOverMagnetModel(updateFittedValues)
1678        self._magnet_model.blockSignals(False)
1679
1680        if self.has_magnet_error_column:
1681            return
1682
1683        self.lstMagnetic.itemDelegate().addErrorColumn()
1684        error_column = []
1685        iterateOverMagnetModel(createErrorColumn)
1686
1687        # switch off reponse to model change
1688        self._magnet_model.blockSignals(True)
1689        self._magnet_model.insertColumn(2, error_column)
1690        self._magnet_model.blockSignals(False)
1691        FittingUtilities.addErrorHeadersToModel(self._magnet_model)
1692
1693        self.has_magnet_error_column = True
1694
[0268aed]1695    def onPlot(self):
1696        """
1697        Plot the current set of data
1698        """
[d48cc19]1699        # Regardless of previous state, this should now be `plot show` functionality only
1700        self.cmdPlot.setText("Show Plot")
[88e1f57]1701        # Force data recalculation so existing charts are updated
1702        self.recalculatePlotData()
[d48cc19]1703        self.showPlot()
1704
1705    def recalculatePlotData(self):
1706        """
1707        Generate a new dataset for model
1708        """
[180bd54]1709        if not self.data_is_loaded:
[0268aed]1710            self.createDefaultDataset()
1711        self.calculateQGridForModel()
1712
[d48cc19]1713    def showPlot(self):
1714        """
1715        Show the current plot in MPL
1716        """
1717        # Show the chart if ready
1718        data_to_show = self.data if self.data_is_loaded else self.model_data
1719        if data_to_show is not None:
1720            self.communicate.plotRequestedSignal.emit([data_to_show])
1721
[180bd54]1722    def onOptionsUpdate(self):
[0268aed]1723        """
[180bd54]1724        Update local option values and replot
[0268aed]1725        """
[180bd54]1726        self.q_range_min, self.q_range_max, self.npts, self.log_points, self.weighting = \
1727            self.options_widget.state()
[61a92d4]1728        # set Q range labels on the main tab
1729        self.lblMinRangeDef.setText(str(self.q_range_min))
1730        self.lblMaxRangeDef.setText(str(self.q_range_max))
[d48cc19]1731        self.recalculatePlotData()
[6c8fb2c]1732
[0268aed]1733    def setDefaultStructureCombo(self):
1734        """
1735        Fill in the structure factors combo box with defaults
1736        """
1737        structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE)
1738        factors = [factor[0] for factor in structure_factor_list]
1739        factors.insert(0, STRUCTURE_DEFAULT)
1740        self.cbStructureFactor.clear()
1741        self.cbStructureFactor.addItems(sorted(factors))
1742
[4d457df]1743    def createDefaultDataset(self):
1744        """
1745        Generate default Dataset 1D/2D for the given model
1746        """
1747        # Create default datasets if no data passed
1748        if self.is2D:
[180bd54]1749            qmax = self.q_range_max/np.sqrt(2)
[4d457df]1750            qstep = self.npts
1751            self.logic.createDefault2dData(qmax, qstep, self.tab_id)
[180bd54]1752            return
1753        elif self.log_points:
1754            qmin = -10.0 if self.q_range_min < 1.e-10 else np.log10(self.q_range_min)
[1bc27f1]1755            qmax = 10.0 if self.q_range_max > 1.e10 else np.log10(self.q_range_max)
[180bd54]1756            interval = np.logspace(start=qmin, stop=qmax, num=self.npts, endpoint=True, base=10.0)
[4d457df]1757        else:
[180bd54]1758            interval = np.linspace(start=self.q_range_min, stop=self.q_range_max,
[1bc27f1]1759                                   num=self.npts, endpoint=True)
[180bd54]1760        self.logic.createDefault1dData(interval, self.tab_id)
[60af928]1761
[5236449]1762    def readCategoryInfo(self):
[60af928]1763        """
1764        Reads the categories in from file
1765        """
1766        self.master_category_dict = defaultdict(list)
1767        self.by_model_dict = defaultdict(list)
1768        self.model_enabled_dict = defaultdict(bool)
1769
[cbcdd2c]1770        categorization_file = CategoryInstaller.get_user_file()
1771        if not os.path.isfile(categorization_file):
1772            categorization_file = CategoryInstaller.get_default_file()
1773        with open(categorization_file, 'rb') as cat_file:
[60af928]1774            self.master_category_dict = json.load(cat_file)
[5236449]1775            self.regenerateModelDict()
[60af928]1776
[5236449]1777        # Load the model dict
1778        models = load_standard_models()
1779        for model in models:
1780            self.models[model.name] = model
1781
[3b3b40b]1782        self.readCustomCategoryInfo()
1783
1784    def readCustomCategoryInfo(self):
1785        """
1786        Reads the custom model category
1787        """
1788        #Looking for plugins
1789        self.plugins = list(self.custom_models.values())
1790        plugin_list = []
1791        for name, plug in self.custom_models.items():
1792            self.models[name] = plug
1793            plugin_list.append([name, True])
1794        self.master_category_dict[CATEGORY_CUSTOM] = plugin_list
1795
[5236449]1796    def regenerateModelDict(self):
[60af928]1797        """
[cbcdd2c]1798        Regenerates self.by_model_dict which has each model name as the
[60af928]1799        key and the list of categories belonging to that model
1800        along with the enabled mapping
1801        """
1802        self.by_model_dict = defaultdict(list)
1803        for category in self.master_category_dict:
1804            for (model, enabled) in self.master_category_dict[category]:
1805                self.by_model_dict[model].append(category)
1806                self.model_enabled_dict[model] = enabled
1807
[86f88d1]1808    def addBackgroundToModel(self, model):
1809        """
1810        Adds background parameter with default values to the model
1811        """
[cbcdd2c]1812        assert isinstance(model, QtGui.QStandardItemModel)
[86f88d1]1813        checked_list = ['background', '0.001', '-inf', 'inf', '1/cm']
[4d457df]1814        FittingUtilities.addCheckedListToModel(model, checked_list)
[2add354]1815        last_row = model.rowCount()-1
1816        model.item(last_row, 0).setEditable(False)
1817        model.item(last_row, 4).setEditable(False)
[86f88d1]1818
1819    def addScaleToModel(self, model):
1820        """
1821        Adds scale parameter with default values to the model
1822        """
[cbcdd2c]1823        assert isinstance(model, QtGui.QStandardItemModel)
[86f88d1]1824        checked_list = ['scale', '1.0', '0.0', 'inf', '']
