source: sasview/src/sas/qtgui/Perspectives/Fitting/FittingWidget.py @ 6b43c58

Last change on this file since 6b43c58 was 02f1d12, checked in by Tim Snow <tim.snow@…>, 7 years ago

Magnetism fixes

Made the magnetism parameters editable along with setting the correct parameters for these to be pushed to the calculations.

  • Property mode set to 100644
File size: 72.1 KB
RevLine 
[60af928]1import json
[cd31251]2import os
[60af928]3from collections import defaultdict
[454670d]4from itertools import izip
[60af928]5
[5236449]6import logging
7import traceback
[cbcdd2c]8from twisted.internet import threads
[1bc27f1]9import numpy as np
[5236449]10
[60af928]11from PyQt4 import QtGui
12from PyQt4 import QtCore
[2add354]13from PyQt4 import QtWebKit
[60af928]14
[5d1440e1]15from sasmodels import product
[60af928]16from sasmodels import generate
17from sasmodels import modelinfo
[5236449]18from sasmodels.sasview_model import load_standard_models
[358b39d]19from sasmodels.weights import MODELS as POLYDISPERSITY_MODELS
20
[f182f93]21from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit
[5236449]22
[83eb5208]23import sas.qtgui.Utilities.GuiUtils as GuiUtils
[dc5ef15]24from sas.qtgui.Utilities.CategoryInstaller import CategoryInstaller
25from sas.qtgui.Plotting.PlotterData import Data1D
26from sas.qtgui.Plotting.PlotterData import Data2D
[5236449]27
[1bc27f1]28from sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI import Ui_FittingWidgetUI
[dc5ef15]29from sas.qtgui.Perspectives.Fitting.FitThread import FitThread
[7adc2a8]30from sas.qtgui.Perspectives.Fitting.ConsoleUpdate import ConsoleUpdate
31
[dc5ef15]32from sas.qtgui.Perspectives.Fitting.ModelThread import Calc1D
33from sas.qtgui.Perspectives.Fitting.ModelThread import Calc2D
[4d457df]34from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic
35from sas.qtgui.Perspectives.Fitting import FittingUtilities
[1bc27f1]36from sas.qtgui.Perspectives.Fitting.SmearingWidget import SmearingWidget
37from sas.qtgui.Perspectives.Fitting.OptionsWidget import OptionsWidget
38from sas.qtgui.Perspectives.Fitting.FitPage import FitPage
[ad6b4e2]39from sas.qtgui.Perspectives.Fitting.ViewDelegate import ModelViewDelegate
[6011788]40from sas.qtgui.Perspectives.Fitting.ViewDelegate import PolyViewDelegate
[b00414d]41from sas.qtgui.Perspectives.Fitting.ViewDelegate import MagnetismViewDelegate
[60af928]42
[8222f171]43
[60af928]44TAB_MAGNETISM = 4
45TAB_POLY = 3
[cbcdd2c]46CATEGORY_DEFAULT = "Choose category..."
[4d457df]47CATEGORY_STRUCTURE = "Structure Factor"
[351b53e]48STRUCTURE_DEFAULT = "None"
[60af928]49
[358b39d]50DEFAULT_POLYDISP_FUNCTION = 'gaussian'
51
[377ade1]52USING_TWISTED = True
[7adc2a8]53
[13cd397]54class ToolTippedItemModel(QtGui.QStandardItemModel):
[f54ce30]55    """
