source: sasview/src/sas/qtgui/Perspectives/Fitting/FittingWidget.py @ 50cafe7

ESS_GUIESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalc
Last change on this file since 50cafe7 was 50cafe7, checked in by Piotr Rozyczko <rozyczko@…>, 6 years ago

Don't show constraint menu on parameter headers.

  • Property mode set to 100644
File size: 126.4 KB
RevLine 
[60af928]1import json
[cd31251]2import os
[60af928]3from collections import defaultdict
[b3e8629]4
[d4dac80]5import copy
[5236449]6import logging
7import traceback
[cbcdd2c]8from twisted.internet import threads
[1bc27f1]9import numpy as np
[e90988c]10import webbrowser
[5236449]11
[4992ff2]12from PyQt5 import QtCore
13from PyQt5 import QtGui
14from PyQt5 import QtWidgets
[60af928]15
16from sasmodels import generate
17from sasmodels import modelinfo
[5236449]18from sasmodels.sasview_model import load_standard_models
[18d5c94a]19from sasmodels.sasview_model import MultiplicationModel
[358b39d]20from sasmodels.weights import MODELS as POLYDISPERSITY_MODELS
21
[f182f93]22from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit
[57be490]23from sas.sascalc.fit.pagestate import PageState
[5236449]24
[83eb5208]25import sas.qtgui.Utilities.GuiUtils as GuiUtils
[14ec91c5]26import sas.qtgui.Utilities.LocalConfig as LocalConfig
[dc5ef15]27from sas.qtgui.Utilities.CategoryInstaller import CategoryInstaller
28from sas.qtgui.Plotting.PlotterData import Data1D
29from sas.qtgui.Plotting.PlotterData import Data2D
[5236449]30
[1bc27f1]31from sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI import Ui_FittingWidgetUI
[dc5ef15]32from sas.qtgui.Perspectives.Fitting.FitThread import FitThread
[7adc2a8]33from sas.qtgui.Perspectives.Fitting.ConsoleUpdate import ConsoleUpdate
34
[dc5ef15]35from sas.qtgui.Perspectives.Fitting.ModelThread import Calc1D
36from sas.qtgui.Perspectives.Fitting.ModelThread import Calc2D
[4d457df]37from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic
38from sas.qtgui.Perspectives.Fitting import FittingUtilities
[3b3b40b]39from sas.qtgui.Perspectives.Fitting import ModelUtilities
[1bc27f1]40from sas.qtgui.Perspectives.Fitting.SmearingWidget import SmearingWidget
41from sas.qtgui.Perspectives.Fitting.OptionsWidget import OptionsWidget
42from sas.qtgui.Perspectives.Fitting.FitPage import FitPage
[ad6b4e2]43from sas.qtgui.Perspectives.Fitting.ViewDelegate import ModelViewDelegate
[6011788]44from sas.qtgui.Perspectives.Fitting.ViewDelegate import PolyViewDelegate
[b00414d]45from sas.qtgui.Perspectives.Fitting.ViewDelegate import MagnetismViewDelegate
[14ec91c5]46from sas.qtgui.Perspectives.Fitting.Constraint import Constraint
[eae226b]47from sas.qtgui.Perspectives.Fitting.MultiConstraint import MultiConstraint
[57be490]48from sas.qtgui.Perspectives.Fitting.ReportPageLogic import ReportPageLogic
49
[60af928]50TAB_MAGNETISM = 4
51TAB_POLY = 3
[cbcdd2c]52CATEGORY_DEFAULT = "Choose category..."
[4d457df]53CATEGORY_STRUCTURE = "Structure Factor"
[3b3b40b]54CATEGORY_CUSTOM = "Plugin Models"
[351b53e]55STRUCTURE_DEFAULT = "None"
[60af928]56
[358b39d]57DEFAULT_POLYDISP_FUNCTION = 'gaussian'
58
[7adc2a8]59
[dc71408]60logger = logging.getLogger(__name__)
61
[13cd397]62class ToolTippedItemModel(QtGui.QStandardItemModel):
[f54ce30]63    """
64    Subclass from QStandardItemModel to allow displaying tooltips in
65    QTableView model.
66    """
[d0dfcb2]67    def __init__(self, parent=None):
[8e2cd79]68        QtGui.QStandardItemModel.__init__(self, parent)
[13cd397]69
[fbfc488]70    def headerData(self, section, orientation, role=QtCore.Qt.DisplayRole):
[f54ce30]71        """
72        Displays tooltip for each column's header
73        :param section:
74        :param orientation:
75        :param role:
76        :return:
77        """
[13cd397]78        if role == QtCore.Qt.ToolTipRole:
79            if orientation == QtCore.Qt.Horizontal:
[b3e8629]80                return str(self.header_tooltips[section])
[ca7c6bd]81
[a95c44b]82        return QtGui.QStandardItemModel.headerData(self, section, orientation, role)
[13cd397]83
[4992ff2]84class FittingWidget(QtWidgets.QWidget, Ui_FittingWidgetUI):
[60af928]85    """
[f46f6dc]86    Main widget for selecting form and structure factor models
[60af928]87    """
[be8f4b0]88    constraintAddedSignal = QtCore.pyqtSignal(list)
89    newModelSignal = QtCore.pyqtSignal()
[3b3b40b]90    fittingFinishedSignal = QtCore.pyqtSignal(tuple)
91    batchFittingFinishedSignal = QtCore.pyqtSignal(tuple)
[dcabba7]92    Calc1DFinishedSignal = QtCore.pyqtSignal(dict)
93    Calc2DFinishedSignal = QtCore.pyqtSignal(dict)
[3b3b40b]94
[1bc27f1]95    def __init__(self, parent=None, data=None, tab_id=1):
[60af928]96
97        super(FittingWidget, self).__init__()
98
[86f88d1]99        # Necessary globals
[cbcdd2c]100        self.parent = parent
[2a432e7]101
102        # Which tab is this widget displayed in?
103        self.tab_id = tab_id
104
105        # Globals
106        self.initializeGlobals()
107
[d4dac80]108        # data index for the batch set
109        self.data_index = 0
110        # Main Data[12]D holders
111        # Logics.data contains a single Data1D/Data2D object
112        self._logic = [FittingLogic()]
113
[2a432e7]114        # Main GUI setup up
115        self.setupUi(self)
116        self.setWindowTitle("Fitting")
117
118        # Set up tabs widgets
119        self.initializeWidgets()
120
121        # Set up models and views
122        self.initializeModels()
123
124        # Defaults for the structure factors
125        self.setDefaultStructureCombo()
126
127        # Make structure factor and model CBs disabled
128        self.disableModelCombo()
129        self.disableStructureCombo()
130
131        # Generate the category list for display
132        self.initializeCategoryCombo()
133
134        # Initial control state
135        self.initializeControls()
136
[ebfe223]137        QtWidgets.QApplication.processEvents()
138
139        # Connect signals to controls
140        self.initializeSignals()
141
[d4dac80]142        if data is not None:
143            self.data = data
[2a432e7]144
[457d961]145        # New font to display angstrom symbol
146        new_font = 'font-family: -apple-system, "Helvetica Neue", "Ubuntu";'
147        self.label_17.setStyleSheet(new_font)
148        self.label_19.setStyleSheet(new_font)
149
[d4dac80]150    @property
151    def logic(self):
152        # make sure the logic contains at least one element
[8e2cd79]153        assert self._logic
[d4dac80]154        # logic connected to the currently shown data
155        return self._logic[self.data_index]
[2a432e7]156
157    @property
158    def data(self):
159        return self.logic.data
160
161    @data.setter
162    def data(self, value):
163        """ data setter """
[f7d14a1]164        # Value is either a list of indices for batch fitting or a simple index
165        # for standard fitting. Assure we have a list, regardless.
[ee18d33]166        if isinstance(value, list):
167            self.is_batch_fitting = True
168        else:
169            value = [value]
170
171        assert isinstance(value[0], QtGui.QStandardItem)
172
173        # Keep reference to all datasets for batch
174        self.all_data = value
[2a432e7]175
[d4dac80]176        # Create logics with data items
[f7d14a1]177        # Logics.data contains only a single Data1D/Data2D object
[87dfca4]178        if len(value) == 1:
179            # single data logic is already defined, update data on it
180            self._logic[0].data = GuiUtils.dataFromItem(value[0])
181        else:
182            # batch datasets
[54492dc]183            self._logic = []
[87dfca4]184            for data_item in value:
185                logic = FittingLogic(data=GuiUtils.dataFromItem(data_item))
186                self._logic.append(logic)
[2a432e7]187
188        # Overwrite data type descriptor
[339e22b]189
[2a432e7]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?
[8e2cd79]210        self.fit_started = False
[ded5e77]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
[70f4458]221        # Utility variables for multishell display
222        self._n_shells_row = 0
223        self._num_shell_params = 0
[cbcdd2c]224        # Dictionary of {model name: model class} for the current category
[5236449]225        self.models = {}
[f182f93]226        # Parameters to fit
[6dbff18]227        self.main_params_to_fit = []
228        self.poly_params_to_fit = []
229        self.magnet_params_to_fit = []
230
[180bd54]231        # Fit options
232        self.q_range_min = 0.005
233        self.q_range_max = 0.1
234        self.npts = 25
235        self.log_points = False
236        self.weighting = 0
[2add354]237        self.chi2 = None
[6011788]238        # Does the control support UNDO/REDO
239        # temporarily off
[2241130]240        self.undo_supported = False
241        self.page_stack = []
[377ade1]242        self.all_data = []
[3b3b40b]243        # custom plugin models
244        # {model.name:model}
245        self.custom_models = self.customModels()
[8222f171]246        # Polydisp widget table default index for function combobox
247        self.orig_poly_index = 3
[d4dac80]248        # copy of current kernel model
249        self.kernel_module_copy = None
[6011788]250
[66d4370]251        # dictionaries of current params
252        self.poly_params = {}
253        self.magnet_params = {}
254
[116dd4c1]255        # Page id for fitting
256        # To keep with previous SasView values, use 200 as the start offset
257        self.page_id = 200 + self.tab_id
258
[d48cc19]259        # Data for chosen model
260        self.model_data = None
261
[a9b568c]262        # Which shell is being currently displayed?
263        self.current_shell_displayed = 0
[0d13814]264        # List of all shell-unique parameters
265        self.shell_names = []
[b00414d]266
267        # Error column presence in parameter display
[f182f93]268        self.has_error_column = False
[aca8418]269        self.has_poly_error_column = False
[b00414d]270        self.has_magnet_error_column = False
[a9b568c]271
[cb90b65]272        # If the widget generated theory item, save it
273        self.theory_item = None
274
[2a432e7]275        # signal communicator
[cbcdd2c]276        self.communicate = self.parent.communicate
[60af928]277
[2a432e7]278    def initializeWidgets(self):
279        """
280        Initialize widgets for tabs
281        """
[180bd54]282        # Options widget
[4992ff2]283        layout = QtWidgets.QGridLayout()
[180bd54]284        self.options_widget = OptionsWidget(self, self.logic)
[1bc27f1]285        layout.addWidget(self.options_widget)
[180bd54]286        self.tabOptions.setLayout(layout)
287
[e1e3e09]288        # Smearing widget
[4992ff2]289        layout = QtWidgets.QGridLayout()
[e1e3e09]290        self.smearing_widget = SmearingWidget(self)
[1bc27f1]291        layout.addWidget(self.smearing_widget)
[180bd54]292        self.tabResolution.setLayout(layout)
[e1e3e09]293
[b1e36a3]294        # Define bold font for use in various controls
[1bc27f1]295        self.boldFont = QtGui.QFont()
[a0f5c36]296        self.boldFont.setBold(True)
297
298        # Set data label
[b1e36a3]299        self.label.setFont(self.boldFont)
300        self.label.setText("No data loaded")
301        self.lblFilename.setText("")
302
[6ff2eb3]303        # Magnetic angles explained in one picture
[4992ff2]304        self.magneticAnglesWidget = QtWidgets.QWidget()
305        labl = QtWidgets.QLabel(self.magneticAnglesWidget)
[6ff2eb3]306        pixmap = QtGui.QPixmap(GuiUtils.IMAGES_DIRECTORY_LOCATION + '/M_angles_pic.bmp')
307        labl.setPixmap(pixmap)
308        self.magneticAnglesWidget.setFixedSize(pixmap.width(), pixmap.height())
309
[2a432e7]310    def initializeModels(self):
311        """
312        Set up models and views
313        """
[86f88d1]314        # Set the main models
[cd31251]315        # We can't use a single model here, due to restrictions on flattening
316        # the model tree with subclassed QAbstractProxyModel...