[4d457df]1825        FittingUtilities.addCheckedListToModel(model, checked_list)
[2add354]1826        last_row = model.rowCount()-1
1827        model.item(last_row, 0).setEditable(False)
1828        model.item(last_row, 4).setEditable(False)
[86f88d1]1829
[9d266d2]1830    def addWeightingToData(self, data):
1831        """
1832        Adds weighting contribution to fitting data
[1bc27f1]1833        """
[e1e3e09]1834        # Send original data for weighting
[dc5ef15]1835        weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting)
[180bd54]1836        update_module = data.err_data if self.is2D else data.dy
[6964d44]1837        # Overwrite relevant values in data
[180bd54]1838        update_module = weight
[9d266d2]1839
[0268aed]1840    def updateQRange(self):
1841        """
1842        Updates Q Range display
1843        """
1844        if self.data_is_loaded:
1845            self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange()
1846        # set Q range labels on the main tab
1847        self.lblMinRangeDef.setText(str(self.q_range_min))
1848        self.lblMaxRangeDef.setText(str(self.q_range_max))
1849        # set Q range labels on the options tab
[180bd54]1850        self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts)
[0268aed]1851
[4d457df]1852    def SASModelToQModel(self, model_name, structure_factor=None):
[60af928]1853        """
[cbcdd2c]1854        Setting model parameters into table based on selected category
[60af928]1855        """
1856        # Crete/overwrite model items
1857        self._model_model.clear()
[5236449]1858
[fd1ae6d1]1859        # First, add parameters from the main model
1860        if model_name is not None:
1861            self.fromModelToQModel(model_name)
[5236449]1862
[fd1ae6d1]1863        # Then, add structure factor derived parameters
[cd31251]1864        if structure_factor is not None and structure_factor != "None":
[fd1ae6d1]1865            if model_name is None:
1866                # Instantiate the current sasmodel for SF-only models
1867                self.kernel_module = self.models[structure_factor]()
1868            self.fromStructureFactorToQModel(structure_factor)
[cd31251]1869        else:
[fd1ae6d1]1870            # Allow the SF combobox visibility for the given sasmodel
1871            self.enableStructureFactorControl(structure_factor)
[cd31251]1872
[fd1ae6d1]1873        # Then, add multishells
1874        if model_name is not None:
1875            # Multishell models need additional treatment
1876            self.addExtraShells()
[86f88d1]1877
[5236449]1878        # Add polydispersity to the model
[86f88d1]1879        self.setPolyModel()
[5236449]1880        # Add magnetic parameters to the model
[86f88d1]1881        self.setMagneticModel()
[5236449]1882
[a9b568c]1883        # Adjust the table cells width
1884        self.lstParams.resizeColumnToContents(0)
[4992ff2]1885        self.lstParams.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
[a9b568c]1886
[5236449]1887        # Now we claim the model has been loaded
[86f88d1]1888        self.model_is_loaded = True
[be8f4b0]1889        # Change the model name to a monicker
1890        self.kernel_module.name = self.modelName()
[86f88d1]1891
[fd1ae6d1]1892        # (Re)-create headers
1893        FittingUtilities.addHeadersToModel(self._model_model)
[6964d44]1894        self.lstParams.header().setFont(self.boldFont)
[fd1ae6d1]1895
[5236449]1896        # Update Q Ranges
1897        self.updateQRange()
1898
[fd1ae6d1]1899    def fromModelToQModel(self, model_name):
1900        """
1901        Setting model parameters into QStandardItemModel based on selected _model_
1902        """
[3b3b40b]1903        name = model_name
1904        if self.cbCategory.currentText() == CATEGORY_CUSTOM:
1905            # custom kernel load requires full path
1906            name = os.path.join(ModelUtilities.find_plugins_dir(), model_name+".py")
1907        kernel_module = generate.load_kernel_module(name)
[fd1ae6d1]1908        self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', []))
1909
1910        # Instantiate the current sasmodel
1911        self.kernel_module = self.models[model_name]()
1912
1913        # Explicitly add scale and background with default values
[6964d44]1914        temp_undo_state = self.undo_supported
1915        self.undo_supported = False
[fd1ae6d1]1916        self.addScaleToModel(self._model_model)
1917        self.addBackgroundToModel(self._model_model)
[6964d44]1918        self.undo_supported = temp_undo_state
[fd1ae6d1]1919
[0d13814]1920        self.shell_names = self.shellNamesList()
1921
[fd1ae6d1]1922        # Update the QModel
[aca8418]1923        new_rows = FittingUtilities.addParametersToModel(self.model_parameters, self.kernel_module, self.is2D)
1924
[fd1ae6d1]1925        for row in new_rows:
1926            self._model_model.appendRow(row)
1927        # Update the counter used for multishell display
1928        self._last_model_row = self._model_model.rowCount()
1929
1930    def fromStructureFactorToQModel(self, structure_factor):
1931        """
1932        Setting model parameters into QStandardItemModel based on selected _structure factor_
1933        """
1934        structure_module = generate.load_kernel_module(structure_factor)
1935        structure_parameters = modelinfo.make_parameter_table(getattr(structure_module, 'parameters', []))
[5d1440e1]1936        structure_kernel = self.models[structure_factor]()
1937
1938        self.kernel_module._model_info = product.make_product_info(self.kernel_module._model_info, structure_kernel._model_info)
[fd1ae6d1]1939
1940        new_rows = FittingUtilities.addSimpleParametersToModel(structure_parameters, self.is2D)
1941        for row in new_rows:
1942            self._model_model.appendRow(row)
1943        # Update the counter used for multishell display
1944        self._last_model_row = self._model_model.rowCount()
1945
[b00414d]1946    def onMainParamsChange(self, item):
[cd31251]1947        """
1948        Callback method for updating the sasmodel parameters with the GUI values
1949        """
[cbcdd2c]1950        model_column = item.column()
[cd31251]1951
1952        if model_column == 0:
[f182f93]1953            self.checkboxSelected(item)
[2add354]1954            self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded)
[6964d44]1955            # Update state stack
1956            self.updateUndo()
[cd31251]1957            return
1958
[f182f93]1959        model_row = item.row()
1960        name_index = self._model_model.index(model_row, 0)
1961
[b00414d]1962        # Extract changed value.