56    Subclass from QStandardItemModel to allow displaying tooltips in
57    QTableView model.
58    """
[d0dfcb2]59    def __init__(self, parent=None):
[13cd397]60        QtGui.QStandardItemModel.__init__(self,parent)
61
62    def headerData(self, section, orientation, role):
[f54ce30]63        """
64        Displays tooltip for each column's header
65        :param section:
66        :param orientation:
67        :param role:
68        :return:
69        """
[13cd397]70        if role == QtCore.Qt.ToolTipRole:
71            if orientation == QtCore.Qt.Horizontal:
[a95c44b]72                return QtCore.QString(str(self.header_tooltips[section]))
[ca7c6bd]73
[a95c44b]74        return QtGui.QStandardItemModel.headerData(self, section, orientation, role)
[13cd397]75
[60af928]76class FittingWidget(QtGui.QWidget, Ui_FittingWidgetUI):
77    """
[f46f6dc]78    Main widget for selecting form and structure factor models
[60af928]79    """
[1bc27f1]80    def __init__(self, parent=None, data=None, tab_id=1):
[60af928]81
82        super(FittingWidget, self).__init__()
83
[86f88d1]84        # Necessary globals
[cbcdd2c]85        self.parent = parent
[2a432e7]86
87        # Which tab is this widget displayed in?
88        self.tab_id = tab_id
89
90        # Main Data[12]D holder
[ee18d33]91        self.logic = FittingLogic()
[2a432e7]92
93        # Globals
94        self.initializeGlobals()
95
96        # Main GUI setup up
97        self.setupUi(self)
98        self.setWindowTitle("Fitting")
99
100        # Set up tabs widgets
101        self.initializeWidgets()
102
103        # Set up models and views
104        self.initializeModels()
105
106        # Defaults for the structure factors
107        self.setDefaultStructureCombo()
108
109        # Make structure factor and model CBs disabled
110        self.disableModelCombo()
111        self.disableStructureCombo()
112
113        # Generate the category list for display
114        self.initializeCategoryCombo()
115
116        # Connect signals to controls
117        self.initializeSignals()
118
119        # Initial control state
120        self.initializeControls()
121
122        # Display HTML content
123        self.helpView = QtWebKit.QWebView()
124
[457d961]125        # New font to display angstrom symbol
126        new_font = 'font-family: -apple-system, "Helvetica Neue", "Ubuntu";'
127        self.label_17.setStyleSheet(new_font)
128        self.label_19.setStyleSheet(new_font)
129
[2a432e7]130        self._index = None
131        if data is not None:
132            self.data = data
133
134    def close(self):
135        """
136        Remember to kill off things on exit
137        """
138        self.helpView.close()
139        del self.helpView
140
141    @property
142    def data(self):
143        return self.logic.data
144
145    @data.setter
146    def data(self, value):
147        """ data setter """
[f7d14a1]148        # Value is either a list of indices for batch fitting or a simple index
149        # for standard fitting. Assure we have a list, regardless.
[ee18d33]150        if isinstance(value, list):
151            self.is_batch_fitting = True
152        else:
153            value = [value]
154
155        assert isinstance(value[0], QtGui.QStandardItem)
[2a432e7]156        # _index contains the QIndex with data
[ee18d33]157        self._index = value[0]
158
159        # Keep reference to all datasets for batch
160        self.all_data = value
[2a432e7]161
162        # Update logics with data items
[f7d14a1]163        # Logics.data contains only a single Data1D/Data2D object
[ee18d33]164        self.logic.data = GuiUtils.dataFromItem(value[0])
[2a432e7]165
166        # Overwrite data type descriptor
167        self.is2D = True if isinstance(self.logic.data, Data2D) else False
168
[f7d14a1]169        # Let others know we're full of data now
[2a432e7]170        self.data_is_loaded = True
171
172        # Enable/disable UI components
173        self.setEnablementOnDataLoad()
174