[13cd397]317        self._model_model = ToolTippedItemModel()
318        self._poly_model = ToolTippedItemModel()
319        self._magnet_model = ToolTippedItemModel()
[60af928]320
321        # Param model displayed in param list
322        self.lstParams.setModel(self._model_model)
[5236449]323        self.readCategoryInfo()
[4992ff2]324
[60af928]325        self.model_parameters = None
[ad6b4e2]326
327        # Delegates for custom editing and display
328        self.lstParams.setItemDelegate(ModelViewDelegate(self))
329
[86f88d1]330        self.lstParams.setAlternatingRowColors(True)
[61a92d4]331        stylesheet = """
[457d961]332
333            QTreeView {
334                paint-alternating-row-colors-for-empty-area:0;
335            }
336
[97df8a9]337            QTreeView::item {
338                border: 1px;
[ebfe223]339                padding: 2px 1px;
[97df8a9]340            }
341
[2a432e7]342            QTreeView::item:hover {
343                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #e7effd, stop: 1 #cbdaf1);
344                border: 1px solid #bfcde4;
[61a92d4]345            }
[2a432e7]346
347            QTreeView::item:selected {
348                border: 1px solid #567dbc;
349            }
350
351            QTreeView::item:selected:active{
352                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6ea1f1, stop: 1 #567dbc);
353            }
354
355            QTreeView::item:selected:!active {
356                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6b9be8, stop: 1 #577fbf);
357            }
358           """
[61a92d4]359        self.lstParams.setStyleSheet(stylesheet)
[672b8ab]360        self.lstParams.setContextMenuPolicy(QtCore.Qt.CustomContextMenu)
[7fd20fc]361        self.lstParams.customContextMenuRequested.connect(self.showModelContextMenu)
[457d961]362        self.lstParams.setAttribute(QtCore.Qt.WA_MacShowFocusRect, False)
[60af928]363        # Poly model displayed in poly list
[811bec1]364        self.lstPoly.setModel(self._poly_model)
[60af928]365        self.setPolyModel()
366        self.setTableProperties(self.lstPoly)
[6011788]367        # Delegates for custom editing and display
[aca8418]368        self.lstPoly.setItemDelegate(PolyViewDelegate(self))
369        # Polydispersity function combo response
370        self.lstPoly.itemDelegate().combo_updated.connect(self.onPolyComboIndexChange)
[e43fc91]371        self.lstPoly.itemDelegate().filename_updated.connect(self.onPolyFilenameChange)
[60af928]372
373        # Magnetism model displayed in magnetism list
374        self.lstMagnetic.setModel(self._magnet_model)
375        self.setMagneticModel()
376        self.setTableProperties(self.lstMagnetic)
[b00414d]377        # Delegates for custom editing and display
378        self.lstMagnetic.setItemDelegate(MagnetismViewDelegate(self))
[60af928]379
[2a432e7]380    def initializeCategoryCombo(self):
381        """
382        Model category combo setup
383        """
[60af928]384        category_list = sorted(self.master_category_dict.keys())
[86f88d1]385        self.cbCategory.addItem(CATEGORY_DEFAULT)
[60af928]386        self.cbCategory.addItems(category_list)
[3d18691]387        if CATEGORY_STRUCTURE not in category_list:
388            self.cbCategory.addItem(CATEGORY_STRUCTURE)
[6f7f652]389        self.cbCategory.setCurrentIndex(0)
[60af928]390
[e1e3e09]391    def setEnablementOnDataLoad(self):
392        """
393        Enable/disable various UI elements based on data loaded
394        """
[cbcdd2c]395        # Tag along functionality
[b1e36a3]396        self.label.setText("Data loaded from: ")
[6b50296]397        if self.logic.data.filename:
398            self.lblFilename.setText(self.logic.data.filename)
399        else:
400            self.lblFilename.setText(self.logic.data.name)
[5236449]401        self.updateQRange()
[e1e3e09]402        # Switch off Data2D control
403        self.chk2DView.setEnabled(False)
404        self.chk2DView.setVisible(False)
[6ff2eb3]405        self.chkMagnetism.setEnabled(self.is2D)
[e20870bc]406        self.tabFitting.setTabEnabled(TAB_MAGNETISM, self.chkMagnetism.isChecked())
[ee18d33]407        # Combo box or label for file name"
408        if self.is_batch_fitting:
409            self.lblFilename.setVisible(False)
410            for dataitem in self.all_data:
411                filename = GuiUtils.dataFromItem(dataitem).filename
412                self.cbFileNames.addItem(filename)
413            self.cbFileNames.setVisible(True)
[7fd20fc]414            self.chkChainFit.setEnabled(True)
415            self.chkChainFit.setVisible(True)
[38eb433]416            # This panel is not designed to view individual fits, so disable plotting
417            self.cmdPlot.setVisible(False)
[180bd54]418        # Similarly on other tabs
419        self.options_widget.setEnablementOnDataLoad()
[f7d14a1]420        self.onSelectModel()
[e1e3e09]421        # Smearing tab
[9a7c81c]422        self.smearing_widget.updateData(self.data)
[60af928]423
[f46f6dc]424    def acceptsData(self):
425        """ Tells the caller this widget can accept new dataset """
[5236449]426        return not self.data_is_loaded
[f46f6dc]427
[6f7f652]428    def disableModelCombo(self):
[cbcdd2c]429        """ Disable the combobox """
[6f7f652]430        self.cbModel.setEnabled(False)
[b1e36a3]431        self.lblModel.setEnabled(False)
[6f7f652]432
433    def enableModelCombo(self):
[cbcdd2c]434        """ Enable the combobox """
[6f7f652]435        self.cbModel.setEnabled(True)
[b1e36a3]436        self.lblModel.setEnabled(True)
[6f7f652]437
438    def disableStructureCombo(self):
[cbcdd2c]439        """ Disable the combobox """
[6f7f652]440        self.cbStructureFactor.setEnabled(False)
[b1e36a3]441        self.lblStructure.setEnabled(False)
[6f7f652]442
443    def enableStructureCombo(self):
[cbcdd2c]444        """ Enable the combobox """
[6f7f652]445        self.cbStructureFactor.setEnabled(True)
[b1e36a3]446        self.lblStructure.setEnabled(True)
[6f7f652]447
[0268aed]448    def togglePoly(self, isChecked):
[454670d]449        """ Enable/disable the polydispersity tab """
[0268aed]450        self.tabFitting.setTabEnabled(TAB_POLY, isChecked)
451
452    def toggleMagnetism(self, isChecked):
[454670d]453        """ Enable/disable the magnetism tab """
[0268aed]454        self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked)
455
[7fd20fc]456    def toggleChainFit(self, isChecked):
457        """ Enable/disable chain fitting """
458        self.is_chain_fitting = isChecked
459
[0268aed]460    def toggle2D(self, isChecked):
[454670d]461        """ Enable/disable the controls dependent on 1D/2D data instance """
[0268aed]462        self.chkMagnetism.setEnabled(isChecked)
463        self.is2D = isChecked
[1970780]464        # Reload the current model
[e1e3e09]465        if self.kernel_module:
466            self.onSelectModel()
[5236449]467
[8b480d27]468    @classmethod
469    def customModels(cls):
[3b3b40b]470        """ Reads in file names in the custom plugin directory """
471        return ModelUtilities._find_models()
472
[86f88d1]473    def initializeControls(self):
474        """
475        Set initial control enablement
476        """
[ee18d33]477        self.cbFileNames.setVisible(False)
[86f88d1]478        self.cmdFit.setEnabled(False)
[d48cc19]479        self.cmdPlot.setEnabled(False)
[180bd54]480        self.options_widget.cmdComputePoints.setVisible(False) # probably redundant
[86f88d1]481        self.chkPolydispersity.setEnabled(True)
482        self.chkPolydispersity.setCheckState(False)
483        self.chk2DView.setEnabled(True)
484        self.chk2DView.setCheckState(False)
485        self.chkMagnetism.setEnabled(False)
486        self.chkMagnetism.setCheckState(False)
[7fd20fc]487        self.chkChainFit.setEnabled(False)
488        self.chkChainFit.setVisible(False)
[cbcdd2c]489        # Tabs
[86f88d1]490        self.tabFitting.setTabEnabled(TAB_POLY, False)
491        self.tabFitting.setTabEnabled(TAB_MAGNETISM, False)
492        self.lblChi2Value.setText("---")
[e1e3e09]493        # Smearing tab
[9a7c81c]494        self.smearing_widget.updateData(self.data)
[180bd54]495        # Line edits in the option tab
496        self.updateQRange()
[86f88d1]497
498    def initializeSignals(self):
499        """
500        Connect GUI element signals
501        """
[cbcdd2c]502        # Comboboxes
[cd31251]503        self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor)
504        self.cbCategory.currentIndexChanged.connect(self.onSelectCategory)
505        self.cbModel.currentIndexChanged.connect(self.onSelectModel)
[ee18d33]506        self.cbFileNames.currentIndexChanged.connect(self.onSelectBatchFilename)
[cbcdd2c]507        # Checkboxes
[86f88d1]508        self.chk2DView.toggled.connect(self.toggle2D)
509        self.chkPolydispersity.toggled.connect(self.togglePoly)
510        self.chkMagnetism.toggled.connect(self.toggleMagnetism)
[7fd20fc]511        self.chkChainFit.toggled.connect(self.toggleChainFit)
[cbcdd2c]512        # Buttons
[5236449]513        self.cmdFit.clicked.connect(self.onFit)
[cbcdd2c]514        self.cmdPlot.clicked.connect(self.onPlot)
[2add354]515        self.cmdHelp.clicked.connect(self.onHelp)
[6ff2eb3]516        self.cmdMagneticDisplay.clicked.connect(self.onDisplayMagneticAngles)
[cbcdd2c]517
518        # Respond to change in parameters from the UI
[b00414d]519        self._model_model.itemChanged.connect(self.onMainParamsChange)
[eae226b]520        #self.constraintAddedSignal.connect(self.modifyViewOnConstraint)
[cd31251]521        self._poly_model.itemChanged.connect(self.onPolyModelChange)
[b00414d]522        self._magnet_model.itemChanged.connect(self.onMagnetModelChange)
[3b3b40b]523        self.lstParams.selectionModel().selectionChanged.connect(self.onSelectionChanged)
524
525        # Local signals
526        self.batchFittingFinishedSignal.connect(self.batchFitComplete)
527        self.fittingFinishedSignal.connect(self.fitComplete)
[d4dac80]528        self.Calc1DFinishedSignal.connect(self.complete1D)
529        self.Calc2DFinishedSignal.connect(self.complete2D)
[86f88d1]530
[180bd54]531        # Signals from separate tabs asking for replot
532        self.options_widget.plot_signal.connect(self.onOptionsUpdate)
533
[3b3b40b]534        # Signals from other widgets
535        self.communicate.customModelDirectoryChanged.connect(self.onCustomModelChange)
[57be490]536        self.communicate.saveAnalysisSignal.connect(self.savePageState)
[9a7c81c]537        self.smearing_widget.smearingChangedSignal.connect(self.onSmearingOptionsUpdate)
[8e2cd79]538        self.communicate.copyFitParamsSignal.connect(self.onParameterCopy)
539        self.communicate.pasteFitParamsSignal.connect(self.onParameterPaste)
[3b3b40b]540
[3d18691]541        # Communicator signal
542        self.communicate.updateModelCategoriesSignal.connect(self.onCategoriesChanged)
543
[d3c0b95]544    def modelName(self):
545        """
546        Returns model name, by default M<tab#>, e.g. M1, M2
547        """
548        return "M%i" % self.tab_id
549
550    def nameForFittedData(self, name):
551        """
552        Generate name for the current fit
553        """
554        if self.is2D:
555            name += "2d"
556        name = "%s [%s]" % (self.modelName(), name)
557        return name
[7fd20fc]558
[d3c0b95]559    def showModelContextMenu(self, position):
560        """
561        Show context specific menu in the parameter table.
562        When clicked on parameter(s): fitting/constraints options
563        When clicked on white space: model description
564        """
[50cafe7]565        rows = [s.row() for s in self.lstParams.selectionModel().selectedRows()
566                if self.isCheckable(s.row())]
[7fd20fc]567        menu = self.showModelDescription() if not rows else self.modelContextMenu(rows)
568        try:
569            menu.exec_(self.lstParams.viewport().mapToGlobal(position))
570        except AttributeError as ex:
571            logging.error("Error generating context menu: %s" % ex)
572        return
573
574    def modelContextMenu(self, rows):
[eae226b]575        """
[d3c0b95]576        Create context menu for the parameter selection
[eae226b]577        """
[7fd20fc]578        menu = QtWidgets.QMenu()
[eae226b]579        num_rows = len(rows)
[63319b0]580        if num_rows < 1:
581            return menu
[7fd20fc]582        # Select for fitting
[8e2cd79]583        param_string = "parameter " if num_rows == 1 else "parameters "
584        to_string = "to its current value" if num_rows == 1 else "to their current values"
[d3c0b95]585        has_constraints = any([self.rowHasConstraint(i) for i in rows])
[eae226b]586
[7fd20fc]587        self.actionSelect = QtWidgets.QAction(self)
588        self.actionSelect.setObjectName("actionSelect")
[eae226b]589        self.actionSelect.setText(QtCore.QCoreApplication.translate("self", "Select "+param_string+" for fitting"))
[7fd20fc]590        # Unselect from fitting
591        self.actionDeselect = QtWidgets.QAction(self)
592        self.actionDeselect.setObjectName("actionDeselect")
[eae226b]593        self.actionDeselect.setText(QtCore.QCoreApplication.translate("self", "De-select "+param_string+" from fitting"))
[7fd20fc]594
595        self.actionConstrain = QtWidgets.QAction(self)
596        self.actionConstrain.setObjectName("actionConstrain")
[eae226b]597        self.actionConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain "+param_string + to_string))
598
599        self.actionRemoveConstraint = QtWidgets.QAction(self)
600        self.actionRemoveConstraint.setObjectName("actionRemoveConstrain")
601        self.actionRemoveConstraint.setText(QtCore.QCoreApplication.translate("self", "Remove constraint"))
[7fd20fc]602
603        self.actionMultiConstrain = QtWidgets.QAction(self)
604        self.actionMultiConstrain.setObjectName("actionMultiConstrain")
605        self.actionMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain selected parameters to their current values"))
606
607        self.actionMutualMultiConstrain = QtWidgets.QAction(self)
608        self.actionMutualMultiConstrain.setObjectName("actionMutualMultiConstrain")
609        self.actionMutualMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Mutual constrain of selected parameters..."))
610
611        menu.addAction(self.actionSelect)
612        menu.addAction(self.actionDeselect)
613        menu.addSeparator()
614
[d3c0b95]615        if has_constraints:
[eae226b]616            menu.addAction(self.actionRemoveConstraint)
[d3c0b95]617            #if num_rows == 1:
618            #    menu.addAction(self.actionEditConstraint)
[eae226b]619        else:
[7fd20fc]620            menu.addAction(self.actionConstrain)
[d3c0b95]621            if num_rows == 2:
622                menu.addAction(self.actionMutualMultiConstrain)
[7fd20fc]623
624        # Define the callbacks
[0595bb7]625        self.actionConstrain.triggered.connect(self.addSimpleConstraint)
[eae226b]626        self.actionRemoveConstraint.triggered.connect(self.deleteConstraint)
[0595bb7]627        self.actionMutualMultiConstrain.triggered.connect(self.showMultiConstraint)
[7fd20fc]628        self.actionSelect.triggered.connect(self.selectParameters)
629        self.actionDeselect.triggered.connect(self.deselectParameters)
630        return menu
631
[0595bb7]632    def showMultiConstraint(self):
[7fd20fc]633        """
634        Show the constraint widget and receive the expression
635        """
[0595bb7]636        selected_rows = self.lstParams.selectionModel().selectedRows()
[6e58f2f]637        # There have to be only two rows selected. The caller takes care of that
638        # but let's check the correctness.
[8e2cd79]639        assert len(selected_rows) == 2
[0595bb7]640
641        params_list = [s.data() for s in selected_rows]
[eae226b]642        # Create and display the widget for param1 and param2
[7fd20fc]643        mc_widget = MultiConstraint(self, params=params_list)
[eae226b]644        if mc_widget.exec_() != QtWidgets.QDialog.Accepted:
645            return
646
[0595bb7]647        constraint = Constraint()
648        c_text = mc_widget.txtConstraint.text()
649
[eae226b]650        # widget.params[0] is the parameter we're constraining
651        constraint.param = mc_widget.params[0]
[3b3b40b]652        # parameter should have the model name preamble
[06234fc]653        model_name = self.kernel_module.name
[3b3b40b]654        # param_used is the parameter we're using in constraining function
655        param_used = mc_widget.params[1]
656        # Replace param_used with model_name.param_used
657        updated_param_used = model_name + "." + param_used
658        new_func = c_text.replace(param_used, updated_param_used)
659        constraint.func = new_func
[d3c0b95]660        # Which row is the constrained parameter in?
[2d466e4]661        row = self.getRowFromName(constraint.param)
[eae226b]662
[6e58f2f]663        # Create a new item and add the Constraint object as a child
664        self.addConstraintToRow(constraint=constraint, row=row)
[eae226b]665
[2d466e4]666    def getRowFromName(self, name):
[eae226b]667        """
[d3c0b95]668        Given parameter name get the row number in self._model_model
[eae226b]669        """
670        for row in range(self._model_model.rowCount()):
671            row_name = self._model_model.item(row).text()
672            if row_name == name:
673                return row
674        return None
675
[2d466e4]676    def getParamNames(self):
677        """
678        Return list of all parameters for the current model
679        """
[00b7ddf0]680        return [self._model_model.item(row).text()
681                for row in range(self._model_model.rowCount())
682                if self.isCheckable(row)]
[2d466e4]683
[eae226b]684    def modifyViewOnRow(self, row, font=None, brush=None):
685        """
686        Chage how the given row of the main model is shown
687        """
688        fields_enabled = False
689        if font is None:
690            font = QtGui.QFont()
691            fields_enabled = True
692        if brush is None:
693            brush = QtGui.QBrush()
694            fields_enabled = True
[0595bb7]695        self._model_model.blockSignals(True)
696        # Modify font and foreground of affected rows
697        for column in range(0, self._model_model.columnCount()):
698            self._model_model.item(row, column).setForeground(brush)
699            self._model_model.item(row, column).setFont(font)
[eae226b]700            self._model_model.item(row, column).setEditable(fields_enabled)
[0595bb7]701        self._model_model.blockSignals(False)
702
[c5a2722f]703    def addConstraintToRow(self, constraint=None, row=0):
704        """
705        Adds the constraint object to requested row
706        """
707        # Create a new item and add the Constraint object as a child
[8e2cd79]708        assert isinstance(constraint, Constraint)
709        assert 0 <= row <= self._model_model.rowCount()
[00b7ddf0]710        assert self.isCheckable(row)
[c5a2722f]711
712        item = QtGui.QStandardItem()
713        item.setData(constraint)
714        self._model_model.item(row, 1).setChild(0, item)
715        # Set min/max to the value constrained
716        self.constraintAddedSignal.emit([row])
717        # Show visual hints for the constraint
718        font = QtGui.QFont()
719        font.setItalic(True)
720        brush = QtGui.QBrush(QtGui.QColor('blue'))
721        self.modifyViewOnRow(row, font=font, brush=brush)
722        self.communicate.statusBarUpdateSignal.emit('Constraint added')
723
[0595bb7]724    def addSimpleConstraint(self):
[7fd20fc]725        """
726        Adds a constraint on a single parameter.
[2add354]727        """
[d3c0b95]728        min_col = self.lstParams.itemDelegate().param_min
729        max_col = self.lstParams.itemDelegate().param_max
[0595bb7]730        for row in self.selectedParameters():
[00b7ddf0]731            assert(self.isCheckable(row))
[0595bb7]732            param = self._model_model.item(row, 0).text()
733            value = self._model_model.item(row, 1).text()
[235d766]734            min_t = self._model_model.item(row, min_col).text()
735            max_t = self._model_model.item(row, max_col).text()
[eae226b]736            # Create a Constraint object
[235d766]737            constraint = Constraint(param=param, value=value, min=min_t, max=max_t)
[eae226b]738            # Create a new item and add the Constraint object as a child
[0595bb7]739            item = QtGui.QStandardItem()
740            item.setData(constraint)
741            self._model_model.item(row, 1).setChild(0, item)
[235d766]742            # Assumed correctness from the validator
743            value = float(value)
744            # BUMPS calculates log(max-min) without any checks, so let's assign minor range
745            min_v = value - (value/10000.0)
746            max_v = value + (value/10000.0)
[eae226b]747            # Set min/max to the value constrained
[235d766]748            self._model_model.item(row, min_col).setText(str(min_v))
749            self._model_model.item(row, max_col).setText(str(max_v))
[be8f4b0]750            self.constraintAddedSignal.emit([row])
[eae226b]751            # Show visual hints for the constraint
752            font = QtGui.QFont()
753            font.setItalic(True)
754            brush = QtGui.QBrush(QtGui.QColor('blue'))
755            self.modifyViewOnRow(row, font=font, brush=brush)
[7fd20fc]756        self.communicate.statusBarUpdateSignal.emit('Constraint added')
757
[eae226b]758    def deleteConstraint(self):
759        """