[2add354]1963        try:
[fbfc488]1964            value = GuiUtils.toDouble(item.text())
[0261bc1]1965        except TypeError:
[2add354]1966            # Unparsable field
1967            return
[fbfc488]1968
1969        parameter_name = str(self._model_model.data(name_index)) # sld, background etc.
[cbcdd2c]1970
[00b3b40]1971        # Update the parameter value - note: this supports +/-inf as well
[cbcdd2c]1972        self.kernel_module.params[parameter_name] = value
1973
[8a32a6ff]1974        # Update the parameter value - note: this supports +/-inf as well
[8f2548c]1975        param_column = self.lstParams.itemDelegate().param_value
1976        min_column = self.lstParams.itemDelegate().param_min
1977        max_column = self.lstParams.itemDelegate().param_max
1978        if model_column == param_column:
[8a32a6ff]1979            self.kernel_module.setParam(parameter_name, value)
[8f2548c]1980        elif model_column == min_column:
[8a32a6ff]1981            # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf]
[8f2548c]1982            self.kernel_module.details[parameter_name][1] = value
1983        elif model_column == max_column:
1984            self.kernel_module.details[parameter_name][2] = value
1985        else:
1986            # don't update the chart
1987            return
[00b3b40]1988
1989        # TODO: magnetic params in self.kernel_module.details['M0:parameter_name'] = value
1990        # TODO: multishell params in self.kernel_module.details[??] = value
[cbcdd2c]1991
[d7ff531]1992        # Force the chart update when actual parameters changed
1993        if model_column == 1:
[d48cc19]1994            self.recalculatePlotData()
[7d077d1]1995
[2241130]1996        # Update state stack
[00b3b40]1997        self.updateUndo()
[2241130]1998
[7fd20fc]1999    def isCheckable(self, row):
2000        return self._model_model.item(row, 0).isCheckable()
2001
[f182f93]2002    def checkboxSelected(self, item):
2003        # Assure we're dealing with checkboxes
2004        if not item.isCheckable():
2005            return
2006        status = item.checkState()
2007
2008        # If multiple rows selected - toggle all of them, filtering uncheckable
2009        # Switch off signaling from the model to avoid recursion
2010        self._model_model.blockSignals(True)
2011        # Convert to proper indices and set requested enablement
[7fd20fc]2012        self.setParameterSelection(status)
2013        #[self._model_model.item(row, 0).setCheckState(status) for row in self.selectedParameters()]
[f182f93]2014        self._model_model.blockSignals(False)
2015
2016        # update the list of parameters to fit
[c1e380e]2017        main_params = self.checkedListFromModel(self._model_model)
2018        poly_params = self.checkedListFromModel(self._poly_model)
[b00414d]2019        magnet_params = self.checkedListFromModel(self._magnet_model)
2020
[c1e380e]2021        # Retrieve poly params names
[358b39d]2022        poly_params = [param.rsplit()[-1] + '.width' for param in poly_params]
[c1e380e]2023
[b00414d]2024        self.parameters_to_fit = main_params + poly_params + magnet_params
[c1e380e]2025
2026    def checkedListFromModel(self, model):
2027        """
2028        Returns list of checked parameters for given model
2029        """
2030        def isChecked(row):
2031            return model.item(row, 0).checkState() == QtCore.Qt.Checked
2032
2033        return [str(model.item(row_index, 0).text())
[b3e8629]2034                for row_index in range(model.rowCount())
[c1e380e]2035                if isChecked(row_index)]
[f182f93]2036
[6fd4e36]2037    def createNewIndex(self, fitted_data):
2038        """
2039        Create a model or theory index with passed Data1D/Data2D
2040        """
2041        if self.data_is_loaded:
[0268aed]2042            if not fitted_data.name:
2043                name = self.nameForFittedData(self.data.filename)
2044                fitted_data.title = name
2045                fitted_data.name = name
2046                fitted_data.filename = name
[7d077d1]2047                fitted_data.symbol = "Line"
[6fd4e36]2048            self.updateModelIndex(fitted_data)
2049        else:
[d6e38661]2050            name = self.nameForFittedData(self.kernel_module.id)
[0268aed]2051            fitted_data.title = name
2052            fitted_data.name = name
2053            fitted_data.filename = name
2054            fitted_data.symbol = "Line"
[6fd4e36]2055            self.createTheoryIndex(fitted_data)
2056
2057    def updateModelIndex(self, fitted_data):
2058        """
2059        Update a QStandardModelIndex containing model data
2060        """
[00b3b40]2061        name = self.nameFromData(fitted_data)
[0268aed]2062        # Make this a line if no other defined
[7d077d1]2063        if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None:
[0268aed]2064            fitted_data.symbol = 'Line'
[6fd4e36]2065        # Notify the GUI manager so it can update the main model in DataExplorer
[d4dac80]2066        GuiUtils.updateModelItemWithPlot(self.all_data[self.data_index], fitted_data, name)
[6fd4e36]2067
2068    def createTheoryIndex(self, fitted_data):
2069        """
2070        Create a QStandardModelIndex containing model data
2071        """
[00b3b40]2072        name = self.nameFromData(fitted_data)
2073        # Notify the GUI manager so it can create the theory model in DataExplorer
[b3e8629]2074        new_item = GuiUtils.createModelItemWithPlot(fitted_data, name=name)
[00b3b40]2075        self.communicate.updateTheoryFromPerspectiveSignal.emit(new_item)
2076
2077    def nameFromData(self, fitted_data):
2078        """