175    def initializeGlobals(self):
176        """
177        Initialize global variables used in this class
178        """
[cbcdd2c]179        # SasModel is loaded
[60af928]180        self.model_is_loaded = False
[cbcdd2c]181        # Data[12]D passed and set
[5236449]182        self.data_is_loaded = False
[ee18d33]183        # Batch/single fitting
184        self.is_batch_fitting = False
[cbcdd2c]185        # Current SasModel in view
[5236449]186        self.kernel_module = None
[cbcdd2c]187        # Current SasModel view dimension
[60af928]188        self.is2D = False
[cbcdd2c]189        # Current SasModel is multishell
[86f88d1]190        self.model_has_shells = False
[cbcdd2c]191        # Utility variable to enable unselectable option in category combobox
[86f88d1]192        self._previous_category_index = 0
[cbcdd2c]193        # Utility variable for multishell display
[86f88d1]194        self._last_model_row = 0
[cbcdd2c]195        # Dictionary of {model name: model class} for the current category
[5236449]196        self.models = {}
[f182f93]197        # Parameters to fit
198        self.parameters_to_fit = None
[180bd54]199        # Fit options
200        self.q_range_min = 0.005
201        self.q_range_max = 0.1
202        self.npts = 25
203        self.log_points = False
204        self.weighting = 0
[2add354]205        self.chi2 = None
[6011788]206        # Does the control support UNDO/REDO
207        # temporarily off
[2241130]208        self.undo_supported = False
209        self.page_stack = []
[377ade1]210        self.all_data = []
[8222f171]211        # Polydisp widget table default index for function combobox
212        self.orig_poly_index = 3
[6011788]213
[d48cc19]214        # Data for chosen model
215        self.model_data = None
216
[a9b568c]217        # Which shell is being currently displayed?
218        self.current_shell_displayed = 0
[0d13814]219        # List of all shell-unique parameters
220        self.shell_names = []
[b00414d]221
222        # Error column presence in parameter display
[f182f93]223        self.has_error_column = False
[aca8418]224        self.has_poly_error_column = False
[b00414d]225        self.has_magnet_error_column = False
[a9b568c]226
[2a432e7]227        # signal communicator
[cbcdd2c]228        self.communicate = self.parent.communicate
[60af928]229
[2a432e7]230    def initializeWidgets(self):
231        """
232        Initialize widgets for tabs
233        """
[180bd54]234        # Options widget
235        layout = QtGui.QGridLayout()
236        self.options_widget = OptionsWidget(self, self.logic)
[1bc27f1]237        layout.addWidget(self.options_widget)
[180bd54]238        self.tabOptions.setLayout(layout)
239
[e1e3e09]240        # Smearing widget
241        layout = QtGui.QGridLayout()
242        self.smearing_widget = SmearingWidget(self)
[1bc27f1]243        layout.addWidget(self.smearing_widget)
[180bd54]244        self.tabResolution.setLayout(layout)
[e1e3e09]245
[b1e36a3]246        # Define bold font for use in various controls
[1bc27f1]247        self.boldFont = QtGui.QFont()
[a0f5c36]248        self.boldFont.setBold(True)
249
250        # Set data label
[b1e36a3]251        self.label.setFont(self.boldFont)
252        self.label.setText("No data loaded")
253        self.lblFilename.setText("")
254
[6ff2eb3]255        # Magnetic angles explained in one picture
256        self.magneticAnglesWidget = QtGui.QWidget()
257        labl = QtGui.QLabel(self.magneticAnglesWidget)
258        pixmap = QtGui.QPixmap(GuiUtils.IMAGES_DIRECTORY_LOCATION + '/M_angles_pic.bmp')
259        labl.setPixmap(pixmap)
260        self.magneticAnglesWidget.setFixedSize(pixmap.width(), pixmap.height())
261
[2a432e7]262    def initializeModels(self):
263        """
264        Set up models and views
265        """
[86f88d1]266        # Set the main models
[cd31251]267        # We can't use a single model here, due to restrictions on flattening
268        # the model tree with subclassed QAbstractProxyModel...