760        Delete constraints from selected parameters.
761        """
[8e2cd79]762        params = [s.data() for s in self.lstParams.selectionModel().selectedRows()
[3b3b40b]763                   if self.isCheckable(s.row())]
764        for param in params:
765            self.deleteConstraintOnParameter(param=param)
[be8f4b0]766
767    def deleteConstraintOnParameter(self, param=None):
768        """
769        Delete the constraint on model parameter 'param'
770        """
[d3c0b95]771        min_col = self.lstParams.itemDelegate().param_min
772        max_col = self.lstParams.itemDelegate().param_max
[be8f4b0]773        for row in range(self._model_model.rowCount()):
[00b7ddf0]774            if not self.isCheckable(row):
775                continue
[3b3b40b]776            if not self.rowHasConstraint(row):
777                continue
[eae226b]778            # Get the Constraint object from of the model item
779            item = self._model_model.item(row, 1)
[3b3b40b]780            constraint = self.getConstraintForRow(row)
[d3c0b95]781            if constraint is None:
782                continue
783            if not isinstance(constraint, Constraint):
784                continue
[be8f4b0]785            if param and constraint.param != param:
786                continue
787            # Now we got the right row. Delete the constraint and clean up
[eae226b]788            # Retrieve old values and put them on the model
789            if constraint.min is not None:
[d3c0b95]790                self._model_model.item(row, min_col).setText(constraint.min)
[eae226b]791            if constraint.max is not None:
[d3c0b95]792                self._model_model.item(row, max_col).setText(constraint.max)
[eae226b]793            # Remove constraint item
794            item.removeRow(0)
[be8f4b0]795            self.constraintAddedSignal.emit([row])
[eae226b]796            self.modifyViewOnRow(row)
[be8f4b0]797
[eae226b]798        self.communicate.statusBarUpdateSignal.emit('Constraint removed')
[be8f4b0]799
[d3c0b95]800    def getConstraintForRow(self, row):
801        """
802        For the given row, return its constraint, if any
803        """
[00b7ddf0]804        if self.isCheckable(row):
[d3c0b95]805            item = self._model_model.item(row, 1)
[00b7ddf0]806            try:
807                return item.child(0).data()
808            except AttributeError:
809                # return none when no constraints
810                pass
811        return None
[d3c0b95]812
[eae226b]813    def rowHasConstraint(self, row):
814        """
815        Finds out if row of the main model has a constraint child
816        """
[00b7ddf0]817        if self.isCheckable(row):
818            item = self._model_model.item(row, 1)
819            if item.hasChildren():
820                c = item.child(0).data()
821                if isinstance(c, Constraint):
822                    return True
[be8f4b0]823        return False
[116dd4c1]824
825    def rowHasActiveConstraint(self, row):
826        """
827        Finds out if row of the main model has an active constraint child
828        """
[00b7ddf0]829        if self.isCheckable(row):
830            item = self._model_model.item(row, 1)
831            if item.hasChildren():
832                c = item.child(0).data()
833                if isinstance(c, Constraint) and c.active:
834                    return True
[235d766]835        return False
836
837    def rowHasActiveComplexConstraint(self, row):
838        """
839        Finds out if row of the main model has an active, nontrivial constraint child
840        """
[00b7ddf0]841        if self.isCheckable(row):
842            item = self._model_model.item(row, 1)
843            if item.hasChildren():
844                c = item.child(0).data()
845                if isinstance(c, Constraint) and c.func and c.active:
846                    return True
[116dd4c1]847        return False
[eae226b]848
[7fd20fc]849    def selectParameters(self):
850        """
[d3c0b95]851        Selected parameter is chosen for fitting
[7fd20fc]852        """
853        status = QtCore.Qt.Checked
854        self.setParameterSelection(status)
855
856    def deselectParameters(self):
857        """
858        Selected parameters are removed for fitting
859        """
860        status = QtCore.Qt.Unchecked
861        self.setParameterSelection(status)
862
863    def selectedParameters(self):
864        """ Returns list of selected (highlighted) parameters """
[d3c0b95]865        return [s.row() for s in self.lstParams.selectionModel().selectedRows()
866                if self.isCheckable(s.row())]
[7fd20fc]867
868    def setParameterSelection(self, status=QtCore.Qt.Unchecked):
869        """
870        Selected parameters are chosen for fitting
871        """
872        # Convert to proper indices and set requested enablement
873        for row in self.selectedParameters():
874            self._model_model.item(row, 0).setCheckState(status)
[d3c0b95]875
876    def getConstraintsForModel(self):
877        """
878        Return a list of tuples. Each tuple contains constraints mapped as
879        ('constrained parameter', 'function to constrain')
880        e.g. [('sld','5*sld_solvent')]
881        """
882        param_number = self._model_model.rowCount()
883        params = [(self._model_model.item(s, 0).text(),
[c5a2722f]884                    self._model_model.item(s, 1).child(0).data().func)
[116dd4c1]885                    for s in range(param_number) if self.rowHasActiveConstraint(s)]
[d3c0b95]886        return params
[7fd20fc]887
[235d766]888    def getComplexConstraintsForModel(self):
889        """
890        Return a list of tuples. Each tuple contains constraints mapped as
891        ('constrained parameter', 'function to constrain')
[06234fc]892        e.g. [('sld','5*M2.sld_solvent')].
[235d766]893        Only for constraints with defined VALUE
894        """
895        param_number = self._model_model.rowCount()
896        params = [(self._model_model.item(s, 0).text(),
897                    self._model_model.item(s, 1).child(0).data().func)
898                    for s in range(param_number) if self.rowHasActiveComplexConstraint(s)]
899        return params
900
[ba01ad1]901    def getConstraintObjectsForModel(self):
902        """
903        Returns Constraint objects present on the whole model
904        """
905        param_number = self._model_model.rowCount()
906        constraints = [self._model_model.item(s, 1).child(0).data()
907                       for s in range(param_number) if self.rowHasConstraint(s)]
908
909        return constraints
910
[3b3b40b]911    def getConstraintsForFitting(self):
912        """
913        Return a list of constraints in format ready for use in fiting
914        """
915        # Get constraints
916        constraints = self.getComplexConstraintsForModel()
917        # See if there are any constraints across models
918        multi_constraints = [cons for cons in constraints if self.isConstraintMultimodel(cons[1])]
919
920        if multi_constraints:
921            # Let users choose what to do
922            msg = "The current fit contains constraints relying on other fit pages.\n"
923            msg += "Parameters with those constraints are:\n" +\
924                '\n'.join([cons[0] for cons in multi_constraints])
925            msg += "\n\nWould you like to remove these constraints or cancel fitting?"
926            msgbox = QtWidgets.QMessageBox(self)
927            msgbox.setIcon(QtWidgets.QMessageBox.Warning)
928            msgbox.setText(msg)
929            msgbox.setWindowTitle("Existing Constraints")
930            # custom buttons
931            button_remove = QtWidgets.QPushButton("Remove")
932            msgbox.addButton(button_remove, QtWidgets.QMessageBox.YesRole)
933            button_cancel = QtWidgets.QPushButton("Cancel")
934            msgbox.addButton(button_cancel, QtWidgets.QMessageBox.RejectRole)
935            retval = msgbox.exec_()
936            if retval == QtWidgets.QMessageBox.RejectRole:
937                # cancel fit
938                raise ValueError("Fitting cancelled")
939            else:
940                # remove constraint
941                for cons in multi_constraints:
942                    self.deleteConstraintOnParameter(param=cons[0])
943                # re-read the constraints
944                constraints = self.getComplexConstraintsForModel()
945
946        return constraints
947
[7fd20fc]948    def showModelDescription(self):
949        """
950        Creates a window with model description, when right clicked in the treeview
[2add354]951        """
952        msg = 'Model description:\n'
953        if self.kernel_module is not None:
954            if str(self.kernel_module.description).rstrip().lstrip() == '':
955                msg += "Sorry, no information is available for this model."
956            else:
957                msg += self.kernel_module.description + '\n'
958        else:
959            msg += "You must select a model to get information on this"
960
[4992ff2]961        menu = QtWidgets.QMenu()
962        label = QtWidgets.QLabel(msg)
[d6b8a1d]963        action = QtWidgets.QWidgetAction(self)
[672b8ab]964        action.setDefaultWidget(label)
965        menu.addAction(action)
[7fd20fc]966        return menu
[2add354]967
[0268aed]968    def onSelectModel(self):
[cbcdd2c]969        """
[0268aed]970        Respond to select Model from list event
[cbcdd2c]971        """
[d6b8a1d]972        model = self.cbModel.currentText()
[0268aed]973
[f4aa7a8]974        # Assure the control is active
975        if not self.cbModel.isEnabled():
976            return
977        # Empty combobox forced to be read
[b3e8629]978        if not model:
979            return
[0268aed]980
[f182f93]981        # Reset parameters to fit
[6dbff18]982        self.resetParametersToFit()
[d7ff531]983        self.has_error_column = False
[aca8418]984        self.has_poly_error_column = False
[f182f93]985
[605d944]986        structure = None
987        if self.cbStructureFactor.isEnabled():
988            structure = str(self.cbStructureFactor.currentText())
989        self.respondToModelStructure(model=model, structure_factor=structure)
[fd1ae6d1]990
[ee18d33]991    def onSelectBatchFilename(self, data_index):
992        """
993        Update the logic based on the selected file in batch fitting
994        """
[d4dac80]995        self.data_index = data_index
[ee18d33]996        self.updateQRange()
997
[fd1ae6d1]998    def onSelectStructureFactor(self):
999        """
1000        Select Structure Factor from list
1001        """
1002        model = str(self.cbModel.currentText())
1003        category = str(self.cbCategory.currentText())
1004        structure = str(self.cbStructureFactor.currentText())
1005        if category == CATEGORY_STRUCTURE:
1006            model = None
[e11106e]1007
1008        # Reset parameters to fit
[6dbff18]1009        self.resetParametersToFit()
[e11106e]1010        self.has_error_column = False
1011        self.has_poly_error_column = False
1012
[fd1ae6d1]1013        self.respondToModelStructure(model=model, structure_factor=structure)
1014
[6dbff18]1015    def resetParametersToFit(self):
1016        """
1017        Clears the list of parameters to be fitted
1018        """
1019        self.main_params_to_fit = []
1020        self.poly_params_to_fit = []
1021        self.magnet_params_to_fit = []
1022
[3b3b40b]1023    def onCustomModelChange(self):
1024        """
1025        Reload the custom model combobox
1026        """
1027        self.custom_models = self.customModels()
1028        self.readCustomCategoryInfo()
1029        # See if we need to update the combo in-place
1030        if self.cbCategory.currentText() != CATEGORY_CUSTOM: return
1031
1032        current_text = self.cbModel.currentText()
1033        self.cbModel.blockSignals(True)
1034        self.cbModel.clear()
1035        self.cbModel.blockSignals(False)
1036        self.enableModelCombo()
1037        self.disableStructureCombo()
1038        # Retrieve the list of models
1039        model_list = self.master_category_dict[CATEGORY_CUSTOM]
1040        # Populate the models combobox
1041        self.cbModel.addItems(sorted([model for (model, _) in model_list]))
1042        new_index = self.cbModel.findText(current_text)
1043        if new_index != -1:
1044            self.cbModel.setCurrentIndex(self.cbModel.findText(current_text))
1045
1046    def onSelectionChanged(self):
1047        """
1048        React to parameter selection
1049        """
1050        rows = self.lstParams.selectionModel().selectedRows()
1051        # Clean previous messages
1052        self.communicate.statusBarUpdateSignal.emit("")
1053        if len(rows) == 1:
1054            # Show constraint, if present
1055            row = rows[0].row()
1056            if self.rowHasConstraint(row):
1057                func = self.getConstraintForRow(row).func
1058                if func is not None:
1059                    self.communicate.statusBarUpdateSignal.emit("Active constrain: "+func)
1060
[47d7d2d]1061    def replaceConstraintName(self, old_name, new_name=""):
1062        """
1063        Replace names of models in defined constraints
1064        """
1065        param_number = self._model_model.rowCount()
1066        # loop over parameters
1067        for row in range(param_number):
1068            if self.rowHasConstraint(row):
1069                func = self._model_model.item(row, 1).child(0).data().func
1070                if old_name in func:
1071                    new_func = func.replace(old_name, new_name)
1072                    self._model_model.item(row, 1).child(0).data().func = new_func
1073
[3b3b40b]1074    def isConstraintMultimodel(self, constraint):
1075        """
1076        Check if the constraint function text contains current model name
1077        """
1078        current_model_name = self.kernel_module.name
1079        if current_model_name in constraint:
1080            return False
1081        else:
1082            return True
1083
[9c0ce68]1084    def updateData(self):
1085        """
1086        Helper function for recalculation of data used in plotting
1087        """
1088        # Update the chart
[0268aed]1089        if self.data_is_loaded:
[d48cc19]1090            self.cmdPlot.setText("Show Plot")
[0268aed]1091            self.calculateQGridForModel()
1092        else:
[d48cc19]1093            self.cmdPlot.setText("Calculate")
[0268aed]1094            # Create default datasets if no data passed
1095            self.createDefaultDataset()
1096
[9c0ce68]1097    def respondToModelStructure(self, model=None, structure_factor=None):
1098        # Set enablement on calculate/plot
1099        self.cmdPlot.setEnabled(True)
1100
1101        # kernel parameters -> model_model
1102        self.SASModelToQModel(model, structure_factor)
1103
1104        # Update plot
1105        self.updateData()
1106
[6011788]1107        # Update state stack
[00b3b40]1108        self.updateUndo()
[2add354]1109
[be8f4b0]1110        # Let others know
1111        self.newModelSignal.emit()
1112
[cd31251]1113    def onSelectCategory(self):
[60af928]1114        """
1115        Select Category from list
1116        """
[d6b8a1d]1117        category = self.cbCategory.currentText()
[86f88d1]1118        # Check if the user chose "Choose category entry"
[4d457df]1119        if category == CATEGORY_DEFAULT:
[86f88d1]1120            # if the previous category was not the default, keep it.
1121            # Otherwise, just return
1122            if self._previous_category_index != 0:
[351b53e]1123                # We need to block signals, or else state changes on perceived unchanged conditions
1124                self.cbCategory.blockSignals(True)
[86f88d1]1125                self.cbCategory.setCurrentIndex(self._previous_category_index)
[351b53e]1126                self.cbCategory.blockSignals(False)
[86f88d1]1127            return
1128
[4d457df]1129        if category == CATEGORY_STRUCTURE:
[6f7f652]1130            self.disableModelCombo()
1131            self.enableStructureCombo()
[f4aa7a8]1132            # set the index to 0
1133            self.cbStructureFactor.setCurrentIndex(0)
1134            self.model_parameters = None
[29eb947]1135            self._model_model.clear()
[6f7f652]1136            return
[8b480d27]1137
[cbcdd2c]1138        # Safely clear and enable the model combo
[6f7f652]1139        self.cbModel.blockSignals(True)
1140        self.cbModel.clear()
1141        self.cbModel.blockSignals(False)
1142        self.enableModelCombo()
1143        self.disableStructureCombo()
1144
[86f88d1]1145        self._previous_category_index = self.cbCategory.currentIndex()
[cbcdd2c]1146        # Retrieve the list of models
[4d457df]1147        model_list = self.master_category_dict[category]
[cbcdd2c]1148        # Populate the models combobox
[b1e36a3]1149        self.cbModel.addItems(sorted([model for (model, _) in model_list]))
[4d457df]1150
[0268aed]1151    def onPolyModelChange(self, item):
1152        """
1153        Callback method for updating the main model and sasmodel
1154        parameters with the GUI values in the polydispersity view
1155        """
1156        model_column = item.column()
1157        model_row = item.row()
1158        name_index = self._poly_model.index(model_row, 0)
[287d356]1159        parameter_name = str(name_index.data()) # "distribution of sld" etc.
1160        if "istribution of" in parameter_name:
[358b39d]1161            # just the last word
1162            parameter_name = parameter_name.rsplit()[-1]
[c1e380e]1163
[906e0c7]1164        delegate = self.lstPoly.itemDelegate()
1165
[06b0138]1166        # Extract changed value.
[906e0c7]1167        if model_column == delegate.poly_parameter:
[00b3b40]1168            # Is the parameter checked for fitting?
[0268aed]1169            value = item.checkState()
[1643d8ed]1170            parameter_name = parameter_name + '.width'
[c1e380e]1171            if value == QtCore.Qt.Checked:
[6dbff18]1172                self.poly_params_to_fit.append(parameter_name)
[c1e380e]1173            else:
[6dbff18]1174                if parameter_name in self.poly_params_to_fit:
1175                    self.poly_params_to_fit.remove(parameter_name)
1176            self.cmdFit.setEnabled(self.haveParamsToFit())
[906e0c7]1177
1178        elif model_column in [delegate.poly_min, delegate.poly_max]:
[aca8418]1179            try:
[fbfc488]1180                value = GuiUtils.toDouble(item.text())
[0261bc1]1181            except TypeError:
[aca8418]1182                # Can't be converted properly, bring back the old value and exit
1183                return
1184
1185            current_details = self.kernel_module.details[parameter_name]
[906e0c7]1186            if self.has_poly_error_column:
1187                # err column changes the indexing
1188                current_details[model_column-2] = value
1189            else:
1190                current_details[model_column-1] = value
1191
1192        elif model_column == delegate.poly_function:
[919d47c]1193            # name of the function - just pass
[906e0c7]1194            pass
1195
[0268aed]1196        else:
1197            try:
[fbfc488]1198                value = GuiUtils.toDouble(item.text())
[0261bc1]1199            except TypeError:
[0268aed]1200                # Can't be converted properly, bring back the old value and exit
1201                return
1202
[aca8418]1203            # Update the sasmodel
1204            # PD[ratio] -> width, npts -> npts, nsigs -> nsigmas
[66d4370]1205            #self.kernel_module.setParam(parameter_name + '.' + delegate.columnDict()[model_column], value)
1206            key = parameter_name + '.' + delegate.columnDict()[model_column]
1207            self.poly_params[key] = value
[0268aed]1208
[9c0ce68]1209            # Update plot
1210            self.updateData()
1211
[906e0c7]1212        # update in param model
1213        if model_column in [delegate.poly_pd, delegate.poly_error, delegate.poly_min, delegate.poly_max]:
1214            row = self.getRowFromName(parameter_name)
1215            param_item = self._model_model.item(row)
[73665a8]1216            self._model_model.blockSignals(True)
[906e0c7]1217            param_item.child(0).child(0, model_column).setText(item.text())
[73665a8]1218            self._model_model.blockSignals(False)
[906e0c7]1219
[b00414d]1220    def onMagnetModelChange(self, item):
1221        """
1222        Callback method for updating the sasmodel magnetic parameters with the GUI values
1223        """
1224        model_column = item.column()
1225        model_row = item.row()
1226        name_index = self._magnet_model.index(model_row, 0)
[fbfc488]1227        parameter_name = str(self._magnet_model.data(name_index))
[b00414d]1228
1229        if model_column == 0:
1230            value = item.checkState()
1231            if value == QtCore.Qt.Checked:
[6dbff18]1232                self.magnet_params_to_fit.append(parameter_name)
[b00414d]1233            else:
[6dbff18]1234                if parameter_name in self.magnet_params_to_fit:
1235                    self.magnet_params_to_fit.remove(parameter_name)
1236            self.cmdFit.setEnabled(self.haveParamsToFit())
[b00414d]1237            # Update state stack
1238            self.updateUndo()
1239            return
1240
1241        # Extract changed value.