2079        Return name for the dataset. Terribly impure function.
2080        """
[0268aed]2081        if fitted_data.name is None:
[00b3b40]2082            name = self.nameForFittedData(self.logic.data.filename)
[0268aed]2083            fitted_data.title = name
2084            fitted_data.name = name
2085            fitted_data.filename = name
2086        else:
2087            name = fitted_data.name
[00b3b40]2088        return name
[5236449]2089
[4d457df]2090    def methodCalculateForData(self):
2091        '''return the method for data calculation'''
2092        return Calc1D if isinstance(self.data, Data1D) else Calc2D
2093
2094    def methodCompleteForData(self):
2095        '''return the method for result parsin on calc complete '''
[d4dac80]2096        return self.completed1D if isinstance(self.data, Data1D) else self.completed2D
[4d457df]2097
[d4dac80]2098    def calculateQGridForModelExt(self, data=None, model=None, completefn=None, use_threads=True):
[86f88d1]2099        """
[d4dac80]2100        Wrapper for Calc1D/2D calls
[86f88d1]2101        """
[d4dac80]2102        if data is None:
2103            data = self.data
2104        if model is None:
2105            model = self.kernel_module
2106        if completefn is None:
2107            completefn = self.methodCompleteForData()
2108
[4d457df]2109        # Awful API to a backend method.
[d4dac80]2110        calc_thread = self.methodCalculateForData()(data=data,
2111                                               model=model,
[1bc27f1]2112                                               page_id=0,
2113                                               qmin=self.q_range_min,
2114                                               qmax=self.q_range_max,
2115                                               smearer=None,
2116                                               state=None,
2117                                               weight=None,
2118                                               fid=None,
2119                                               toggle_mode_on=False,
[d4dac80]2120                                               completefn=completefn,
[1bc27f1]2121                                               update_chisqr=True,
2122                                               exception_handler=self.calcException,
2123                                               source=None)
[d4dac80]2124        if use_threads:
2125            if LocalConfig.USING_TWISTED:
2126                # start the thread with twisted
2127                thread = threads.deferToThread(calc_thread.compute)
2128                thread.addCallback(completefn)
2129                thread.addErrback(self.calculateDataFailed)
2130            else:
2131                # Use the old python threads + Queue
2132                calc_thread.queue()
2133                calc_thread.ready(2.5)
2134        else:
2135            results = calc_thread.compute()
2136            completefn(results)
[4d457df]2137
[d4dac80]2138    def calculateQGridForModel(self):
2139        """
2140        Prepare the fitting data object, based on current ModelModel
2141        """
2142        if self.kernel_module is None:
2143            return
2144        self.calculateQGridForModelExt()
[6964d44]2145
[aca8418]2146    def calculateDataFailed(self, reason):
[6964d44]2147        """
[c1e380e]2148        Thread returned error
[6964d44]2149        """
[b3e8629]2150        print("Calculate Data failed with ", reason)
[5236449]2151
[d4dac80]2152    def completed1D(self, return_data):
2153        self.Calc1DFinishedSignal.emit(return_data)
2154
2155    def completed2D(self, return_data):
2156        self.Calc2DFinishedSignal.emit(return_data)
2157
[cbcdd2c]2158    def complete1D(self, return_data):
[5236449]2159        """
[4d457df]2160        Plot the current 1D data
2161        """
[d48cc19]2162        fitted_data = self.logic.new1DPlot(return_data, self.tab_id)
2163        self.calculateResiduals(fitted_data)
2164        self.model_data = fitted_data
[cbcdd2c]2165
2166    def complete2D(self, return_data):
2167        """
[4d457df]2168        Plot the current 2D data
2169        """
[6fd4e36]2170        fitted_data = self.logic.new2DPlot(return_data)
2171        self.calculateResiduals(fitted_data)
[d48cc19]2172        self.model_data = fitted_data
[6fd4e36]2173
2174    def calculateResiduals(self, fitted_data):
2175        """
2176        Calculate and print Chi2 and display chart of residuals
2177        """
2178        # Create a new index for holding data
[7d077d1]2179        fitted_data.symbol = "Line"
[6964d44]2180
2181        # Modify fitted_data with weighting
2182        self.addWeightingToData(fitted_data)
2183
[6fd4e36]2184        self.createNewIndex(fitted_data)
2185        # Calculate difference between return_data and logic.data
[2add354]2186        self.chi2 = FittingUtilities.calculateChi2(fitted_data, self.logic.data)
[6fd4e36]2187        # Update the control
[2add354]2188        chi2_repr = "---" if self.chi2 is None else GuiUtils.formatNumber(self.chi2, high=True)
[f182f93]2189        self.lblChi2Value.setText(chi2_repr)
[cbcdd2c]2190
[d48cc19]2191        self.communicate.plotUpdateSignal.emit([fitted_data])
2192
[0268aed]2193        # Plot residuals if actual data
[aca8418]2194        if not self.data_is_loaded:
2195            return
2196
2197        residuals_plot = FittingUtilities.plotResiduals(self.data, fitted_data)
2198        residuals_plot.id = "Residual " + residuals_plot.id
2199        self.createNewIndex(residuals_plot)
[5236449]2200
2201    def calcException(self, etype, value, tb):
2202        """
[c1e380e]2203        Thread threw an exception.
[5236449]2204        """
[c1e380e]2205        # TODO: remimplement thread cancellation
[5236449]2206        logging.error("".join(traceback.format_exception(etype, value, tb)))
[60af928]2207
2208    def setTableProperties(self, table):
2209        """
2210        Setting table properties
2211        """
2212        # Table properties
2213        table.verticalHeader().setVisible(False)
2214        table.setAlternatingRowColors(True)
[4992ff2]2215        table.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
2216        table.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows)
[f46f6dc]2217        table.resizeColumnsToContents()
2218
[60af928]2219        # Header
2220        header = table.horizontalHeader()
[4992ff2]2221        header.setSectionResizeMode(QtWidgets.QHeaderView.ResizeToContents)
2222        header.ResizeMode(QtWidgets.QHeaderView.Interactive)
[f46f6dc]2223
[4992ff2]2224        # Qt5: the following 2 lines crash - figure out why!