[13cd397]269        self._model_model = ToolTippedItemModel()
270        self._poly_model = ToolTippedItemModel()
271        self._magnet_model = ToolTippedItemModel()
[60af928]272
273        # Param model displayed in param list
274        self.lstParams.setModel(self._model_model)
[5236449]275        self.readCategoryInfo()
[60af928]276        self.model_parameters = None
[ad6b4e2]277
278        # Delegates for custom editing and display
279        self.lstParams.setItemDelegate(ModelViewDelegate(self))
280
[86f88d1]281        self.lstParams.setAlternatingRowColors(True)
[61a92d4]282        stylesheet = """
[457d961]283
284            QTreeView {
285                paint-alternating-row-colors-for-empty-area:0;
286            }
287
[2a432e7]288            QTreeView::item:hover {
289                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #e7effd, stop: 1 #cbdaf1);
290                border: 1px solid #bfcde4;
[61a92d4]291            }
[2a432e7]292
293            QTreeView::item:selected {
294                border: 1px solid #567dbc;
295            }
296
297            QTreeView::item:selected:active{
298                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6ea1f1, stop: 1 #567dbc);
299            }
300
301            QTreeView::item:selected:!active {
302                background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6b9be8, stop: 1 #577fbf);
303            }
304           """
[61a92d4]305        self.lstParams.setStyleSheet(stylesheet)
[672b8ab]306        self.lstParams.setContextMenuPolicy(QtCore.Qt.CustomContextMenu)
[2add354]307        self.lstParams.customContextMenuRequested.connect(self.showModelDescription)
[457d961]308        self.lstParams.setAttribute(QtCore.Qt.WA_MacShowFocusRect, False)
[60af928]309
310        # Poly model displayed in poly list
[811bec1]311        self.lstPoly.setModel(self._poly_model)
[60af928]312        self.setPolyModel()
313        self.setTableProperties(self.lstPoly)
[6011788]314        # Delegates for custom editing and display
[aca8418]315        self.lstPoly.setItemDelegate(PolyViewDelegate(self))
316        # Polydispersity function combo response
317        self.lstPoly.itemDelegate().combo_updated.connect(self.onPolyComboIndexChange)
[e43fc91]318        self.lstPoly.itemDelegate().filename_updated.connect(self.onPolyFilenameChange)
[60af928]319
320        # Magnetism model displayed in magnetism list
321        self.lstMagnetic.setModel(self._magnet_model)
322        self.setMagneticModel()
323        self.setTableProperties(self.lstMagnetic)
[b00414d]324        # Delegates for custom editing and display
325        self.lstMagnetic.setItemDelegate(MagnetismViewDelegate(self))
[60af928]326
[2a432e7]327    def initializeCategoryCombo(self):
328        """
329        Model category combo setup
330        """
[60af928]331        category_list = sorted(self.master_category_dict.keys())
[86f88d1]332        self.cbCategory.addItem(CATEGORY_DEFAULT)
[60af928]333        self.cbCategory.addItems(category_list)
[4d457df]334        self.cbCategory.addItem(CATEGORY_STRUCTURE)
[6f7f652]335        self.cbCategory.setCurrentIndex(0)
[60af928]336
[e1e3e09]337    def setEnablementOnDataLoad(self):
338        """
339        Enable/disable various UI elements based on data loaded
340        """
[cbcdd2c]341        # Tag along functionality
[b1e36a3]342        self.label.setText("Data loaded from: ")
[a0f5c36]343        self.lblFilename.setText(self.logic.data.filename)
[5236449]344        self.updateQRange()
[e1e3e09]345        # Switch off Data2D control
346        self.chk2DView.setEnabled(False)
347        self.chk2DView.setVisible(False)
[6ff2eb3]348        self.chkMagnetism.setEnabled(self.is2D)
[4fdb727]349        self.tabFitting.setTabEnabled(TAB_MAGNETISM, self.is2D)
[ee18d33]350        # Combo box or label for file name"
351        if self.is_batch_fitting:
352            self.lblFilename.setVisible(False)
353            for dataitem in self.all_data:
354                filename = GuiUtils.dataFromItem(dataitem).filename
355                self.cbFileNames.addItem(filename)