1242        try:
[fbfc488]1243            value = GuiUtils.toDouble(item.text())
[0261bc1]1244        except TypeError:
[b00414d]1245            # Unparsable field
1246            return
[66d4370]1247        delegate = self.lstMagnetic.itemDelegate()
1248
1249        if model_column > 1:
1250            if model_column == delegate.mag_min:
1251                pos = 1
1252            elif model_column == delegate.mag_max:
1253                pos = 2
1254            elif model_column == delegate.mag_unit:
1255                pos = 0
1256            else:
1257                raise AttributeError("Wrong column in magnetism table.")
1258            # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf]
1259            self.kernel_module.details[parameter_name][pos] = value
1260        else:
1261            self.magnet_params[parameter_name] = value
1262            #self.kernel_module.setParam(parameter_name) = value
1263            # Force the chart update when actual parameters changed
[b00414d]1264            self.recalculatePlotData()
1265
1266        # Update state stack
1267        self.updateUndo()
1268
[2add354]1269    def onHelp(self):
1270        """
1271        Show the "Fitting" section of help
1272        """
[aed0532]1273        tree_location = "/user/qtgui/Perspectives/Fitting/"
[70080a0]1274
1275        # Actual file will depend on the current tab
1276        tab_id = self.tabFitting.currentIndex()
1277        helpfile = "fitting.html"
1278        if tab_id == 0:
1279            helpfile = "fitting_help.html"
1280        elif tab_id == 1:
1281            helpfile = "residuals_help.html"
1282        elif tab_id == 2:
[e90988c]1283            helpfile = "resolution.html"
[70080a0]1284        elif tab_id == 3:
[e90988c]1285            helpfile = "pd/polydispersity.html"
[70080a0]1286        elif tab_id == 4:
[e90988c]1287            helpfile = "magnetism/magnetism.html"
[70080a0]1288        help_location = tree_location + helpfile
[d6b8a1d]1289
[e90988c]1290        self.showHelp(help_location)
1291
1292    def showHelp(self, url):
1293        """
1294        Calls parent's method for opening an HTML page
1295        """
1296        self.parent.showHelp(url)
[2add354]1297
[6ff2eb3]1298    def onDisplayMagneticAngles(self):
1299        """
1300        Display a simple image showing direction of magnetic angles
1301        """
1302        self.magneticAnglesWidget.show()
1303
[0268aed]1304    def onFit(self):
1305        """
1306        Perform fitting on the current data
1307        """
[ded5e77]1308        if self.fit_started:
1309            self.stopFit()
1310            return
1311
[116dd4c1]1312        # initialize fitter constants
[f182f93]1313        fit_id = 0
1314        handler = None
1315        batch_inputs = {}
1316        batch_outputs = {}
1317        #---------------------------------
[14ec91c5]1318        if LocalConfig.USING_TWISTED:
[7adc2a8]1319            handler = None
1320            updater = None
1321        else:
1322            handler = ConsoleUpdate(parent=self.parent,
1323                                    manager=self,
1324                                    improvement_delta=0.1)
1325            updater = handler.update_fit
[f182f93]1326
[116dd4c1]1327        # Prepare the fitter object
[c6343a5]1328        try:
1329            fitters, _ = self.prepareFitters()
1330        except ValueError as ex:
1331            # This should not happen! GUI explicitly forbids this situation
[3b3b40b]1332            self.communicate.statusBarUpdateSignal.emit(str(ex))
[c6343a5]1333            return
[f182f93]1334
[d4dac80]1335        # keep local copy of kernel parameters, as they will change during the update
1336        self.kernel_module_copy = copy.deepcopy(self.kernel_module)
1337
[f182f93]1338        # Create the fitting thread, based on the fitter
[3b3b40b]1339        completefn = self.batchFittingCompleted if self.is_batch_fitting else self.fittingCompleted
[ee18d33]1340
[ded5e77]1341        self.calc_fit = FitThread(handler=handler,
[116dd4c1]1342                            fn=fitters,
1343                            batch_inputs=batch_inputs,
1344                            batch_outputs=batch_outputs,
1345                            page_id=[[self.page_id]],
1346                            updatefn=updater,
[91ad45c]1347                            completefn=completefn,
1348                            reset_flag=self.is_chain_fitting)
[7adc2a8]1349
[14ec91c5]1350        if LocalConfig.USING_TWISTED:
[7adc2a8]1351            # start the trhrhread with twisted
[ded5e77]1352            calc_thread = threads.deferToThread(self.calc_fit.compute)
[14ec91c5]1353            calc_thread.addCallback(completefn)
[7adc2a8]1354            calc_thread.addErrback(self.fitFailed)
1355        else:
1356            # Use the old python threads + Queue
[ded5e77]1357            self.calc_fit.queue()
1358            self.calc_fit.ready(2.5)
[f182f93]1359
[d7ff531]1360        self.communicate.statusBarUpdateSignal.emit('Fitting started...')
[ded5e77]1361        self.fit_started = True
[14ec91c5]1362        # Disable some elements
1363        self.setFittingStarted()
[0268aed]1364
[ded5e77]1365    def stopFit(self):
1366        """
1367        Attempt to stop the fitting thread
1368        """
1369        if self.calc_fit is None or not self.calc_fit.isrunning():
1370            return
1371        self.calc_fit.stop()
1372        #self.fit_started=False
1373        #re-enable the Fit button
1374        self.setFittingStopped()
1375
1376        msg = "Fitting cancelled."
1377        self.communicate.statusBarUpdateSignal.emit(msg)
1378
[f182f93]1379    def updateFit(self):
1380        """
1381        """
[b3e8629]1382        print("UPDATE FIT")
[0268aed]1383        pass
1384
[02ddfb4]1385    def fitFailed(self, reason):
1386        """
1387        """
[ded5e77]1388        self.setFittingStopped()
1389        msg = "Fitting failed with: "+ str(reason)
1390        self.communicate.statusBarUpdateSignal.emit(msg)
[02ddfb4]1391
[3b3b40b]1392    def batchFittingCompleted(self, result):
1393        """
1394        Send the finish message from calculate threads to main thread
1395        """
[a2cc8b97]1396        if result is None:
1397            result = tuple()
[3b3b40b]1398        self.batchFittingFinishedSignal.emit(result)
1399
[ee18d33]1400    def batchFitComplete(self, result):
1401        """
1402        Receive and display batch fitting results
1403        """
1404        #re-enable the Fit button
[14ec91c5]1405        self.setFittingStopped()
[d4dac80]1406
[a2cc8b97]1407        if len(result) == 0:
[d4dac80]1408            msg = "Fitting failed."
1409            self.communicate.statusBarUpdateSignal.emit(msg)
1410            return
1411
[3b3b40b]1412        # Show the grid panel
[d4dac80]1413        self.communicate.sendDataToGridSignal.emit(result[0])
1414
1415        elapsed = result[1]
1416        msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed)
1417        self.communicate.statusBarUpdateSignal.emit(msg)
1418
1419        # Run over the list of results and update the items
1420        for res_index, res_list in enumerate(result[0]):
1421            # results
1422            res = res_list[0]
1423            param_dict = self.paramDictFromResults(res)
1424
1425            # create local kernel_module
1426            kernel_module = FittingUtilities.updateKernelWithResults(self.kernel_module, param_dict)
1427            # pull out current data
1428            data = self._logic[res_index].data
1429
1430            # Switch indexes
1431            self.onSelectBatchFilename(res_index)
1432
1433            method = self.complete1D if isinstance(self.data, Data1D) else self.complete2D
1434            self.calculateQGridForModelExt(data=data, model=kernel_module, completefn=method, use_threads=False)
1435
1436        # Restore original kernel_module, so subsequent fits on the same model don't pick up the new params
1437        if self.kernel_module is not None:
1438            self.kernel_module = copy.deepcopy(self.kernel_module_copy)
1439
1440    def paramDictFromResults(self, results):
1441        """
1442        Given the fit results structure, pull out optimized parameters and return them as nicely
1443        formatted dict
1444        """
1445        if results.fitness is None or \
1446            not np.isfinite(results.fitness) or \
1447            np.any(results.pvec is None) or \
1448            not np.all(np.isfinite(results.pvec)):
1449            msg = "Fitting did not converge!"
1450            self.communicate.statusBarUpdateSignal.emit(msg)
1451            msg += results.mesg
1452            logging.error(msg)
1453            return
1454
1455        param_list = results.param_list # ['radius', 'radius.width']
1456        param_values = results.pvec     # array([ 0.36221662,  0.0146783 ])
1457        param_stderr = results.stderr   # array([ 1.71293015,  1.71294233])
1458        params_and_errors = list(zip(param_values, param_stderr))
1459        param_dict = dict(zip(param_list, params_and_errors))
1460
1461        return param_dict
[3b3b40b]1462
1463    def fittingCompleted(self, result):
1464        """
1465        Send the finish message from calculate threads to main thread
1466        """
[a2cc8b97]1467        if result is None:
1468            result = tuple()
[3b3b40b]1469        self.fittingFinishedSignal.emit(result)
[ee18d33]1470
[f182f93]1471    def fitComplete(self, result):
1472        """
1473        Receive and display fitting results
1474        "result" is a tuple of actual result list and the fit time in seconds
1475        """
1476        #re-enable the Fit button
[14ec91c5]1477        self.setFittingStopped()
[d7ff531]1478
[a2cc8b97]1479        if len(result) == 0:
[3b3b40b]1480            msg = "Fitting failed."
[06234fc]1481            self.communicate.statusBarUpdateSignal.emit(msg)
1482            return
[d7ff531]1483
[ee18d33]1484        res_list = result[0][0]
[f182f93]1485        res = res_list[0]
[d4dac80]1486        self.chi2 = res.fitness
1487        param_dict = self.paramDictFromResults(res)
[f182f93]1488
[14acf92]1489        if param_dict is None:
1490            return
1491
[f182f93]1492        elapsed = result[1]
[ded5e77]1493        if self.calc_fit._interrupting:
1494            msg = "Fitting cancelled by user after: %s s." % GuiUtils.formatNumber(elapsed)
1495            logging.warning("\n"+msg+"\n")
1496        else:
1497            msg = "Fitting completed successfully in: %s s." % GuiUtils.formatNumber(elapsed)
[f182f93]1498        self.communicate.statusBarUpdateSignal.emit(msg)
1499
1500        # Dictionary of fitted parameter: value, error
1501        # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)}
1502        self.updateModelFromList(param_dict)
1503
[aca8418]1504        self.updatePolyModelFromList(param_dict)
1505
[b00414d]1506        self.updateMagnetModelFromList(param_dict)
1507
[d7ff531]1508        # update charts
1509        self.onPlot()
[c2f3ca2]1510        #self.recalculatePlotData()
1511
[d7ff531]1512
[f182f93]1513        # Read only value - we can get away by just printing it here
[2add354]1514        chi2_repr = GuiUtils.formatNumber(self.chi2, high=True)
[f182f93]1515        self.lblChi2Value.setText(chi2_repr)
1516
[116dd4c1]1517    def prepareFitters(self, fitter=None, fit_id=0):
1518        """
1519        Prepare the Fitter object for use in fitting
1520        """
1521        # fitter = None -> single/batch fitting
1522        # fitter = Fit() -> simultaneous fitting
1523
1524        # Data going in
1525        data = self.logic.data
[66d4370]1526        model = copy.deepcopy(self.kernel_module)
[116dd4c1]1527        qmin = self.q_range_min
1528        qmax = self.q_range_max
[66d4370]1529        # add polydisperse/magnet parameters if asked
1530        self.updateKernelModelWithExtraParams(model)
[6dbff18]1531
1532        params_to_fit = self.main_params_to_fit
1533        if self.chkPolydispersity.isChecked():
1534            params_to_fit += self.poly_params_to_fit
1535        if self.chkMagnetism.isChecked():
1536            params_to_fit += self.magnet_params_to_fit
[8e2cd79]1537        if not params_to_fit:
[c6343a5]1538            raise ValueError('Fitting requires at least one parameter to optimize.')
[116dd4c1]1539
[8b480d27]1540        # Get the constraints.
1541        constraints = self.getComplexConstraintsForModel()
1542        if fitter is None:
1543            # For single fits - check for inter-model constraints
1544            constraints = self.getConstraintsForFitting()
[3b3b40b]1545
[9a7c81c]1546        smearer = self.smearing_widget.smearer()
[116dd4c1]1547        handler = None
1548        batch_inputs = {}
1549        batch_outputs = {}
1550
1551        fitters = []
1552        for fit_index in self.all_data:
1553            fitter_single = Fit() if fitter is None else fitter
1554            data = GuiUtils.dataFromItem(fit_index)
[9a7c81c]1555            # Potential weights added directly to data
[b764ae5]1556            weighted_data = self.addWeightingToData(data)
[116dd4c1]1557            try:
[b764ae5]1558                fitter_single.set_model(model, fit_id, params_to_fit, data=weighted_data,
[116dd4c1]1559                             constraints=constraints)
1560            except ValueError as ex:
[3b3b40b]1561                raise ValueError("Setting model parameters failed with: %s" % ex)
[116dd4c1]1562
[b764ae5]1563            qmin, qmax, _ = self.logic.computeRangeFromData(weighted_data)
1564            fitter_single.set_data(data=weighted_data, id=fit_id, smearer=smearer, qmin=qmin,
[116dd4c1]1565                            qmax=qmax)
1566            fitter_single.select_problem_for_fit(id=fit_id, value=1)
1567            if fitter is None:
1568                # Assign id to the new fitter only
1569                fitter_single.fitter_id = [self.page_id]
1570            fit_id += 1
1571            fitters.append(fitter_single)
1572
1573        return fitters, fit_id
1574
[f182f93]1575    def iterateOverModel(self, func):
1576        """
1577        Take func and throw it inside the model row loop
1578        """
[b3e8629]1579        for row_i in range(self._model_model.rowCount()):
[f182f93]1580            func(row_i)
1581
1582    def updateModelFromList(self, param_dict):
1583        """
1584        Update the model with new parameters, create the errors column
1585        """
1586        assert isinstance(param_dict, dict)
1587        if not dict:
1588            return
1589
[919d47c]1590        def updateFittedValues(row):
[f182f93]1591            # Utility function for main model update
[d7ff531]1592            # internal so can use closure for param_dict
[919d47c]1593            param_name = str(self._model_model.item(row, 0).text())
[00b7ddf0]1594            if not self.isCheckable(row) or param_name not in list(param_dict.keys()):
[f182f93]1595                return
1596            # modify the param value
[454670d]1597            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
[919d47c]1598            self._model_model.item(row, 1).setText(param_repr)
[c2f3ca2]1599            self.kernel_module.setParam(param_name, param_dict[param_name][0])
[f182f93]1600            if self.has_error_column:
[454670d]1601                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
[919d47c]1602                self._model_model.item(row, 2).setText(error_repr)
[f182f93]1603
[919d47c]1604        def updatePolyValues(row):
1605            # Utility function for updateof polydispersity part of the main model
1606            param_name = str(self._model_model.item(row, 0).text())+'.width'
[00b7ddf0]1607            if not self.isCheckable(row) or param_name not in list(param_dict.keys()):
[919d47c]1608                return
1609            # modify the param value
1610            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1611            self._model_model.item(row, 0).child(0).child(0,1).setText(param_repr)
[906e0c7]1612            # modify the param error
1613            if self.has_error_column:
1614                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1615                self._model_model.item(row, 0).child(0).child(0,2).setText(error_repr)
[919d47c]1616
1617        def createErrorColumn(row):
[f182f93]1618            # Utility function for error column update
1619            item = QtGui.QStandardItem()
[919d47c]1620            def createItem(param_name):
[f182f93]1621                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1622                item.setText(error_repr)
[919d47c]1623            def curr_param():
1624                return str(self._model_model.item(row, 0).text())
1625
[b3e8629]1626            [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name]
[919d47c]1627
[f182f93]1628            error_column.append(item)
1629
[906e0c7]1630        def createPolyErrorColumn(row):
1631            # Utility function for error column update in the polydispersity sub-rows
1632            # NOTE: only creates empty items; updatePolyValues adds the error value
1633            item = self._model_model.item(row, 0)
1634            if not item.hasChildren():
1635                return
1636            poly_item = item.child(0)
1637            if not poly_item.hasChildren():
1638                return
1639            poly_item.insertColumn(2, [QtGui.QStandardItem("")])
1640
1641        if not self.has_error_column:
1642            # create top-level error column
1643            error_column = []
1644            self.lstParams.itemDelegate().addErrorColumn()
1645            self.iterateOverModel(createErrorColumn)
1646
1647            self._model_model.insertColumn(2, error_column)
1648
1649            FittingUtilities.addErrorHeadersToModel(self._model_model)
1650
1651            # create error column in polydispersity sub-rows
1652            self.iterateOverModel(createPolyErrorColumn)
1653
1654            self.has_error_column = True
1655
[c2f3ca2]1656        # block signals temporarily, so we don't end up
1657        # updating charts with every single model change on the end of fitting
1658        self._model_model.itemChanged.disconnect()
[d7ff531]1659        self.iterateOverModel(updateFittedValues)
[919d47c]1660        self.iterateOverModel(updatePolyValues)
[c2f3ca2]1661        self._model_model.itemChanged.connect(self.onMainParamsChange)
[f182f93]1662
[d7ff531]1663        # Adjust the table cells width.