[e43fc91]2225        # Resize column 0 and 7 to content
[4992ff2]2226        #header.setSectionResizeMode(0, QtWidgets.QHeaderView.ResizeToContents)
2227        #header.setSectionResizeMode(7, QtWidgets.QHeaderView.ResizeToContents)
[60af928]2228
2229    def setPolyModel(self):
2230        """
2231        Set polydispersity values
2232        """
[86f88d1]2233        if not self.model_parameters:
2234            return
2235        self._poly_model.clear()
2236
[e43fc91]2237        [self.setPolyModelParameters(i, param) for i, param in \
[aca8418]2238            enumerate(self.model_parameters.form_volume_parameters) if param.polydisperse]
[4d457df]2239        FittingUtilities.addPolyHeadersToModel(self._poly_model)
[60af928]2240
[e43fc91]2241    def setPolyModelParameters(self, i, param):
[aca8418]2242        """
[0d13814]2243        Standard of multishell poly parameter driver
[aca8418]2244        """
[0d13814]2245        param_name = param.name
2246        # see it the parameter is multishell
[06b0138]2247        if '[' in param.name:
[0d13814]2248            # Skip empty shells
2249            if self.current_shell_displayed == 0:
2250                return
2251            else:
2252                # Create as many entries as current shells
[b3e8629]2253                for ishell in range(1, self.current_shell_displayed+1):
[0d13814]2254                    # Remove [n] and add the shell numeral
2255                    name = param_name[0:param_name.index('[')] + str(ishell)
[e43fc91]2256                    self.addNameToPolyModel(i, name)
[0d13814]2257        else:
2258            # Just create a simple param entry
[e43fc91]2259            self.addNameToPolyModel(i, param_name)
[0d13814]2260
[e43fc91]2261    def addNameToPolyModel(self, i, param_name):
[0d13814]2262        """
2263        Creates a checked row in the poly model with param_name
2264        """
[144ec831]2265        # Polydisp. values from the sasmodel
[0d13814]2266        width = self.kernel_module.getParam(param_name + '.width')
2267        npts = self.kernel_module.getParam(param_name + '.npts')
2268        nsigs = self.kernel_module.getParam(param_name + '.nsigmas')
2269        _, min, max = self.kernel_module.details[param_name]
[144ec831]2270
2271        # Construct a row with polydisp. related variable.
2272        # This will get added to the polydisp. model
2273        # Note: last argument needs extra space padding for decent display of the control
[0d13814]2274        checked_list = ["Distribution of " + param_name, str(width),
2275                        str(min), str(max),
[e43fc91]2276                        str(npts), str(nsigs), "gaussian      ",'']
[aca8418]2277        FittingUtilities.addCheckedListToModel(self._poly_model, checked_list)
2278
2279        # All possible polydisp. functions as strings in combobox
[4992ff2]2280        func = QtWidgets.QComboBox()
[b3e8629]2281        func.addItems([str(name_disp) for name_disp in POLYDISPERSITY_MODELS.keys()])
[e43fc91]2282        # Set the default index
[aca8418]2283        func.setCurrentIndex(func.findText(DEFAULT_POLYDISP_FUNCTION))
[e43fc91]2284        ind = self._poly_model.index(i,self.lstPoly.itemDelegate().poly_function)
2285        self.lstPoly.setIndexWidget(ind, func)
2286        func.currentIndexChanged.connect(lambda: self.onPolyComboIndexChange(str(func.currentText()), i))
2287
2288    def onPolyFilenameChange(self, row_index):
2289        """
2290        Respond to filename_updated signal from the delegate
2291        """
2292        # For the given row, invoke the "array" combo handler
2293        array_caption = 'array'
[8222f171]2294
[e43fc91]2295        # Get the combo box reference
2296        ind = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
2297        widget = self.lstPoly.indexWidget(ind)
[8222f171]2298
[e43fc91]2299        # Update the combo box so it displays "array"
2300        widget.blockSignals(True)
2301        widget.setCurrentIndex(self.lstPoly.itemDelegate().POLYDISPERSE_FUNCTIONS.index(array_caption))
2302        widget.blockSignals(False)
[aca8418]2303
[8222f171]2304        # Invoke the file reader
2305        self.onPolyComboIndexChange(array_caption, row_index)
2306
[aca8418]2307    def onPolyComboIndexChange(self, combo_string, row_index):
2308        """
2309        Modify polydisp. defaults on function choice
2310        """
[144ec831]2311        # Get npts/nsigs for current selection
[aca8418]2312        param = self.model_parameters.form_volume_parameters[row_index]
[e43fc91]2313        file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
2314        combo_box = self.lstPoly.indexWidget(file_index)
[aca8418]2315
[919d47c]2316        def updateFunctionCaption(row):
2317            # Utility function for update of polydispersity function name in the main model
[1643d8ed]2318            param_name = str(self._model_model.item(row, 0).text())
[919d47c]2319            if param_name !=  param.name:
2320                return
[144ec831]2321            # Modify the param value
[919d47c]2322            self._model_model.item(row, 0).child(0).child(0,4).setText(combo_string)
2323
[aca8418]2324        if combo_string == 'array':
2325            try:
[e43fc91]2326                self.loadPolydispArray(row_index)
[919d47c]2327                # Update main model for display
2328                self.iterateOverModel(updateFunctionCaption)
[e43fc91]2329                # disable the row
2330                lo = self.lstPoly.itemDelegate().poly_pd
2331                hi = self.lstPoly.itemDelegate().poly_function
[b3e8629]2332                [self._poly_model.item(row_index, i).setEnabled(False) for i in range(lo, hi)]
[aca8418]2333                return
[e43fc91]2334            except IOError:
[8222f171]2335                combo_box.setCurrentIndex(self.orig_poly_index)
[e43fc91]2336                # Pass for cancel/bad read
2337                pass
[aca8418]2338
2339        # Enable the row in case it was disabled by Array
[919d47c]2340        self._poly_model.blockSignals(True)
[e43fc91]2341        max_range = self.lstPoly.itemDelegate().poly_filename
[b3e8629]2342        [self._poly_model.item(row_index, i).setEnabled(True) for i in range(7)]
[e43fc91]2343        file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
[b3e8629]2344        self._poly_model.setData(file_index, "")
[919d47c]2345        self._poly_model.blockSignals(False)
[aca8418]2346
[8eaa101]2347        npts_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_npts)
2348        nsigs_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_nsigs)
[aca8418]2349
2350        npts = POLYDISPERSITY_MODELS[str(combo_string)].default['npts']
2351        nsigs = POLYDISPERSITY_MODELS[str(combo_string)].default['nsigmas']
2352
[b3e8629]2353        self._poly_model.setData(npts_index, npts)
2354        self._poly_model.setData(nsigs_index, nsigs)
[aca8418]2355
[919d47c]2356        self.iterateOverModel(updateFunctionCaption)
[8222f171]2357        self.orig_poly_index = combo_box.currentIndex()
[919d47c]2358
[e43fc91]2359    def loadPolydispArray(self, row_index):
[aca8418]2360        """
2361        Show the load file dialog and loads requested data into state
2362        """
[4992ff2]2363        datafile = QtWidgets.QFileDialog.getOpenFileName(
2364            self, "Choose a weight file", "", "All files (*.*)", None,
[fbfc488]2365            QtWidgets.QFileDialog.DontUseNativeDialog)[0]
[72f4834]2366
[fbfc488]2367        if not datafile:
[aca8418]2368            logging.info("No weight data chosen.")