356            self.cbFileNames.setVisible(True)
[38eb433]357            # This panel is not designed to view individual fits, so disable plotting
358            self.cmdPlot.setVisible(False)
[180bd54]359        # Similarly on other tabs
360        self.options_widget.setEnablementOnDataLoad()
[e1e3e09]361
[d3475fe]362        # Reload the model
[f7d14a1]363        self.onSelectModel()
[d3475fe]364
[e1e3e09]365        # Smearing tab
366        self.smearing_widget.updateSmearing(self.data)
[60af928]367
[f46f6dc]368    def acceptsData(self):
369        """ Tells the caller this widget can accept new dataset """
[5236449]370        return not self.data_is_loaded
[f46f6dc]371
[6f7f652]372    def disableModelCombo(self):
[cbcdd2c]373        """ Disable the combobox """
[6f7f652]374        self.cbModel.setEnabled(False)
[b1e36a3]375        self.lblModel.setEnabled(False)
[6f7f652]376
377    def enableModelCombo(self):
[cbcdd2c]378        """ Enable the combobox """
[6f7f652]379        self.cbModel.setEnabled(True)
[b1e36a3]380        self.lblModel.setEnabled(True)
[6f7f652]381
382    def disableStructureCombo(self):
[cbcdd2c]383        """ Disable the combobox """
[6f7f652]384        self.cbStructureFactor.setEnabled(False)
[b1e36a3]385        self.lblStructure.setEnabled(False)
[6f7f652]386
387    def enableStructureCombo(self):
[cbcdd2c]388        """ Enable the combobox """
[6f7f652]389        self.cbStructureFactor.setEnabled(True)
[b1e36a3]390        self.lblStructure.setEnabled(True)
[6f7f652]391
[0268aed]392    def togglePoly(self, isChecked):
[454670d]393        """ Enable/disable the polydispersity tab """
[0268aed]394        self.tabFitting.setTabEnabled(TAB_POLY, isChecked)
395
396    def toggleMagnetism(self, isChecked):
[454670d]397        """ Enable/disable the magnetism tab """
[0268aed]398        self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked)
399
400    def toggle2D(self, isChecked):
[454670d]401        """ Enable/disable the controls dependent on 1D/2D data instance """
[0268aed]402        self.chkMagnetism.setEnabled(isChecked)
403        self.is2D = isChecked
[1970780]404        # Reload the current model
[e1e3e09]405        if self.kernel_module:
406            self.onSelectModel()
[5236449]407
[86f88d1]408    def initializeControls(self):
409        """
410        Set initial control enablement
411        """
[ee18d33]412        self.cbFileNames.setVisible(False)
[86f88d1]413        self.cmdFit.setEnabled(False)
[d48cc19]414        self.cmdPlot.setEnabled(False)
[180bd54]415        self.options_widget.cmdComputePoints.setVisible(False) # probably redundant
[86f88d1]416        self.chkPolydispersity.setEnabled(True)
417        self.chkPolydispersity.setCheckState(False)
418        self.chk2DView.setEnabled(True)
419        self.chk2DView.setCheckState(False)
420        self.chkMagnetism.setEnabled(False)
421        self.chkMagnetism.setCheckState(False)
[cbcdd2c]422        # Tabs
[86f88d1]423        self.tabFitting.setTabEnabled(TAB_POLY, False)
424        self.tabFitting.setTabEnabled(TAB_MAGNETISM, False)
425        self.lblChi2Value.setText("---")
[e1e3e09]426        # Smearing tab
427        self.smearing_widget.updateSmearing(self.data)
[180bd54]428        # Line edits in the option tab
429        self.updateQRange()
[86f88d1]430
431    def initializeSignals(self):
432        """
433        Connect GUI element signals
434        """
[cbcdd2c]435        # Comboboxes
[cd31251]436        self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor)
437        self.cbCategory.currentIndexChanged.connect(self.onSelectCategory)
438        self.cbModel.currentIndexChanged.connect(self.onSelectModel)
[ee18d33]439        self.cbFileNames.currentIndexChanged.connect(self.onSelectBatchFilename)
[cbcdd2c]440        # Checkboxes
[86f88d1]441        self.chk2DView.toggled.connect(self.toggle2D)
442        self.chkPolydispersity.toggled.connect(self.togglePoly)
443        self.chkMagnetism.toggled.connect(self.toggleMagnetism)
[cbcdd2c]444        # Buttons
[5236449]445        self.cmdFit.clicked.connect(self.onFit)