1664        # TODO: find a way to dynamically adjust column width while resized expanding
1665        self.lstParams.resizeColumnToContents(0)
1666        self.lstParams.resizeColumnToContents(4)
1667        self.lstParams.resizeColumnToContents(5)
[4992ff2]1668        self.lstParams.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
[d7ff531]1669
[8e2cd79]1670    def iterateOverPolyModel(self, func):
1671        """
1672        Take func and throw it inside the poly model row loop
1673        """
1674        for row_i in range(self._poly_model.rowCount()):
1675            func(row_i)
1676
[aca8418]1677    def updatePolyModelFromList(self, param_dict):
1678        """
1679        Update the polydispersity model with new parameters, create the errors column
1680        """
1681        assert isinstance(param_dict, dict)
1682        if not dict:
1683            return
1684
1685        def updateFittedValues(row_i):
1686            # Utility function for main model update
1687            # internal so can use closure for param_dict
1688            if row_i >= self._poly_model.rowCount():
1689                return
1690            param_name = str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width'
[b3e8629]1691            if param_name not in list(param_dict.keys()):
[aca8418]1692                return
1693            # modify the param value
1694            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1695            self._poly_model.item(row_i, 1).setText(param_repr)
[c2f3ca2]1696            self.kernel_module.setParam(param_name, param_dict[param_name][0])
[aca8418]1697            if self.has_poly_error_column:
1698                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1699                self._poly_model.item(row_i, 2).setText(error_repr)
1700
1701        def createErrorColumn(row_i):
1702            # Utility function for error column update
1703            if row_i >= self._poly_model.rowCount():
1704                return
1705            item = QtGui.QStandardItem()
[919d47c]1706
1707            def createItem(param_name):
[aca8418]1708                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1709                item.setText(error_repr)
[919d47c]1710
1711            def poly_param():
1712                return str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width'
1713
[b3e8629]1714            [createItem(param_name) for param_name in list(param_dict.keys()) if poly_param() == param_name]
[919d47c]1715
[aca8418]1716            error_column.append(item)
1717
1718        # block signals temporarily, so we don't end up
1719        # updating charts with every single model change on the end of fitting
[c2f3ca2]1720        self._poly_model.itemChanged.disconnect()
[8e2cd79]1721        self.iterateOverPolyModel(updateFittedValues)
[c2f3ca2]1722        self._poly_model.itemChanged.connect(self.onPolyModelChange)
[aca8418]1723
1724        if self.has_poly_error_column:
1725            return
1726
[8eaa101]1727        self.lstPoly.itemDelegate().addErrorColumn()
[aca8418]1728        error_column = []
[8e2cd79]1729        self.iterateOverPolyModel(createErrorColumn)
[aca8418]1730
1731        # switch off reponse to model change
1732        self._poly_model.insertColumn(2, error_column)
1733        FittingUtilities.addErrorPolyHeadersToModel(self._poly_model)
1734
1735        self.has_poly_error_column = True
1736
[8e2cd79]1737    def iterateOverMagnetModel(self, func):
1738        """
1739        Take func and throw it inside the magnet model row loop
1740        """
[30339cc]1741        for row_i in range(self._magnet_model.rowCount()):
[8e2cd79]1742            func(row_i)
1743
[b00414d]1744    def updateMagnetModelFromList(self, param_dict):
1745        """
1746        Update the magnetic model with new parameters, create the errors column
1747        """
1748        assert isinstance(param_dict, dict)
1749        if not dict:
1750            return
[3b3b40b]1751        if self._magnet_model.rowCount() == 0:
[cee5c78]1752            return
[b00414d]1753
1754        def updateFittedValues(row):
1755            # Utility function for main model update
1756            # internal so can use closure for param_dict
[cee5c78]1757            if self._magnet_model.item(row, 0) is None:
1758                return
[b00414d]1759            param_name = str(self._magnet_model.item(row, 0).text())
[b3e8629]1760            if param_name not in list(param_dict.keys()):
[b00414d]1761                return
1762            # modify the param value
1763            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1764            self._magnet_model.item(row, 1).setText(param_repr)
[c2f3ca2]1765            self.kernel_module.setParam(param_name, param_dict[param_name][0])
[b00414d]1766            if self.has_magnet_error_column:
1767                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1768                self._magnet_model.item(row, 2).setText(error_repr)
1769
1770        def createErrorColumn(row):
1771            # Utility function for error column update
1772            item = QtGui.QStandardItem()
1773            def createItem(param_name):
1774                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1775                item.setText(error_repr)
1776            def curr_param():
1777                return str(self._magnet_model.item(row, 0).text())
1778
[b3e8629]1779            [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name]
[b00414d]1780
1781            error_column.append(item)
1782
1783        # block signals temporarily, so we don't end up
1784        # updating charts with every single model change on the end of fitting
[c2f3ca2]1785        self._magnet_model.itemChanged.disconnect()
[8e2cd79]1786        self.iterateOverMagnetModel(updateFittedValues)
[c2f3ca2]1787        self._magnet_model.itemChanged.connect(self.onMagnetModelChange)
[b00414d]1788
1789        if self.has_magnet_error_column:
1790            return
1791
1792        self.lstMagnetic.itemDelegate().addErrorColumn()
1793        error_column = []
[8e2cd79]1794        self.iterateOverMagnetModel(createErrorColumn)
[b00414d]1795
1796        # switch off reponse to model change
1797        self._magnet_model.insertColumn(2, error_column)
1798        FittingUtilities.addErrorHeadersToModel(self._magnet_model)
1799
1800        self.has_magnet_error_column = True
1801
[0268aed]1802    def onPlot(self):
1803        """
1804        Plot the current set of data
1805        """
[d48cc19]1806        # Regardless of previous state, this should now be `plot show` functionality only
1807        self.cmdPlot.setText("Show Plot")
[88e1f57]1808        # Force data recalculation so existing charts are updated
[d48cc19]1809        self.showPlot()
[c2f3ca2]1810        self.recalculatePlotData()
[d48cc19]1811
[9a7c81c]1812    def onSmearingOptionsUpdate(self):
1813        """
1814        React to changes in the smearing widget
1815        """
1816        self.calculateQGridForModel()
1817
[d48cc19]1818    def recalculatePlotData(self):
1819        """
1820        Generate a new dataset for model
1821        """
[180bd54]1822        if not self.data_is_loaded:
[0268aed]1823            self.createDefaultDataset()
1824        self.calculateQGridForModel()
1825
[d48cc19]1826    def showPlot(self):
1827        """
1828        Show the current plot in MPL
1829        """
1830        # Show the chart if ready
1831        data_to_show = self.data if self.data_is_loaded else self.model_data
1832        if data_to_show is not None:
1833            self.communicate.plotRequestedSignal.emit([data_to_show])
1834
[180bd54]1835    def onOptionsUpdate(self):
[0268aed]1836        """
[180bd54]1837        Update local option values and replot
[0268aed]1838        """
[180bd54]1839        self.q_range_min, self.q_range_max, self.npts, self.log_points, self.weighting = \
1840            self.options_widget.state()
[61a92d4]1841        # set Q range labels on the main tab
1842        self.lblMinRangeDef.setText(str(self.q_range_min))
1843        self.lblMaxRangeDef.setText(str(self.q_range_max))
[d48cc19]1844        self.recalculatePlotData()
[6c8fb2c]1845
[0268aed]1846    def setDefaultStructureCombo(self):
1847        """
1848        Fill in the structure factors combo box with defaults
1849        """
1850        structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE)
1851        factors = [factor[0] for factor in structure_factor_list]
1852        factors.insert(0, STRUCTURE_DEFAULT)
1853        self.cbStructureFactor.clear()
1854        self.cbStructureFactor.addItems(sorted(factors))
1855
[4d457df]1856    def createDefaultDataset(self):
1857        """
1858        Generate default Dataset 1D/2D for the given model
1859        """
1860        # Create default datasets if no data passed
1861        if self.is2D:
[180bd54]1862            qmax = self.q_range_max/np.sqrt(2)
[4d457df]1863            qstep = self.npts
1864            self.logic.createDefault2dData(qmax, qstep, self.tab_id)
[180bd54]1865            return
1866        elif self.log_points:
1867            qmin = -10.0 if self.q_range_min < 1.e-10 else np.log10(self.q_range_min)
[1bc27f1]1868            qmax = 10.0 if self.q_range_max > 1.e10 else np.log10(self.q_range_max)
[180bd54]1869            interval = np.logspace(start=qmin, stop=qmax, num=self.npts, endpoint=True, base=10.0)
[4d457df]1870        else:
[180bd54]1871            interval = np.linspace(start=self.q_range_min, stop=self.q_range_max,
[1bc27f1]1872                                   num=self.npts, endpoint=True)
[180bd54]1873        self.logic.createDefault1dData(interval, self.tab_id)
[60af928]1874
[5236449]1875    def readCategoryInfo(self):
[60af928]1876        """
1877        Reads the categories in from file
1878        """
1879        self.master_category_dict = defaultdict(list)
1880        self.by_model_dict = defaultdict(list)
1881        self.model_enabled_dict = defaultdict(bool)
1882
[cbcdd2c]1883        categorization_file = CategoryInstaller.get_user_file()
1884        if not os.path.isfile(categorization_file):
1885            categorization_file = CategoryInstaller.get_default_file()
1886        with open(categorization_file, 'rb') as cat_file:
[60af928]1887            self.master_category_dict = json.load(cat_file)
[5236449]1888            self.regenerateModelDict()
[60af928]1889
[5236449]1890        # Load the model dict
1891        models = load_standard_models()
1892        for model in models:
1893            self.models[model.name] = model
1894
[3b3b40b]1895        self.readCustomCategoryInfo()
1896
1897    def readCustomCategoryInfo(self):
1898        """
1899        Reads the custom model category
1900        """
1901        #Looking for plugins
1902        self.plugins = list(self.custom_models.values())
1903        plugin_list = []
1904        for name, plug in self.custom_models.items():
1905            self.models[name] = plug
1906            plugin_list.append([name, True])
1907        self.master_category_dict[CATEGORY_CUSTOM] = plugin_list
1908
[5236449]1909    def regenerateModelDict(self):
[60af928]1910        """
[cbcdd2c]1911        Regenerates self.by_model_dict which has each model name as the
[60af928]1912        key and the list of categories belonging to that model
1913        along with the enabled mapping
1914        """
1915        self.by_model_dict = defaultdict(list)
1916        for category in self.master_category_dict:
1917            for (model, enabled) in self.master_category_dict[category]:
1918                self.by_model_dict[model].append(category)
1919                self.model_enabled_dict[model] = enabled
1920
[86f88d1]1921    def addBackgroundToModel(self, model):
1922        """
1923        Adds background parameter with default values to the model
1924        """
[cbcdd2c]1925        assert isinstance(model, QtGui.QStandardItemModel)
[86f88d1]1926        checked_list = ['background', '0.001', '-inf', 'inf', '1/cm']
[4d457df]1927        FittingUtilities.addCheckedListToModel(model, checked_list)
[2add354]1928        last_row = model.rowCount()-1
1929        model.item(last_row, 0).setEditable(False)
1930        model.item(last_row, 4).setEditable(False)
[86f88d1]1931
1932    def addScaleToModel(self, model):
1933        """
1934        Adds scale parameter with default values to the model
1935        """
[cbcdd2c]1936        assert isinstance(model, QtGui.QStandardItemModel)
[86f88d1]1937        checked_list = ['scale', '1.0', '0.0', 'inf', '']
[4d457df]1938        FittingUtilities.addCheckedListToModel(model, checked_list)
[2add354]1939        last_row = model.rowCount()-1
1940        model.item(last_row, 0).setEditable(False)
1941        model.item(last_row, 4).setEditable(False)
[86f88d1]1942
[9d266d2]1943    def addWeightingToData(self, data):
1944        """
1945        Adds weighting contribution to fitting data
[1bc27f1]1946        """
[b764ae5]1947        new_data = copy.deepcopy(data)
[e1e3e09]1948        # Send original data for weighting
[dc5ef15]1949        weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting)
[9a7c81c]1950        if self.is2D:
[b764ae5]1951            new_data.err_data = weight
[9a7c81c]1952        else:
[b764ae5]1953            new_data.dy = weight
1954
1955        return new_data
[9d266d2]1956
[0268aed]1957    def updateQRange(self):
1958        """
1959        Updates Q Range display
1960        """
1961        if self.data_is_loaded:
1962            self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange()
1963        # set Q range labels on the main tab
1964        self.lblMinRangeDef.setText(str(self.q_range_min))
1965        self.lblMaxRangeDef.setText(str(self.q_range_max))
1966        # set Q range labels on the options tab
[180bd54]1967        self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts)
[0268aed]1968
[4d457df]1969    def SASModelToQModel(self, model_name, structure_factor=None):
[60af928]1970        """
[cbcdd2c]1971        Setting model parameters into table based on selected category
[60af928]1972        """
1973        # Crete/overwrite model items
1974        self._model_model.clear()
[f3a19ad]1975        self._poly_model.clear()
1976        self._magnet_model.clear()
[5236449]1977
[f3a19ad]1978        if model_name is None:
1979            if structure_factor not in (None, "None"):
1980                # S(Q) on its own, treat the same as a form factor
1981                self.kernel_module = None
1982                self.fromStructureFactorToQModel(structure_factor)
1983            else:
1984                # No models selected
1985                return
[cd31251]1986        else:
[fd1ae6d1]1987            self.fromModelToQModel(model_name)
[70f4458]1988            self.addExtraShells()
[5236449]1989
[fd1ae6d1]1990            # Allow the SF combobox visibility for the given sasmodel
1991            self.enableStructureFactorControl(structure_factor)
[4ea8020]1992       
1993            # Add S(Q)
[605d944]1994            if self.cbStructureFactor.isEnabled():
1995                structure_factor = self.cbStructureFactor.currentText()
1996                self.fromStructureFactorToQModel(structure_factor)
[cd31251]1997
[f3a19ad]1998            # Add polydispersity to the model
[4ea8020]1999            self.poly_params = {}
[f3a19ad]2000            self.setPolyModel()
2001            # Add magnetic parameters to the model
[4ea8020]2002            self.magnet_params = {}
[f3a19ad]2003            self.setMagneticModel()
[5236449]2004
[a9b568c]2005        # Adjust the table cells width
2006        self.lstParams.resizeColumnToContents(0)
[4992ff2]2007        self.lstParams.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
[a9b568c]2008
[5236449]2009        # Now we claim the model has been loaded
[86f88d1]2010        self.model_is_loaded = True
[be8f4b0]2011        # Change the model name to a monicker
2012        self.kernel_module.name = self.modelName()
[9a7c81c]2013        # Update the smearing tab
2014        self.smearing_widget.updateKernelModel(kernel_model=self.kernel_module)
[86f88d1]2015
[fd1ae6d1]2016        # (Re)-create headers
2017        FittingUtilities.addHeadersToModel(self._model_model)
[6964d44]2018        self.lstParams.header().setFont(self.boldFont)
[fd1ae6d1]2019
[5236449]2020        # Update Q Ranges
2021        self.updateQRange()
2022
[fd1ae6d1]2023    def fromModelToQModel(self, model_name):
2024        """
2025        Setting model parameters into QStandardItemModel based on selected _model_
2026        """
[3b3b40b]2027        name = model_name
[e3df84e]2028        kernel_module = None
[3b3b40b]2029        if self.cbCategory.currentText() == CATEGORY_CUSTOM:
2030            # custom kernel load requires full path
2031            name = os.path.join(ModelUtilities.find_plugins_dir(), model_name+".py")
[060413c]2032        try:
2033            kernel_module = generate.load_kernel_module(name)
[e3df84e]2034        except ModuleNotFoundError as ex:
2035            pass
2036
2037        if kernel_module is None:
2038            # mismatch between "name" attribute and actual filename.