[1643d8ed]2369            raise IOError
[72f4834]2370
[aca8418]2371        values = []
2372        weights = []
[919d47c]2373        def appendData(data_tuple):
2374            """
2375            Fish out floats from a tuple of strings
2376            """
2377            try:
2378                values.append(float(data_tuple[0]))
2379                weights.append(float(data_tuple[1]))
2380            except (ValueError, IndexError):
2381                # just pass through if line with bad data
2382                return
2383
[aca8418]2384        with open(datafile, 'r') as column_file:
2385            column_data = [line.rstrip().split() for line in column_file.readlines()]
[919d47c]2386            [appendData(line) for line in column_data]
[aca8418]2387
[1643d8ed]2388        # If everything went well - update the sasmodel values
[aca8418]2389        self.disp_model = POLYDISPERSITY_MODELS['array']()
2390        self.disp_model.set_weights(np.array(values), np.array(weights))
[e43fc91]2391        # + update the cell with filename
2392        fname = os.path.basename(str(datafile))
2393        fname_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
[b3e8629]2394        self._poly_model.setData(fname_index, fname)
[aca8418]2395
[60af928]2396    def setMagneticModel(self):
2397        """
2398        Set magnetism values on model
2399        """
[86f88d1]2400        if not self.model_parameters:
2401            return
2402        self._magnet_model.clear()
[aca8418]2403        [self.addCheckedMagneticListToModel(param, self._magnet_model) for param in \
[06b0138]2404            self.model_parameters.call_parameters if param.type == 'magnetic']
[4d457df]2405        FittingUtilities.addHeadersToModel(self._magnet_model)
[60af928]2406
[0d13814]2407    def shellNamesList(self):
2408        """
2409        Returns list of names of all multi-shell parameters
2410        E.g. for sld[n], radius[n], n=1..3 it will return
2411        [sld1, sld2, sld3, radius1, radius2, radius3]
2412        """
2413        multi_names = [p.name[:p.name.index('[')] for p in self.model_parameters.iq_parameters if '[' in p.name]
2414        top_index = self.kernel_module.multiplicity_info.number
2415        shell_names = []
[b3e8629]2416        for i in range(1, top_index+1):
[0d13814]2417            for name in multi_names:
2418                shell_names.append(name+str(i))
2419        return shell_names
2420
[aca8418]2421    def addCheckedMagneticListToModel(self, param, model):
2422        """
2423        Wrapper for model update with a subset of magnetic parameters
2424        """
[0d13814]2425        if param.name[param.name.index(':')+1:] in self.shell_names:
2426            # check if two-digit shell number
2427            try:
2428                shell_index = int(param.name[-2:])
2429            except ValueError:
2430                shell_index = int(param.name[-1:])
2431
2432            if shell_index > self.current_shell_displayed:
2433                return
2434
[aca8418]2435        checked_list = [param.name,
2436                        str(param.default),
2437                        str(param.limits[0]),
2438                        str(param.limits[1]),
2439                        param.units]
2440
2441        FittingUtilities.addCheckedListToModel(model, checked_list)
2442
[fd1ae6d1]2443    def enableStructureFactorControl(self, structure_factor):
[cd31251]2444        """
2445        Add structure factors to the list of parameters
2446        """
[fd1ae6d1]2447        if self.kernel_module.is_form_factor or structure_factor == 'None':
[cd31251]2448            self.enableStructureCombo()
2449        else:
2450            self.disableStructureCombo()
2451
[60af928]2452    def addExtraShells(self):
2453        """
[f46f6dc]2454        Add a combobox for multiple shell display
[60af928]2455        """
[4d457df]2456        param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters)
[f46f6dc]2457
2458        if param_length == 0:
2459            return
2460
[6f7f652]2461        # cell 1: variable name
[f46f6dc]2462        item1 = QtGui.QStandardItem(param_name)
2463
[4992ff2]2464        func = QtWidgets.QComboBox()
[b1e36a3]2465        # Available range of shells displayed in the combobox
[b3e8629]2466        func.addItems([str(i) for i in range(param_length+1)])
[a9b568c]2467
[b1e36a3]2468        # Respond to index change
[86f88d1]2469        func.currentIndexChanged.connect(self.modifyShellsInList)
[60af928]2470
[6f7f652]2471        # cell 2: combobox
[f46f6dc]2472        item2 = QtGui.QStandardItem()
2473        self._model_model.appendRow([item1, item2])
[60af928]2474
[6f7f652]2475        # Beautify the row:  span columns 2-4
[60af928]2476        shell_row = self._model_model.rowCount()
[f46f6dc]2477        shell_index = self._model_model.index(shell_row-1, 1)
[86f88d1]2478
[4d457df]2479        self.lstParams.setIndexWidget(shell_index, func)
[86f88d1]2480        self._last_model_row = self._model_model.rowCount()
2481
[a9b568c]2482        # Set the index to the state-kept value
2483        func.setCurrentIndex(self.current_shell_displayed
2484                             if self.current_shell_displayed < func.count() else 0)
2485
[86f88d1]2486    def modifyShellsInList(self, index):
2487        """
2488        Add/remove additional multishell parameters
2489        """
2490        # Find row location of the combobox
2491        last_row = self._last_model_row
2492        remove_rows = self._model_model.rowCount() - last_row
2493
2494        if remove_rows > 1:
2495            self._model_model.removeRows(last_row, remove_rows)