[cbcdd2c]446        self.cmdPlot.clicked.connect(self.onPlot)
[2add354]447        self.cmdHelp.clicked.connect(self.onHelp)
[6ff2eb3]448        self.cmdMagneticDisplay.clicked.connect(self.onDisplayMagneticAngles)
[cbcdd2c]449
450        # Respond to change in parameters from the UI
[b00414d]451        self._model_model.itemChanged.connect(self.onMainParamsChange)
[cd31251]452        self._poly_model.itemChanged.connect(self.onPolyModelChange)
[b00414d]453        self._magnet_model.itemChanged.connect(self.onMagnetModelChange)
[86f88d1]454
[180bd54]455        # Signals from separate tabs asking for replot
456        self.options_widget.plot_signal.connect(self.onOptionsUpdate)
457
[2add354]458    def showModelDescription(self, position):
459        """
460        Shows a window with model description, when right clicked in the treeview
461        """
462        msg = 'Model description:\n'
463        if self.kernel_module is not None:
464            if str(self.kernel_module.description).rstrip().lstrip() == '':
465                msg += "Sorry, no information is available for this model."
466            else:
467                msg += self.kernel_module.description + '\n'
468        else:
469            msg += "You must select a model to get information on this"
470
471        menu = QtGui.QMenu()
[672b8ab]472        label = QtGui.QLabel(msg)
473        action = QtGui.QWidgetAction(self)
474        action.setDefaultWidget(label)
475        menu.addAction(action)
476        menu.exec_(self.lstParams.viewport().mapToGlobal(position))
[2add354]477
[0268aed]478    def onSelectModel(self):
[cbcdd2c]479        """
[0268aed]480        Respond to select Model from list event
[cbcdd2c]481        """
[0268aed]482        model = str(self.cbModel.currentText())
483
484        # Reset structure factor
485        self.cbStructureFactor.setCurrentIndex(0)
486
[f182f93]487        # Reset parameters to fit
488        self.parameters_to_fit = None
[d7ff531]489        self.has_error_column = False
[aca8418]490        self.has_poly_error_column = False
[f182f93]491
[fd1ae6d1]492        self.respondToModelStructure(model=model, structure_factor=None)
493
[ee18d33]494    def onSelectBatchFilename(self, data_index):
495        """
496        Update the logic based on the selected file in batch fitting
497        """
498        self._index = self.all_data[data_index]
499        self.logic.data = GuiUtils.dataFromItem(self.all_data[data_index])
500        self.updateQRange()
501
[fd1ae6d1]502    def onSelectStructureFactor(self):
503        """
504        Select Structure Factor from list
505        """
506        model = str(self.cbModel.currentText())
507        category = str(self.cbCategory.currentText())
508        structure = str(self.cbStructureFactor.currentText())
509        if category == CATEGORY_STRUCTURE:
510            model = None
511        self.respondToModelStructure(model=model, structure_factor=structure)
512
513    def respondToModelStructure(self, model=None, structure_factor=None):
[d48cc19]514        # Set enablement on calculate/plot
515        self.cmdPlot.setEnabled(True)
516
[fd1ae6d1]517        # kernel parameters -> model_model
518        self.SASModelToQModel(model, structure_factor)
[0268aed]519
520        if self.data_is_loaded:
[d48cc19]521            self.cmdPlot.setText("Show Plot")
[0268aed]522            self.calculateQGridForModel()
523        else:
[d48cc19]524            self.cmdPlot.setText("Calculate")
[0268aed]525            # Create default datasets if no data passed
526            self.createDefaultDataset()
527
[6011788]528        # Update state stack
[00b3b40]529        self.updateUndo()
[2add354]530
[cd31251]531    def onSelectCategory(self):
[60af928]532        """
533        Select Category from list
534        """
[4d457df]535        category = str(self.cbCategory.currentText())
[86f88d1]536        # Check if the user chose "Choose category entry"
[4d457df]537        if category == CATEGORY_DEFAULT:
[86f88d1]538            # if the previous category was not the default, keep it.