2039            curr_model = self.models[model_name]
2040            name, _ = os.path.splitext(os.path.basename(curr_model.filename))
2041            try:
2042                kernel_module = generate.load_kernel_module(name)
2043            except ModuleNotFoundError as ex:
2044                logging.error("Can't find the model "+ str(ex))
2045                return
[dc71408]2046
2047        if hasattr(kernel_module, 'parameters'):
2048            # built-in and custom models
2049            self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', []))
2050
2051        elif hasattr(kernel_module, 'model_info'):
2052            # for sum/multiply models
2053            self.model_parameters = kernel_module.model_info.parameters
2054
2055        elif hasattr(kernel_module, 'Model') and hasattr(kernel_module.Model, "_model_info"):
2056            # this probably won't work if there's no model_info, but just in case
2057            self.model_parameters = kernel_module.Model._model_info.parameters
2058        else:
2059            # no parameters - default to blank table
2060            msg = "No parameters found in model '{}'.".format(model_name)
2061            logger.warning(msg)
2062            self.model_parameters = modelinfo.ParameterTable([])
[fd1ae6d1]2063
2064        # Instantiate the current sasmodel
2065        self.kernel_module = self.models[model_name]()
2066
2067        # Explicitly add scale and background with default values
[6964d44]2068        temp_undo_state = self.undo_supported
2069        self.undo_supported = False
[fd1ae6d1]2070        self.addScaleToModel(self._model_model)
2071        self.addBackgroundToModel(self._model_model)
[6964d44]2072        self.undo_supported = temp_undo_state
[fd1ae6d1]2073
[0d13814]2074        self.shell_names = self.shellNamesList()
2075
[00b7ddf0]2076        # Add heading row
2077        FittingUtilities.addHeadingRowToModel(self._model_model, model_name)
[aca8418]2078
[fd1ae6d1]2079        # Update the QModel
[04f775d]2080        FittingUtilities.addParametersToModel(
2081                self.model_parameters,
2082                self.kernel_module,
[a758043]2083                self.is2D,
2084                self._model_model,
2085                self.lstParams)
[fd1ae6d1]2086
2087    def fromStructureFactorToQModel(self, structure_factor):
2088        """
2089        Setting model parameters into QStandardItemModel based on selected _structure factor_
2090        """
[605d944]2091        if structure_factor is None or structure_factor=="None":
2092            return
[18d5c94a]2093
[5fb714b]2094        if self.kernel_module is None:
2095            # Structure factor is the only selected model; build it and show all its params
2096            self.kernel_module = self.models[structure_factor]()
2097            s_params = self.kernel_module._model_info.parameters
2098            s_params_orig = s_params
[5d1440e1]2099
[f3a19ad]2100        else:
[5fb714b]2101            s_kernel = self.models[structure_factor]()
2102            p_kernel = self.kernel_module
[5d1440e1]2103
[f3a19ad]2104            p_pars_len = len(p_kernel._model_info.parameters.kernel_parameters)
2105            s_pars_len = len(s_kernel._model_info.parameters.kernel_parameters)
[fd1ae6d1]2106
[f3a19ad]2107            self.kernel_module = MultiplicationModel(p_kernel, s_kernel)
2108            all_params = self.kernel_module._model_info.parameters.kernel_parameters
2109            all_param_names = [param.name for param in all_params]
[18d5c94a]2110
[f3a19ad]2111            # S(Q) params from the product model are not necessarily the same as those from the S(Q) model; any
[5fb714b]2112            # conflicting names with P(Q) params will cause a rename
[fd1ae6d1]2113
[f3a19ad]2114            if "radius_effective_mode" in all_param_names:
2115                # Show all parameters
2116                s_params = modelinfo.ParameterTable(all_params[p_pars_len:p_pars_len+s_pars_len])
2117                s_params_orig = modelinfo.ParameterTable(s_kernel._model_info.parameters.kernel_parameters)
2118            else:
2119                # Ensure radius_effective is not displayed
2120                s_params_orig = modelinfo.ParameterTable(s_kernel._model_info.parameters.kernel_parameters[1:])
2121                if "radius_effective" in all_param_names:
2122                    s_params = modelinfo.ParameterTable(all_params[p_pars_len+1:p_pars_len+s_pars_len])
2123                else:
2124                    s_params = modelinfo.ParameterTable(all_params[p_pars_len:p_pars_len+s_pars_len-1])
2125
[00b7ddf0]2126        # Add heading row
2127        FittingUtilities.addHeadingRowToModel(self._model_model, structure_factor)
[0d72cac]2128
[b69b549]2129        # Get new rows for QModel
2130        # Any renamed parameters are stored as data in the relevant item, for later handling
[04f775d]2131        FittingUtilities.addSimpleParametersToModel(
[b69b549]2132                s_params,
[a758043]2133                self.is2D,
[b69b549]2134                s_params_orig,
[a758043]2135                self._model_model,
2136                self.lstParams)
[fd1ae6d1]2137
[6dbff18]2138    def haveParamsToFit(self):
2139        """
2140        Finds out if there are any parameters ready to be fitted
2141        """
2142        return (self.main_params_to_fit!=[]
2143                or self.poly_params_to_fit!=[]
2144                or self.magnet_params_to_fit != []) and \
2145                self.logic.data_is_loaded
2146
[b00414d]2147    def onMainParamsChange(self, item):
[cd31251]2148        """
2149        Callback method for updating the sasmodel parameters with the GUI values
2150        """
[cbcdd2c]2151        model_column = item.column()
[cd31251]2152
2153        if model_column == 0:
[f182f93]2154            self.checkboxSelected(item)
[6dbff18]2155            self.cmdFit.setEnabled(self.haveParamsToFit())
[6964d44]2156            # Update state stack
2157            self.updateUndo()
[cd31251]2158            return
2159
[f182f93]2160        model_row = item.row()
2161        name_index = self._model_model.index(model_row, 0)
[700b03b]2162        name_item = self._model_model.itemFromIndex(name_index)
[f182f93]2163
[b00414d]2164        # Extract changed value.
[2add354]2165        try:
[fbfc488]2166            value = GuiUtils.toDouble(item.text())
[0261bc1]2167        except TypeError:
[2add354]2168            # Unparsable field
2169            return
[fbfc488]2170
[700b03b]2171        # if the item has user data, this is the actual parameter name (e.g. to handle duplicate names)
2172        if name_item.data(QtCore.Qt.UserRole):
2173            parameter_name = str(name_item.data(QtCore.Qt.UserRole))
2174        else:
2175            parameter_name = str(self._model_model.data(name_index))
[cbcdd2c]2176
[00b3b40]2177        # Update the parameter value - note: this supports +/-inf as well
[cbcdd2c]2178        self.kernel_module.params[parameter_name] = value
2179
[8a32a6ff]2180        # Update the parameter value - note: this supports +/-inf as well
[8f2548c]2181        param_column = self.lstParams.itemDelegate().param_value
2182        min_column = self.lstParams.itemDelegate().param_min
2183        max_column = self.lstParams.itemDelegate().param_max
2184        if model_column == param_column:
[8a32a6ff]2185            self.kernel_module.setParam(parameter_name, value)
[8f2548c]2186        elif model_column == min_column:
[8a32a6ff]2187            # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf]
[8f2548c]2188            self.kernel_module.details[parameter_name][1] = value
2189        elif model_column == max_column:
2190            self.kernel_module.details[parameter_name][2] = value
2191        else:
2192            # don't update the chart
2193            return
[00b3b40]2194
2195        # TODO: magnetic params in self.kernel_module.details['M0:parameter_name'] = value
2196        # TODO: multishell params in self.kernel_module.details[??] = value
[cbcdd2c]2197
[d7ff531]2198        # Force the chart update when actual parameters changed
2199        if model_column == 1:
[d48cc19]2200            self.recalculatePlotData()
[7d077d1]2201
[2241130]2202        # Update state stack
[00b3b40]2203        self.updateUndo()
[2241130]2204
[7fd20fc]2205    def isCheckable(self, row):
2206        return self._model_model.item(row, 0).isCheckable()
2207
[f182f93]2208    def checkboxSelected(self, item):
2209        # Assure we're dealing with checkboxes
2210        if not item.isCheckable():
2211            return
2212        status = item.checkState()
2213
2214        # If multiple rows selected - toggle all of them, filtering uncheckable
2215        # Switch off signaling from the model to avoid recursion
2216        self._model_model.blockSignals(True)
2217        # Convert to proper indices and set requested enablement
[7fd20fc]2218        self.setParameterSelection(status)
[f182f93]2219        self._model_model.blockSignals(False)
2220
2221        # update the list of parameters to fit
[6dbff18]2222        self.main_params_to_fit = self.checkedListFromModel(self._model_model)
[c1e380e]2223
2224    def checkedListFromModel(self, model):
2225        """
2226        Returns list of checked parameters for given model
2227        """
2228        def isChecked(row):
2229            return model.item(row, 0).checkState() == QtCore.Qt.Checked
2230
2231        return [str(model.item(row_index, 0).text())
[b3e8629]2232                for row_index in range(model.rowCount())
[c1e380e]2233                if isChecked(row_index)]
[f182f93]2234
[6fd4e36]2235    def createNewIndex(self, fitted_data):
2236        """
2237        Create a model or theory index with passed Data1D/Data2D
2238        """
2239        if self.data_is_loaded:
[0268aed]2240            if not fitted_data.name:
2241                name = self.nameForFittedData(self.data.filename)
2242                fitted_data.title = name
2243                fitted_data.name = name
2244                fitted_data.filename = name
[7d077d1]2245                fitted_data.symbol = "Line"
[6fd4e36]2246            self.updateModelIndex(fitted_data)
2247        else:
[3ae9179]2248            if not fitted_data.name:
2249                name = self.nameForFittedData(self.kernel_module.id)
2250            else:
2251                name = fitted_data.name
[0268aed]2252            fitted_data.title = name
2253            fitted_data.filename = name
2254            fitted_data.symbol = "Line"
[6fd4e36]2255            self.createTheoryIndex(fitted_data)
2256
2257    def updateModelIndex(self, fitted_data):
2258        """
2259        Update a QStandardModelIndex containing model data
2260        """
[00b3b40]2261        name = self.nameFromData(fitted_data)
[0268aed]2262        # Make this a line if no other defined
[7d077d1]2263        if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None:
[0268aed]2264            fitted_data.symbol = 'Line'
[6fd4e36]2265        # Notify the GUI manager so it can update the main model in DataExplorer
[d4dac80]2266        GuiUtils.updateModelItemWithPlot(self.all_data[self.data_index], fitted_data, name)
[6fd4e36]2267
2268    def createTheoryIndex(self, fitted_data):
2269        """
2270        Create a QStandardModelIndex containing model data
2271        """
[00b3b40]2272        name = self.nameFromData(fitted_data)
2273        # Notify the GUI manager so it can create the theory model in DataExplorer
[cb90b65]2274        self.theory_item = GuiUtils.createModelItemWithPlot(fitted_data, name=name)
2275        self.communicate.updateTheoryFromPerspectiveSignal.emit(self.theory_item)
[00b3b40]2276
2277    def nameFromData(self, fitted_data):
2278        """
2279        Return name for the dataset. Terribly impure function.
2280        """
[0268aed]2281        if fitted_data.name is None:
[00b3b40]2282            name = self.nameForFittedData(self.logic.data.filename)
[0268aed]2283            fitted_data.title = name
2284            fitted_data.name = name
2285            fitted_data.filename = name
2286        else:
2287            name = fitted_data.name
[00b3b40]2288        return name
[5236449]2289
[4d457df]2290    def methodCalculateForData(self):
2291        '''return the method for data calculation'''
2292        return Calc1D if isinstance(self.data, Data1D) else Calc2D
2293
2294    def methodCompleteForData(self):
2295        '''return the method for result parsin on calc complete '''
[d4dac80]2296        return self.completed1D if isinstance(self.data, Data1D) else self.completed2D
[4d457df]2297
[66d4370]2298    def updateKernelModelWithExtraParams(self, model=None):
2299        """
2300        Updates kernel model 'model' with extra parameters from
2301        the polydisp and magnetism tab, if the tabs are enabled
2302        """
2303        if model is None: return
2304        if not hasattr(model, 'setParam'): return
2305
2306        # add polydisperse parameters if asked
2307        if self.chkPolydispersity.isChecked():
2308            for key, value in self.poly_params.items():
2309                model.setParam(key, value)
2310        # add magnetic params if asked
2311        if self.chkMagnetism.isChecked():
2312            for key, value in self.magnet_params.items():
2313                model.setParam(key, value)
2314
[d4dac80]2315    def calculateQGridForModelExt(self, data=None, model=None, completefn=None, use_threads=True):
[86f88d1]2316        """
[d4dac80]2317        Wrapper for Calc1D/2D calls
[86f88d1]2318        """
[d4dac80]2319        if data is None:
2320            data = self.data
2321        if model is None:
[66d4370]2322            model = copy.deepcopy(self.kernel_module)
2323            self.updateKernelModelWithExtraParams(model)
2324
[d4dac80]2325        if completefn is None:
2326            completefn = self.methodCompleteForData()
[9a7c81c]2327        smearer = self.smearing_widget.smearer()
[b764ae5]2328        weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting)
2329
[4d457df]2330        # Awful API to a backend method.
[d4dac80]2331        calc_thread = self.methodCalculateForData()(data=data,
2332                                               model=model,
[1bc27f1]2333                                               page_id=0,
2334                                               qmin=self.q_range_min,
2335                                               qmax=self.q_range_max,
[9a7c81c]2336                                               smearer=smearer,
[1bc27f1]2337                                               state=None,
[b764ae5]2338                                               weight=weight,
[1bc27f1]2339                                               fid=None,
2340                                               toggle_mode_on=False,
[d4dac80]2341                                               completefn=completefn,
[1bc27f1]2342                                               update_chisqr=True,
2343                                               exception_handler=self.calcException,
2344                                               source=None)
[d4dac80]2345        if use_threads:
2346            if LocalConfig.USING_TWISTED:
2347                # start the thread with twisted
2348                thread = threads.deferToThread(calc_thread.compute)
2349                thread.addCallback(completefn)
2350                thread.addErrback(self.calculateDataFailed)
2351            else:
2352                # Use the old python threads + Queue
2353                calc_thread.queue()
2354                calc_thread.ready(2.5)
2355        else:
2356            results = calc_thread.compute()
2357            completefn(results)
[4d457df]2358
[d4dac80]2359    def calculateQGridForModel(self):
2360        """
2361        Prepare the fitting data object, based on current ModelModel
2362        """
2363        if self.kernel_module is None:
2364            return
2365        self.calculateQGridForModelExt()
[6964d44]2366
[aca8418]2367    def calculateDataFailed(self, reason):
[6964d44]2368        """
[c1e380e]2369        Thread returned error
[6964d44]2370        """
[b3e8629]2371        print("Calculate Data failed with ", reason)
[5236449]2372
[d4dac80]2373    def completed1D(self, return_data):
2374        self.Calc1DFinishedSignal.emit(return_data)
2375
2376    def completed2D(self, return_data):
2377        self.Calc2DFinishedSignal.emit(return_data)
2378
[cbcdd2c]2379    def complete1D(self, return_data):
[5236449]2380        """
[4d457df]2381        Plot the current 1D data
2382        """
[d48cc19]2383        fitted_data = self.logic.new1DPlot(return_data, self.tab_id)
[0fe7e5b]2384        residuals = self.calculateResiduals(fitted_data)
[d48cc19]2385        self.model_data = fitted_data
[5aad7a5]2386        new_plots = [fitted_data]
2387        if residuals is not None:
2388            new_plots.append(residuals)
[cbcdd2c]2389
[fd7ef36]2390        if self.data_is_loaded:
2391            GuiUtils.deleteRedundantPlots(self.all_data[self.data_index], new_plots)
2392        else:
2393            # delete theory items for the model, in order to get rid of any redundant items, e.g. beta(Q), S_eff(Q)
2394            self.communicate.deleteIntermediateTheoryPlotsSignal.emit(self.kernel_module.id)
[0fe7e5b]2395
[3ae9179]2396        # Create plots for intermediate product data
2397        pq_data, sq_data = self.logic.new1DProductPlots(return_data, self.tab_id)
[b4d05bd]2398        if pq_data is not None:
[6b3a231]2399            pq_data.symbol = "Line"
[3ae9179]2400            self.createNewIndex(pq_data)
[9463ca2]2401            # self.communicate.plotUpdateSignal.emit([pq_data])
[0fe7e5b]2402            new_plots.append(pq_data)
[b4d05bd]2403        if sq_data is not None:
2404            sq_data.symbol = "Line"
[3ae9179]2405            self.createNewIndex(sq_data)
[9463ca2]2406            # self.communicate.plotUpdateSignal.emit([sq_data])
[0fe7e5b]2407            new_plots.append(sq_data)
2408
[9463ca2]2409        for plot in new_plots:
[5aad7a5]2410            self.communicate.plotUpdateSignal.emit([plot])
[9463ca2]2411
[cbcdd2c]2412    def complete2D(self, return_data):
2413        """
[4d457df]2414        Plot the current 2D data
2415        """
[6fd4e36]2416        fitted_data = self.logic.new2DPlot(return_data)
[66d4370]2417        residuals = self.calculateResiduals(fitted_data)
[d48cc19]2418        self.model_data = fitted_data
[66d4370]2419        new_plots = [fitted_data]
2420        if residuals is not None:
2421            new_plots.append(residuals)
2422
2423        # Update/generate plots
2424        for plot in new_plots:
2425            self.communicate.plotUpdateSignal.emit([plot])
[6fd4e36]2426
2427    def calculateResiduals(self, fitted_data):
2428        """
[9463ca2]2429        Calculate and print Chi2 and display chart of residuals. Returns residuals plot object.
[6fd4e36]2430        """
2431        # Create a new index for holding data
[7d077d1]2432        fitted_data.symbol = "Line"
[6964d44]2433
2434        # Modify fitted_data with weighting
[b764ae5]2435        weighted_data = self.addWeightingToData(fitted_data)
[6964d44]2436
[b764ae5]2437        self.createNewIndex(weighted_data)
[6fd4e36]2438        # Calculate difference between return_data and logic.data
[b764ae5]2439        self.chi2 = FittingUtilities.calculateChi2(weighted_data, self.logic.data)
[6fd4e36]2440        # Update the control
[2add354]2441        chi2_repr = "---" if self.chi2 is None else GuiUtils.formatNumber(self.chi2, high=True)
[f182f93]2442        self.lblChi2Value.setText(chi2_repr)
[cbcdd2c]2443
[0268aed]2444        # Plot residuals if actual data
[aca8418]2445        if not self.data_is_loaded:
2446            return
2447
[b764ae5]2448        residuals_plot = FittingUtilities.plotResiduals(self.data, weighted_data)
[aca8418]2449        residuals_plot.id = "Residual " + residuals_plot.id
2450        self.createNewIndex(residuals_plot)
[0fe7e5b]2451        return residuals_plot
[5236449]2452
[3d18691]2453    def onCategoriesChanged(self):
2454            """
2455            Reload the category/model comboboxes
2456            """
2457            # Store the current combo indices
2458            current_cat = self.cbCategory.currentText()
2459            current_model = self.cbModel.currentText()
2460
2461            # reread the category file and repopulate the combo
2462            self.cbCategory.blockSignals(True)
2463            self.cbCategory.clear()
2464            self.readCategoryInfo()
2465            self.initializeCategoryCombo()
2466
2467            # Scroll back to the original index in Categories
2468            new_index = self.cbCategory.findText(current_cat)
2469            if new_index != -1:
2470                self.cbCategory.setCurrentIndex(new_index)
2471            self.cbCategory.blockSignals(False)
2472            # ...and in the Models
2473            self.cbModel.blockSignals(True)
2474            new_index = self.cbModel.findText(current_model)
2475            if new_index != -1:
2476                self.cbModel.setCurrentIndex(new_index)
2477            self.cbModel.blockSignals(False)
2478
2479            return
2480
[5236449]2481    def calcException(self, etype, value, tb):
2482        """
[c1e380e]2483        Thread threw an exception.