2496
[4d457df]2497        FittingUtilities.addShellsToModel(self.model_parameters, self._model_model, index)
[a9b568c]2498        self.current_shell_displayed = index
[60af928]2499
[0d13814]2500        # Update relevant models
2501        self.setPolyModel()
2502        self.setMagneticModel()
2503
[14ec91c5]2504    def setFittingStarted(self):
2505        """
[ded5e77]2506        Set buttion caption on fitting start
[14ec91c5]2507        """
[ded5e77]2508        # Notify the user that fitting is being run
2509        # Allow for stopping the job
2510        self.cmdFit.setStyleSheet('QPushButton {color: red;}')
2511        self.cmdFit.setText('Stop fit')
[14ec91c5]2512
2513    def setFittingStopped(self):
2514        """
[ded5e77]2515        Set button caption on fitting stop
[14ec91c5]2516        """
[ded5e77]2517        # Notify the user that fitting is available
2518        self.cmdFit.setStyleSheet('QPushButton {color: black;}')
[14ec91c5]2519        self.cmdFit.setText("Fit")
[ded5e77]2520        self.fit_started = False
[14ec91c5]2521
[672b8ab]2522    def readFitPage(self, fp):
2523        """
2524        Read in state from a fitpage object and update GUI
2525        """
2526        assert isinstance(fp, FitPage)
2527        # Main tab info
2528        self.logic.data.filename = fp.filename
2529        self.data_is_loaded = fp.data_is_loaded
2530        self.chkPolydispersity.setCheckState(fp.is_polydisperse)
2531        self.chkMagnetism.setCheckState(fp.is_magnetic)
2532        self.chk2DView.setCheckState(fp.is2D)
2533
2534        # Update the comboboxes
2535        self.cbCategory.setCurrentIndex(self.cbCategory.findText(fp.current_category))
2536        self.cbModel.setCurrentIndex(self.cbModel.findText(fp.current_model))
2537        if fp.current_factor:
2538            self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(fp.current_factor))
2539
2540        self.chi2 = fp.chi2
2541
2542        # Options tab
2543        self.q_range_min = fp.fit_options[fp.MIN_RANGE]
2544        self.q_range_max = fp.fit_options[fp.MAX_RANGE]
2545        self.npts = fp.fit_options[fp.NPTS]
2546        self.log_points = fp.fit_options[fp.LOG_POINTS]
2547        self.weighting = fp.fit_options[fp.WEIGHTING]
2548
2549        # Models
[d60da0c]2550        self._model_model = fp.model_model
2551        self._poly_model = fp.poly_model
2552        self._magnet_model = fp.magnetism_model
[672b8ab]2553
2554        # Resolution tab
2555        smearing = fp.smearing_options[fp.SMEARING_OPTION]
2556        accuracy = fp.smearing_options[fp.SMEARING_ACCURACY]
2557        smearing_min = fp.smearing_options[fp.SMEARING_MIN]
2558        smearing_max = fp.smearing_options[fp.SMEARING_MAX]
2559        self.smearing_widget.setState(smearing, accuracy, smearing_min, smearing_max)
2560
2561        # TODO: add polidyspersity and magnetism
2562
2563    def saveToFitPage(self, fp):
2564        """
2565        Write current state to the given fitpage
2566        """
2567        assert isinstance(fp, FitPage)
2568
2569        # Main tab info
2570        fp.filename = self.logic.data.filename
2571        fp.data_is_loaded = self.data_is_loaded
2572        fp.is_polydisperse = self.chkPolydispersity.isChecked()
2573        fp.is_magnetic = self.chkMagnetism.isChecked()
2574        fp.is2D = self.chk2DView.isChecked()
2575        fp.data = self.data
2576
2577        # Use current models - they contain all the required parameters
2578        fp.model_model = self._model_model
2579        fp.poly_model = self._poly_model
2580        fp.magnetism_model = self._magnet_model
2581
2582        if self.cbCategory.currentIndex() != 0:
2583            fp.current_category = str(self.cbCategory.currentText())
2584            fp.current_model = str(self.cbModel.currentText())
2585
2586        if self.cbStructureFactor.isEnabled() and self.cbStructureFactor.currentIndex() != 0:
2587            fp.current_factor = str(self.cbStructureFactor.currentText())
2588        else:
2589            fp.current_factor = ''
2590
2591        fp.chi2 = self.chi2
2592        fp.parameters_to_fit = self.parameters_to_fit
[6964d44]2593        fp.kernel_module = self.kernel_module
[672b8ab]2594
[6ff2eb3]2595        # Algorithm options
2596        # fp.algorithm = self.parent.fit_options.selected_id
2597
[672b8ab]2598        # Options tab
2599        fp.fit_options[fp.MIN_RANGE] = self.q_range_min
2600        fp.fit_options[fp.MAX_RANGE] = self.q_range_max
2601        fp.fit_options[fp.NPTS] = self.npts
2602        #fp.fit_options[fp.NPTS_FIT] = self.npts_fit
2603        fp.fit_options[fp.LOG_POINTS] = self.log_points
2604        fp.fit_options[fp.WEIGHTING] = self.weighting
2605
2606        # Resolution tab
2607        smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state()
2608        fp.smearing_options[fp.SMEARING_OPTION] = smearing
2609        fp.smearing_options[fp.SMEARING_ACCURACY] = accuracy
2610        fp.smearing_options[fp.SMEARING_MIN] = smearing_min
2611        fp.smearing_options[fp.SMEARING_MAX] = smearing_max
2612
2613        # TODO: add polidyspersity and magnetism
2614
[00b3b40]2615
2616    def updateUndo(self):
2617        """
2618        Create a new state page and add it to the stack
2619        """
2620        if self.undo_supported:
2621            self.pushFitPage(self.currentState())
2622
[672b8ab]2623    def currentState(self):
2624        """
2625        Return fit page with current state
2626        """
2627        new_page = FitPage()
2628        self.saveToFitPage(new_page)
2629