[5236449]2484        """
[c1e380e]2485        # TODO: remimplement thread cancellation
[5236449]2486        logging.error("".join(traceback.format_exception(etype, value, tb)))
[60af928]2487
2488    def setTableProperties(self, table):
2489        """
2490        Setting table properties
2491        """
2492        # Table properties
2493        table.verticalHeader().setVisible(False)
2494        table.setAlternatingRowColors(True)
[4992ff2]2495        table.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
2496        table.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows)
[f46f6dc]2497        table.resizeColumnsToContents()
2498
[60af928]2499        # Header
2500        header = table.horizontalHeader()
[4992ff2]2501        header.setSectionResizeMode(QtWidgets.QHeaderView.ResizeToContents)
2502        header.ResizeMode(QtWidgets.QHeaderView.Interactive)
[f46f6dc]2503
[4992ff2]2504        # Qt5: the following 2 lines crash - figure out why!
[e43fc91]2505        # Resize column 0 and 7 to content
[4992ff2]2506        #header.setSectionResizeMode(0, QtWidgets.QHeaderView.ResizeToContents)
2507        #header.setSectionResizeMode(7, QtWidgets.QHeaderView.ResizeToContents)
[60af928]2508
2509    def setPolyModel(self):
2510        """
2511        Set polydispersity values
2512        """
[86f88d1]2513        if not self.model_parameters:
2514            return
2515        self._poly_model.clear()
2516
[f53bc04]2517        parameters = self.model_parameters.form_volume_parameters
2518        if self.is2D:
2519            parameters += self.model_parameters.orientation_parameters
2520
[e43fc91]2521        [self.setPolyModelParameters(i, param) for i, param in \
[f53bc04]2522            enumerate(parameters) if param.polydisperse]
2523
[4d457df]2524        FittingUtilities.addPolyHeadersToModel(self._poly_model)
[60af928]2525
[e43fc91]2526    def setPolyModelParameters(self, i, param):
[aca8418]2527        """
[0d13814]2528        Standard of multishell poly parameter driver
[aca8418]2529        """
[0d13814]2530        param_name = param.name
2531        # see it the parameter is multishell
[06b0138]2532        if '[' in param.name:
[0d13814]2533            # Skip empty shells
2534            if self.current_shell_displayed == 0:
2535                return
2536            else:
2537                # Create as many entries as current shells
[b3e8629]2538                for ishell in range(1, self.current_shell_displayed+1):
[0d13814]2539                    # Remove [n] and add the shell numeral
2540                    name = param_name[0:param_name.index('[')] + str(ishell)
[e43fc91]2541                    self.addNameToPolyModel(i, name)
[0d13814]2542        else:
2543            # Just create a simple param entry
[e43fc91]2544            self.addNameToPolyModel(i, param_name)
[0d13814]2545
[e43fc91]2546    def addNameToPolyModel(self, i, param_name):
[0d13814]2547        """
2548        Creates a checked row in the poly model with param_name
2549        """
[144ec831]2550        # Polydisp. values from the sasmodel
[0d13814]2551        width = self.kernel_module.getParam(param_name + '.width')
2552        npts = self.kernel_module.getParam(param_name + '.npts')
2553        nsigs = self.kernel_module.getParam(param_name + '.nsigmas')
2554        _, min, max = self.kernel_module.details[param_name]
[144ec831]2555
[66d4370]2556        # Update local param dict
2557        self.poly_params[param_name + '.width'] = width
2558        self.poly_params[param_name + '.npts'] = npts
2559        self.poly_params[param_name + '.nsigmas'] = nsigs
2560
[144ec831]2561        # Construct a row with polydisp. related variable.
2562        # This will get added to the polydisp. model
2563        # Note: last argument needs extra space padding for decent display of the control
[0d13814]2564        checked_list = ["Distribution of " + param_name, str(width),
2565                        str(min), str(max),
[e43fc91]2566                        str(npts), str(nsigs), "gaussian      ",'']
[aca8418]2567        FittingUtilities.addCheckedListToModel(self._poly_model, checked_list)
2568
2569        # All possible polydisp. functions as strings in combobox
[4992ff2]2570        func = QtWidgets.QComboBox()
[b3e8629]2571        func.addItems([str(name_disp) for name_disp in POLYDISPERSITY_MODELS.keys()])
[e43fc91]2572        # Set the default index
[aca8418]2573        func.setCurrentIndex(func.findText(DEFAULT_POLYDISP_FUNCTION))
[e43fc91]2574        ind = self._poly_model.index(i,self.lstPoly.itemDelegate().poly_function)
2575        self.lstPoly.setIndexWidget(ind, func)
2576        func.currentIndexChanged.connect(lambda: self.onPolyComboIndexChange(str(func.currentText()), i))
2577
2578    def onPolyFilenameChange(self, row_index):
2579        """
2580        Respond to filename_updated signal from the delegate
2581        """
2582        # For the given row, invoke the "array" combo handler
2583        array_caption = 'array'
[8222f171]2584
[e43fc91]2585        # Get the combo box reference
2586        ind = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
2587        widget = self.lstPoly.indexWidget(ind)
[8222f171]2588
[e43fc91]2589        # Update the combo box so it displays "array"
2590        widget.blockSignals(True)
2591        widget.setCurrentIndex(self.lstPoly.itemDelegate().POLYDISPERSE_FUNCTIONS.index(array_caption))
2592        widget.blockSignals(False)
[aca8418]2593
[8222f171]2594        # Invoke the file reader
2595        self.onPolyComboIndexChange(array_caption, row_index)
2596
[aca8418]2597    def onPolyComboIndexChange(self, combo_string, row_index):
2598        """
2599        Modify polydisp. defaults on function choice
2600        """
[144ec831]2601        # Get npts/nsigs for current selection
[aca8418]2602        param = self.model_parameters.form_volume_parameters[row_index]
[e43fc91]2603        file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
2604        combo_box = self.lstPoly.indexWidget(file_index)
[aca8418]2605
[919d47c]2606        def updateFunctionCaption(row):
2607            # Utility function for update of polydispersity function name in the main model
[00b7ddf0]2608            if not self.isCheckable(row):
2609                return
[73665a8]2610            self._model_model.blockSignals(True)
[1643d8ed]2611            param_name = str(self._model_model.item(row, 0).text())
[73665a8]2612            self._model_model.blockSignals(False)
[919d47c]2613            if param_name !=  param.name:
2614                return
[144ec831]2615            # Modify the param value
[73665a8]2616            self._model_model.blockSignals(True)
[906e0c7]2617            if self.has_error_column:
2618                # err column changes the indexing
2619                self._model_model.item(row, 0).child(0).child(0,5).setText(combo_string)
2620            else:
2621                self._model_model.item(row, 0).child(0).child(0,4).setText(combo_string)
[73665a8]2622            self._model_model.blockSignals(False)
[919d47c]2623
[aca8418]2624        if combo_string == 'array':
2625            try:
[e43fc91]2626                self.loadPolydispArray(row_index)
[919d47c]2627                # Update main model for display
2628                self.iterateOverModel(updateFunctionCaption)
[e43fc91]2629                # disable the row
2630                lo = self.lstPoly.itemDelegate().poly_pd
2631                hi = self.lstPoly.itemDelegate().poly_function
[b3e8629]2632                [self._poly_model.item(row_index, i).setEnabled(False) for i in range(lo, hi)]
[aca8418]2633                return
[e43fc91]2634            except IOError:
[8222f171]2635                combo_box.setCurrentIndex(self.orig_poly_index)
[e43fc91]2636                # Pass for cancel/bad read
2637                pass
[aca8418]2638
2639        # Enable the row in case it was disabled by Array
[919d47c]2640        self._poly_model.blockSignals(True)
[e43fc91]2641        max_range = self.lstPoly.itemDelegate().poly_filename
[b3e8629]2642        [self._poly_model.item(row_index, i).setEnabled(True) for i in range(7)]
[e43fc91]2643        file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
[b3e8629]2644        self._poly_model.setData(file_index, "")
[919d47c]2645        self._poly_model.blockSignals(False)
[aca8418]2646
[8eaa101]2647        npts_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_npts)
2648        nsigs_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_nsigs)
[aca8418]2649
2650        npts = POLYDISPERSITY_MODELS[str(combo_string)].default['npts']
2651        nsigs = POLYDISPERSITY_MODELS[str(combo_string)].default['nsigmas']
2652
[b3e8629]2653        self._poly_model.setData(npts_index, npts)
2654        self._poly_model.setData(nsigs_index, nsigs)
[aca8418]2655
[919d47c]2656        self.iterateOverModel(updateFunctionCaption)
[8222f171]2657        self.orig_poly_index = combo_box.currentIndex()
[919d47c]2658
[e43fc91]2659    def loadPolydispArray(self, row_index):
[aca8418]2660        """
2661        Show the load file dialog and loads requested data into state
2662        """
[4992ff2]2663        datafile = QtWidgets.QFileDialog.getOpenFileName(
2664            self, "Choose a weight file", "", "All files (*.*)", None,
[fbfc488]2665            QtWidgets.QFileDialog.DontUseNativeDialog)[0]
[72f4834]2666
[fbfc488]2667        if not datafile:
[aca8418]2668            logging.info("No weight data chosen.")
[1643d8ed]2669            raise IOError
[72f4834]2670
[aca8418]2671        values = []
2672        weights = []
[919d47c]2673        def appendData(data_tuple):
2674            """
2675            Fish out floats from a tuple of strings
2676            """
2677            try:
2678                values.append(float(data_tuple[0]))
2679                weights.append(float(data_tuple[1]))
2680            except (ValueError, IndexError):
2681                # just pass through if line with bad data
2682                return
2683
[aca8418]2684        with open(datafile, 'r') as column_file:
2685            column_data = [line.rstrip().split() for line in column_file.readlines()]
[919d47c]2686            [appendData(line) for line in column_data]
[aca8418]2687
[1643d8ed]2688        # If everything went well - update the sasmodel values
[aca8418]2689        self.disp_model = POLYDISPERSITY_MODELS['array']()
2690        self.disp_model.set_weights(np.array(values), np.array(weights))
[e43fc91]2691        # + update the cell with filename
2692        fname = os.path.basename(str(datafile))
2693        fname_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
[b3e8629]2694        self._poly_model.setData(fname_index, fname)
[aca8418]2695
[60af928]2696    def setMagneticModel(self):
2697        """
2698        Set magnetism values on model
2699        """
[86f88d1]2700        if not self.model_parameters:
2701            return
2702        self._magnet_model.clear()
[aca8418]2703        [self.addCheckedMagneticListToModel(param, self._magnet_model) for param in \
[06b0138]2704            self.model_parameters.call_parameters if param.type == 'magnetic']
[4d457df]2705        FittingUtilities.addHeadersToModel(self._magnet_model)
[60af928]2706
[0d13814]2707    def shellNamesList(self):
2708        """
2709        Returns list of names of all multi-shell parameters
2710        E.g. for sld[n], radius[n], n=1..3 it will return
2711        [sld1, sld2, sld3, radius1, radius2, radius3]
2712        """
2713        multi_names = [p.name[:p.name.index('[')] for p in self.model_parameters.iq_parameters if '[' in p.name]
2714        top_index = self.kernel_module.multiplicity_info.number
2715        shell_names = []
[b3e8629]2716        for i in range(1, top_index+1):
[0d13814]2717            for name in multi_names:
2718                shell_names.append(name+str(i))
2719        return shell_names
2720
[aca8418]2721    def addCheckedMagneticListToModel(self, param, model):
2722        """
2723        Wrapper for model update with a subset of magnetic parameters
2724        """
[0d13814]2725        if param.name[param.name.index(':')+1:] in self.shell_names:
2726            # check if two-digit shell number
2727            try:
2728                shell_index = int(param.name[-2:])
2729            except ValueError:
2730                shell_index = int(param.name[-1:])
2731
2732            if shell_index > self.current_shell_displayed:
2733                return
2734
[aca8418]2735        checked_list = [param.name,
2736                        str(param.default),
2737                        str(param.limits[0]),
2738                        str(param.limits[1]),
2739                        param.units]
2740
[66d4370]2741        self.magnet_params[param.name] = param.default
2742
[aca8418]2743        FittingUtilities.addCheckedListToModel(model, checked_list)
2744
[fd1ae6d1]2745    def enableStructureFactorControl(self, structure_factor):
[cd31251]2746        """
2747        Add structure factors to the list of parameters
2748        """
[fd1ae6d1]2749        if self.kernel_module.is_form_factor or structure_factor == 'None':
[cd31251]2750            self.enableStructureCombo()
2751        else:
2752            self.disableStructureCombo()
2753
[60af928]2754    def addExtraShells(self):
2755        """
[f46f6dc]2756        Add a combobox for multiple shell display
[60af928]2757        """
[4d457df]2758        param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters)
[f46f6dc]2759
2760        if param_length == 0:
2761            return
2762
[6f7f652]2763        # cell 1: variable name
[f46f6dc]2764        item1 = QtGui.QStandardItem(param_name)
2765
[4992ff2]2766        func = QtWidgets.QComboBox()
[b1e36a3]2767        # Available range of shells displayed in the combobox
[b3e8629]2768        func.addItems([str(i) for i in range(param_length+1)])
[a9b568c]2769
[b1e36a3]2770        # Respond to index change
[86f88d1]2771        func.currentIndexChanged.connect(self.modifyShellsInList)
[60af928]2772
[6f7f652]2773        # cell 2: combobox
[f46f6dc]2774        item2 = QtGui.QStandardItem()
2775        self._model_model.appendRow([item1, item2])
[60af928]2776
[6f7f652]2777        # Beautify the row:  span columns 2-4
[60af928]2778        shell_row = self._model_model.rowCount()
[f46f6dc]2779        shell_index = self._model_model.index(shell_row-1, 1)
[86f88d1]2780
[4d457df]2781        self.lstParams.setIndexWidget(shell_index, func)
[70f4458]2782        self._n_shells_row = shell_row - 1
[86f88d1]2783
[a9b568c]2784        # Set the index to the state-kept value
2785        func.setCurrentIndex(self.current_shell_displayed
2786                             if self.current_shell_displayed < func.count() else 0)
2787
[86f88d1]2788    def modifyShellsInList(self, index):
2789        """
2790        Add/remove additional multishell parameters
2791        """
2792        # Find row location of the combobox
[70f4458]2793        first_row = self._n_shells_row + 1
2794        remove_rows = self._num_shell_params
[86f88d1]2795
2796        if remove_rows > 1:
[70f4458]2797            self._model_model.removeRows(first_row, remove_rows)
2798
[b69b549]2799        new_rows = FittingUtilities.addShellsToModel(
[88ada06]2800                self.model_parameters,
2801                self._model_model,
[a758043]2802                index,
[b69b549]2803                first_row,
[a758043]2804                self.lstParams)
[86f88d1]2805
[b69b549]2806        self._num_shell_params = len(new_rows)
[a9b568c]2807        self.current_shell_displayed = index
[60af928]2808
[0d13814]2809        # Update relevant models
2810        self.setPolyModel()
2811        self.setMagneticModel()
2812
[14ec91c5]2813    def setFittingStarted(self):
2814        """
[ded5e77]2815        Set buttion caption on fitting start
[14ec91c5]2816        """
[ded5e77]2817        # Notify the user that fitting is being run
2818        # Allow for stopping the job
2819        self.cmdFit.setStyleSheet('QPushButton {color: red;}')
2820        self.cmdFit.setText('Stop fit')
[14ec91c5]2821
2822    def setFittingStopped(self):
2823        """
[ded5e77]2824        Set button caption on fitting stop
[14ec91c5]2825        """
[ded5e77]2826        # Notify the user that fitting is available
2827        self.cmdFit.setStyleSheet('QPushButton {color: black;}')
[14ec91c5]2828        self.cmdFit.setText("Fit")
[ded5e77]2829        self.fit_started = False
[14ec91c5]2830
[672b8ab]2831    def readFitPage(self, fp):
2832        """
2833        Read in state from a fitpage object and update GUI
2834        """
2835        assert isinstance(fp, FitPage)
2836        # Main tab info
2837        self.logic.data.filename = fp.filename
2838        self.data_is_loaded = fp.data_is_loaded
2839        self.chkPolydispersity.setCheckState(fp.is_polydisperse)
2840        self.chkMagnetism.setCheckState(fp.is_magnetic)
2841        self.chk2DView.setCheckState(fp.is2D)
2842
2843        # Update the comboboxes
2844        self.cbCategory.setCurrentIndex(self.cbCategory.findText(fp.current_category))
2845        self.cbModel.setCurrentIndex(self.cbModel.findText(fp.current_model))
2846        if fp.current_factor:
2847            self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(fp.current_factor))
2848
2849        self.chi2 = fp.chi2
2850
2851        # Options tab
2852        self.q_range_min = fp.fit_options[fp.MIN_RANGE]
2853        self.q_range_max = fp.fit_options[fp.MAX_RANGE]
2854        self.npts = fp.fit_options[fp.NPTS]
2855        self.log_points = fp.fit_options[fp.LOG_POINTS]
2856        self.weighting = fp.fit_options[fp.WEIGHTING]
2857
2858        # Models
[d60da0c]2859        self._model_model = fp.model_model
2860        self._poly_model = fp.poly_model
2861        self._magnet_model = fp.magnetism_model
[672b8ab]2862
2863        # Resolution tab
2864        smearing = fp.smearing_options[fp.SMEARING_OPTION]
2865        accuracy = fp.smearing_options[fp.SMEARING_ACCURACY]
2866        smearing_min = fp.smearing_options[fp.SMEARING_MIN]
2867        smearing_max = fp.smearing_options[fp.SMEARING_MAX]
2868        self.smearing_widget.setState(smearing, accuracy, smearing_min, smearing_max)
2869
2870        # TODO: add polidyspersity and magnetism
2871
2872    def saveToFitPage(self, fp):
2873        """
2874        Write current state to the given fitpage
2875        """
2876        assert isinstance(fp, FitPage)
2877
2878        # Main tab info
2879        fp.filename = self.logic.data.filename
2880        fp.data_is_loaded = self.data_is_loaded
2881        fp.is_polydisperse = self.chkPolydispersity.isChecked()
2882        fp.is_magnetic = self.chkMagnetism.isChecked()
2883        fp.is2D = self.chk2DView.isChecked()
2884        fp.data = self.data
2885
2886        # Use current models - they contain all the required parameters
2887        fp.model_model = self._model_model
2888        fp.poly_model = self._poly_model
2889        fp.magnetism_model = self._magnet_model
2890
2891        if self.cbCategory.currentIndex() != 0:
2892            fp.current_category = str(self.cbCategory.currentText())
2893            fp.current_model = str(self.cbModel.currentText())
2894
2895        if self.cbStructureFactor.isEnabled() and self.cbStructureFactor.currentIndex() != 0:
2896            fp.current_factor = str(self.cbStructureFactor.currentText())
2897        else:
2898            fp.current_factor = ''
2899
2900        fp.chi2 = self.chi2
[6dbff18]2901        fp.main_params_to_fit = self.main_params_to_fit
2902        fp.poly_params_to_fit = self.poly_params_to_fit
2903        fp.magnet_params_to_fit = self.magnet_params_to_fit
[6964d44]2904        fp.kernel_module = self.kernel_module
[672b8ab]2905
[6ff2eb3]2906        # Algorithm options
2907        # fp.algorithm = self.parent.fit_options.selected_id
2908
[672b8ab]2909        # Options tab
2910        fp.fit_options[fp.MIN_RANGE] = self.q_range_min
2911        fp.fit_options[fp.MAX_RANGE] = self.q_range_max
2912        fp.fit_options[fp.NPTS] = self.npts
2913        #fp.fit_options[fp.NPTS_FIT] = self.npts_fit
2914        fp.fit_options[fp.LOG_POINTS] = self.log_points
2915        fp.fit_options[fp.WEIGHTING] = self.weighting
2916
2917        # Resolution tab
2918        smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state()
2919        fp.smearing_options[fp.SMEARING_OPTION] = smearing
2920        fp.smearing_options[fp.SMEARING_ACCURACY] = accuracy
2921        fp.smearing_options[fp.SMEARING_MIN] = smearing_min
2922        fp.smearing_options[fp.SMEARING_MAX] = smearing_max
2923
2924        # TODO: add polidyspersity and magnetism
2925
[00b3b40]2926    def updateUndo(self):
2927        """
2928        Create a new state page and add it to the stack
2929        """
2930        if self.undo_supported:
2931            self.pushFitPage(self.currentState())
2932
[672b8ab]2933    def currentState(self):
2934        """
2935        Return fit page with current state
2936        """
2937        new_page = FitPage()
2938        self.saveToFitPage(new_page)
2939
2940        return new_page
2941
2942    def pushFitPage(self, new_page):
2943        """
2944        Add a new fit page object with current state
2945        """
[6011788]2946        self.page_stack.append(new_page)
[672b8ab]2947
2948    def popFitPage(self):
2949        """
2950        Remove top fit page from stack
2951        """
[6011788]2952        if self.page_stack:
2953            self.page_stack.pop()
[672b8ab]2954
[57be490]2955    def getReport(self):
2956        """
2957        Create and return HTML report with parameters and charts
2958        """
2959        index = None
2960        if self.all_data:
2961            index = self.all_data[self.data_index]
[cb90b65]2962        else:
2963            index = self.theory_item
[57be490]2964        report_logic = ReportPageLogic(self,
2965                                       kernel_module=self.kernel_module,
2966                                       data=self.data,
2967                                       index=index,
2968                                       model=self._model_model)
2969
2970        return report_logic.reportList()
2971
2972    def savePageState(self):
2973        """
2974        Create and serialize local PageState
2975        """
2976        from sas.sascalc.fit.pagestate import Reader
2977        model = self.kernel_module
2978
2979        # Old style PageState object
2980        state = PageState(model=model, data=self.data)
2981
2982        # Add parameter data to the state
2983        self.getCurrentFitState(state)
2984
2985        # Create the filewriter, aptly named 'Reader'
2986        state_reader = Reader(self.loadPageStateCallback)
2987        filepath = self.saveAsAnalysisFile()
[10fee37]2988        if filepath is None or filepath == "":
[57be490]2989            return
2990        state_reader.write(filename=filepath, fitstate=state)
2991        pass
2992
2993    def saveAsAnalysisFile(self):
2994        """
2995        Show the save as... dialog and return the chosen filepath
2996        """
2997        default_name = "FitPage"+str(self.tab_id)+".fitv"
2998
2999        wildcard = "fitv files (*.fitv)"
3000        kwargs = {
3001            'caption'   : 'Save As',
3002            'directory' : default_name,
3003            'filter'    : wildcard,
3004            'parent'    : None,
3005        }
3006        # Query user for filename.
3007        filename_tuple = QtWidgets.QFileDialog.getSaveFileName(**kwargs)
3008        filename = filename_tuple[0]
3009        return filename
3010
3011    def loadPageStateCallback(self,state=None, datainfo=None, format=None):
3012        """
3013        This is a callback method called from the CANSAS reader.
3014        We need the instance of this reader only for writing out a file,
3015        so there's nothing here.
3016        Until Load Analysis is implemented, that is.
3017        """
3018        pass
3019
3020    def loadPageState(self, pagestate=None):
3021        """
3022        Load the PageState object and update the current widget
3023        """
3024        pass
3025
3026    def getCurrentFitState(self, state=None):
3027        """
3028        Store current state for fit_page
3029        """
3030        # save model option
3031        #if self.model is not None:
3032        #    self.disp_list = self.getDispParamList()
3033        #    state.disp_list = copy.deepcopy(self.disp_list)
3034        #    #state.model = self.model.clone()
3035
3036        # Comboboxes
3037        state.categorycombobox = self.cbCategory.currentText()
3038        state.formfactorcombobox = self.cbModel.currentText()
3039        if self.cbStructureFactor.isEnabled():
[10fee37]3040            state.structurecombobox = self.cbStructureFactor.currentText()
[57be490]3041        state.tcChi = self.chi2
3042
3043        state.enable2D = self.is2D
3044
3045        #state.weights = copy.deepcopy(self.weights)
3046        # save data
3047        state.data = copy.deepcopy(self.data)
3048
3049        # save plotting range
3050        state.qmin = self.q_range_min
3051        state.qmax = self.q_range_max
3052        state.npts = self.npts
3053
3054        #    self.state.enable_disp = self.enable_disp.GetValue()
3055        #    self.state.disable_disp = self.disable_disp.GetValue()
3056
3057        #    self.state.enable_smearer = \
3058        #                        copy.deepcopy(self.enable_smearer.GetValue())
3059        #    self.state.disable_smearer = \
3060        #                        copy.deepcopy(self.disable_smearer.GetValue())
3061
3062        #self.state.pinhole_smearer = \
3063        #                        copy.deepcopy(self.pinhole_smearer.GetValue())
3064        #self.state.slit_smearer = copy.deepcopy(self.slit_smearer.GetValue())
3065        #self.state.dI_noweight = copy.deepcopy(self.dI_noweight.GetValue())
3066        #self.state.dI_didata = copy.deepcopy(self.dI_didata.GetValue())
3067        #self.state.dI_sqrdata = copy.deepcopy(self.dI_sqrdata.GetValue())
3068        #self.state.dI_idata = copy.deepcopy(self.dI_idata.GetValue())
3069
3070        p = self.model_parameters
3071        # save checkbutton state and txtcrtl values
[10fee37]3072        state.parameters = FittingUtilities.getStandardParam(self._model_model)
3073        state.orientation_params_disp = FittingUtilities.getOrientationParam(self.kernel_module)
[57be490]3074
3075        #self._copy_parameters_state(self.orientation_params_disp, self.state.orientation_params_disp)
3076        #self._copy_parameters_state(self.parameters, self.state.parameters)
3077        #self._copy_parameters_state(self.fittable_param, self.state.fittable_param)
3078        #self._copy_parameters_state(self.fixed_param, self.state.fixed_param)
3079
[8e2cd79]3080    def onParameterCopy(self, format=None):
3081        """
3082        Copy current parameters into the clipboard
3083        """
3084        # run a loop over all parameters and pull out
3085        # first - regular params
3086        param_list = []
[0eff615]3087
3088        param_list.append(['model_name', str(self.cbModel.currentText())])
[8e2cd79]3089        def gatherParams(row):
3090            """
3091            Create list of main parameters based on _model_model
3092            """
3093            param_name = str(self._model_model.item(row, 0).text())
3094            param_checked = str(self._model_model.item(row, 0).checkState() == QtCore.Qt.Checked)
3095            param_value = str(self._model_model.item(row, 1).text())
3096            param_error = None
3097            column_offset = 0
3098            if self.has_error_column:
3099                param_error = str(self._model_model.item(row, 2).text())
3100                column_offset = 1
3101            param_min = str(self._model_model.item(row, 2+column_offset).text())
3102            param_max = str(self._model_model.item(row, 3+column_offset).text())
3103            param_list.append([param_name, param_checked, param_value, param_error, param_min, param_max])
3104
3105        def gatherPolyParams(row):
3106            """
3107            Create list of polydisperse parameters based on _poly_model
3108            """
3109            param_name = str(self._poly_model.item(row, 0).text()).split()[-1]
3110            param_checked = str(self._poly_model.item(row, 0).checkState() == QtCore.Qt.Checked)
3111            param_value = str(self._poly_model.item(row, 1).text())
3112            param_error = None
3113            column_offset = 0
3114            if self.has_poly_error_column:
3115                param_error = str(self._poly_model.item(row, 2).text())
3116                column_offset = 1
3117            param_min   = str(self._poly_model.item(row, 2+column_offset).text())
3118            param_max   = str(self._poly_model.item(row, 3+column_offset).text())
3119            param_npts  = str(self._poly_model.item(row, 4+column_offset).text())
3120            param_nsigs = str(self._poly_model.item(row, 5+column_offset).text())
3121            param_fun   = str(self._poly_model.item(row, 6+column_offset).text()).rstrip()
3122            # width
3123            name = param_name+".width"
3124            param_list.append([name, param_checked, param_value, param_error,
3125                                param_npts, param_nsigs, param_min, param_max, param_fun])
3126
3127        def gatherMagnetParams(row):
3128            """
3129            Create list of magnetic parameters based on _magnet_model
3130            """
3131            param_name = str(self._magnet_model.item(row, 0).text())
3132            param_checked = str(self._magnet_model.item(row, 0).checkState() == QtCore.Qt.Checked)
3133            param_value = str(self._magnet_model.item(row, 1).text())
3134            param_error = None
3135            column_offset = 0
3136            if self.has_magnet_error_column:
3137                param_error = str(self._magnet_model.item(row, 2).text())
3138                column_offset = 1
3139            param_min = str(self._magnet_model.item(row, 2+column_offset).text())
3140            param_max = str(self._magnet_model.item(row, 3+column_offset).text())
3141            param_list.append([param_name, param_checked, param_value, param_error, param_min, param_max])
3142
3143        self.iterateOverModel(gatherParams)
3144        if self.chkPolydispersity.isChecked():
3145            self.iterateOverPolyModel(gatherPolyParams)
3146        if self.chkMagnetism.isChecked() and self.chkMagnetism.isEnabled():
[b259485]3147            self.iterateOverMagnetModel(gatherMagnetParams)
[8e2cd79]3148
3149        if format=="":
3150            formatted_output = FittingUtilities.formatParameters(param_list)
3151        elif format == "Excel":
3152            formatted_output = FittingUtilities.formatParametersExcel(param_list)
3153        elif format == "Latex":
3154            formatted_output = FittingUtilities.formatParametersLatex(param_list)
3155        else:
3156            raise AttributeError("Bad format specifier.")
3157
3158        # Dump formatted_output to the clipboard
3159        cb = QtWidgets.QApplication.clipboard()
3160        cb.setText(formatted_output)
3161
3162    def onParameterPaste(self):
3163        """
3164        Use the clipboard to update fit state
3165        """
3166        # Check if the clipboard contains right stuff
3167        cb = QtWidgets.QApplication.clipboard()
3168        cb_text = cb.text()
3169
3170        context = {}
3171        # put the text into dictionary
3172        lines = cb_text.split(':')
3173        if lines[0] != 'sasview_parameter_values':
3174            return False
[0eff615]3175
3176        model = lines[1].split(',')
3177
3178        if model[0] != 'model_name':
3179            return False
3180
3181        context['model_name'] = [model[1]]
3182        for line in lines[2:-1]:
[8e2cd79]3183            if len(line) != 0:
3184                item = line.split(',')
3185                check = item[1]
3186                name = item[0]
3187                value = item[2]
3188                # Transfer the text to content[dictionary]
3189                context[name] = [check, value]
3190
3191                # limits
3192                limit_lo = item[3]
3193                context[name].append(limit_lo)
3194                limit_hi = item[4]
3195                context[name].append(limit_hi)
3196
3197                # Polydisp
3198                if len(item) > 5:
3199                    value = item[5]
3200                    context[name].append(value)
3201                    try:
3202                        value = item[6]
3203                        context[name].append(value)
3204                        value = item[7]
3205                        context[name].append(value)
3206                    except IndexError:
3207                        pass
3208
[0eff615]3209        if str(self.cbModel.currentText()) != str(context['model_name'][0]):
3210            msg = QtWidgets.QMessageBox()
3211            msg.setIcon(QtWidgets.QMessageBox.Information)
3212            msg.setText("The model in the clipboard is not the same as the currently loaded model. \
3213                         Not all parameters saved may paste correctly.")
3214            msg.setStandardButtons(QtWidgets.QMessageBox.Ok | QtWidgets.QMessageBox.Cancel)
3215            result = msg.exec_()
3216            if result == QtWidgets.QMessageBox.Ok:
3217                pass
3218            else:
3219                return
3220
[8e2cd79]3221        self.updateFullModel(context)
3222        self.updateFullPolyModel(context)
3223
3224    def updateFullModel(self, param_dict):
3225        """
3226        Update the model with new parameters
3227        """
3228        assert isinstance(param_dict, dict)
3229        if not dict:
3230            return
3231
3232        def updateFittedValues(row):
3233            # Utility function for main model update
3234            # internal so can use closure for param_dict
3235            param_name = str(self._model_model.item(row, 0).text())
3236            if param_name not in list(param_dict.keys()):
3237                return
3238            # checkbox state
3239            param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked
3240            self._model_model.item(row, 0).setCheckState(param_checked)
3241
3242            # modify the param value
3243            param_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
3244            self._model_model.item(row, 1).setText(param_repr)
3245
3246            # Potentially the error column
3247            ioffset = 0
3248            if len(param_dict[param_name])>4 and self.has_error_column:
3249                # error values are not editable - no need to update
3250                #error_repr = GuiUtils.formatNumber(param_dict[param_name][2], high=True)
3251                #self._model_model.item(row, 2).setText(error_repr)
3252                ioffset = 1
3253            # min/max
3254            param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True)
3255            self._model_model.item(row, 2+ioffset).setText(param_repr)
3256            param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True)
3257            self._model_model.item(row, 3+ioffset).setText(param_repr)
[0eff615]3258            self.setFocus()
3259
[8e2cd79]3260
3261        # block signals temporarily, so we don't end up
3262        # updating charts with every single model change on the end of fitting
3263        self._model_model.blockSignals(True)
3264        self.iterateOverModel(updateFittedValues)
3265        self._model_model.blockSignals(False)
3266
[0eff615]3267
[8e2cd79]3268    def updateFullPolyModel(self, param_dict):
3269        """
3270        Update the polydispersity model with new parameters, create the errors column
3271        """
3272        assert isinstance(param_dict, dict)
3273        if not dict:
3274            return
3275
3276        def updateFittedValues(row):
3277            # Utility function for main model update
3278            # internal so can use closure for param_dict
3279            if row >= self._poly_model.rowCount():
3280                return
3281            param_name = str(self._poly_model.item(row, 0).text()).rsplit()[-1] + '.width'
3282            if param_name not in list(param_dict.keys()):
3283                return
3284            # checkbox state
3285            param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked
3286            self._poly_model.item(row,0).setCheckState(param_checked)
3287
3288            # modify the param value
3289            param_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
3290            self._poly_model.item(row, 1).setText(param_repr)
3291
3292            # Potentially the error column
3293            ioffset = 0
3294            if len(param_dict[param_name])>4 and self.has_poly_error_column:
3295                ioffset = 1
3296            # min
3297            param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True)
3298            self._poly_model.item(row, 2+ioffset).setText(param_repr)
3299            # max
3300            param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True)
3301            self._poly_model.item(row, 3+ioffset).setText(param_repr)
3302            # Npts
3303            param_repr = GuiUtils.formatNumber(param_dict[param_name][4+ioffset], high=True)
3304            self._poly_model.item(row, 4+ioffset).setText(param_repr)
3305            # Nsigs
3306            param_repr = GuiUtils.formatNumber(param_dict[param_name][5+ioffset], high=True)
3307            self._poly_model.item(row, 5+ioffset).setText(param_repr)
3308
3309            param_repr = GuiUtils.formatNumber(param_dict[param_name][5+ioffset], high=True)
3310            self._poly_model.item(row, 5+ioffset).setText(param_repr)
[0eff615]3311            self.setFocus()
[8e2cd79]3312
3313        # block signals temporarily, so we don't end up
3314        # updating charts with every single model change on the end of fitting
3315        self._poly_model.blockSignals(True)
3316        self.iterateOverPolyModel(updateFittedValues)
3317        self._poly_model.blockSignals(False)
3318
[339e22b]3319
3320
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