2630        return new_page
2631
2632    def pushFitPage(self, new_page):
2633        """
2634        Add a new fit page object with current state
2635        """
[6011788]2636        self.page_stack.append(new_page)
[672b8ab]2637
2638    def popFitPage(self):
2639        """
2640        Remove top fit page from stack
2641        """
[6011788]2642        if self.page_stack:
2643            self.page_stack.pop()
[672b8ab]2644
[57be490]2645    def getReport(self):
2646        """
2647        Create and return HTML report with parameters and charts
2648        """
2649        index = None
2650        if self.all_data:
2651            index = self.all_data[self.data_index]
2652        report_logic = ReportPageLogic(self,
2653                                       kernel_module=self.kernel_module,
2654                                       data=self.data,
2655                                       index=index,
2656                                       model=self._model_model)
2657
2658        return report_logic.reportList()
2659
2660    def savePageState(self):
2661        """
2662        Create and serialize local PageState
2663        """
2664        from sas.sascalc.fit.pagestate import Reader
2665        model = self.kernel_module
2666
2667        # Old style PageState object
2668        state = PageState(model=model, data=self.data)
2669
2670        # Add parameter data to the state
2671        self.getCurrentFitState(state)
2672
2673        # Create the filewriter, aptly named 'Reader'
2674        state_reader = Reader(self.loadPageStateCallback)
2675        filepath = self.saveAsAnalysisFile()
2676        if filepath is None:
2677            return
2678        state_reader.write(filename=filepath, fitstate=state)
2679        pass
2680
2681    def saveAsAnalysisFile(self):
2682        """
2683        Show the save as... dialog and return the chosen filepath
2684        """
2685        default_name = "FitPage"+str(self.tab_id)+".fitv"
2686
2687        wildcard = "fitv files (*.fitv)"
2688        kwargs = {
2689            'caption'   : 'Save As',
2690            'directory' : default_name,
2691            'filter'    : wildcard,
2692            'parent'    : None,
2693        }
2694        # Query user for filename.
2695        filename_tuple = QtWidgets.QFileDialog.getSaveFileName(**kwargs)
2696        filename = filename_tuple[0]
2697        return filename
2698
2699    def loadPageStateCallback(self,state=None, datainfo=None, format=None):
2700        """
2701        This is a callback method called from the CANSAS reader.
2702        We need the instance of this reader only for writing out a file,
2703        so there's nothing here.
2704        Until Load Analysis is implemented, that is.
2705        """
2706        pass
2707
2708    def loadPageState(self, pagestate=None):
2709        """
2710        Load the PageState object and update the current widget
2711        """
2712        pass
2713
2714    def getCurrentFitState(self, state=None):
2715        """
2716        Store current state for fit_page
2717        """
2718        # save model option
2719        #if self.model is not None:
2720        #    self.disp_list = self.getDispParamList()
2721        #    state.disp_list = copy.deepcopy(self.disp_list)
2722        #    #state.model = self.model.clone()
2723
2724        # Comboboxes
2725        state.categorycombobox = self.cbCategory.currentText()
2726        state.formfactorcombobox = self.cbModel.currentText()
2727        if self.cbStructureFactor.isEnabled():
2728            state.structureCombobox = self.cbStructureFactor.currentText()
2729        state.tcChi = self.chi2
2730
2731        state.enable2D = self.is2D
2732
2733        #state.weights = copy.deepcopy(self.weights)
2734        # save data
2735        state.data = copy.deepcopy(self.data)
2736
2737        # save plotting range
2738        state.qmin = self.q_range_min
2739        state.qmax = self.q_range_max
2740        state.npts = self.npts
2741
2742        #    self.state.enable_disp = self.enable_disp.GetValue()
2743        #    self.state.disable_disp = self.disable_disp.GetValue()
2744
2745        #    self.state.enable_smearer = \
2746        #                        copy.deepcopy(self.enable_smearer.GetValue())
2747        #    self.state.disable_smearer = \
2748        #                        copy.deepcopy(self.disable_smearer.GetValue())
2749
2750        #self.state.pinhole_smearer = \
2751        #                        copy.deepcopy(self.pinhole_smearer.GetValue())
2752        #self.state.slit_smearer = copy.deepcopy(self.slit_smearer.GetValue())
2753        #self.state.dI_noweight = copy.deepcopy(self.dI_noweight.GetValue())
2754        #self.state.dI_didata = copy.deepcopy(self.dI_didata.GetValue())
2755        #self.state.dI_sqrdata = copy.deepcopy(self.dI_sqrdata.GetValue())
2756        #self.state.dI_idata = copy.deepcopy(self.dI_idata.GetValue())
2757
2758        p = self.model_parameters
2759        # save checkbutton state and txtcrtl values
2760        state.parameters = FittingUtilities.getStandardParam()
2761        state.orientation_params_disp = FittingUtilities.getOrientationParam()
2762
2763        #self._copy_parameters_state(self.orientation_params_disp, self.state.orientation_params_disp)
2764        #self._copy_parameters_state(self.parameters, self.state.parameters)
2765        #self._copy_parameters_state(self.fittable_param, self.state.fittable_param)
2766        #self._copy_parameters_state(self.fixed_param, self.state.fixed_param)
2767
2768
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