539            # Otherwise, just return
540            if self._previous_category_index != 0:
[351b53e]541                # We need to block signals, or else state changes on perceived unchanged conditions
542                self.cbCategory.blockSignals(True)
[86f88d1]543                self.cbCategory.setCurrentIndex(self._previous_category_index)
[351b53e]544                self.cbCategory.blockSignals(False)
[86f88d1]545            return
546
[4d457df]547        if category == CATEGORY_STRUCTURE:
[6f7f652]548            self.disableModelCombo()
549            self.enableStructureCombo()
[29eb947]550            self._model_model.clear()
[6f7f652]551            return
552
[cbcdd2c]553        # Safely clear and enable the model combo
[6f7f652]554        self.cbModel.blockSignals(True)
555        self.cbModel.clear()
556        self.cbModel.blockSignals(False)
557        self.enableModelCombo()
558        self.disableStructureCombo()
559
[86f88d1]560        self._previous_category_index = self.cbCategory.currentIndex()
[cbcdd2c]561        # Retrieve the list of models
[4d457df]562        model_list = self.master_category_dict[category]
[cbcdd2c]563        # Populate the models combobox
[b1e36a3]564        self.cbModel.addItems(sorted([model for (model, _) in model_list]))
[4d457df]565
[0268aed]566    def onPolyModelChange(self, item):
567        """
568        Callback method for updating the main model and sasmodel
569        parameters with the GUI values in the polydispersity view
570        """
571        model_column = item.column()
572        model_row = item.row()
573        name_index = self._poly_model.index(model_row, 0)
[c1e380e]574        parameter_name = str(name_index.data().toString()).lower() # "distribution of sld" etc.
575        if "distribution of" in parameter_name:
[358b39d]576            # just the last word
577            parameter_name = parameter_name.rsplit()[-1]
[c1e380e]578
[06b0138]579        # Extract changed value.
[8eaa101]580        if model_column == self.lstPoly.itemDelegate().poly_parameter:
[00b3b40]581            # Is the parameter checked for fitting?
[0268aed]582            value = item.checkState()
[1643d8ed]583            parameter_name = parameter_name + '.width'
[c1e380e]584            if value == QtCore.Qt.Checked:
585                self.parameters_to_fit.append(parameter_name)
586            else:
587                if parameter_name in self.parameters_to_fit:
588                    self.parameters_to_fit.remove(parameter_name)
[b00414d]589            self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded)
[c1e380e]590            return
[8eaa101]591        elif model_column in [self.lstPoly.itemDelegate().poly_min, self.lstPoly.itemDelegate().poly_max]:
[aca8418]592            try:
593                value = float(item.text())
594            except ValueError:
595                # Can't be converted properly, bring back the old value and exit
596                return
597
598            current_details = self.kernel_module.details[parameter_name]
599            current_details[model_column-1] = value
[8eaa101]600        elif model_column == self.lstPoly.itemDelegate().poly_function:
[919d47c]601            # name of the function - just pass
602            return
[e43fc91]603        elif model_column == self.lstPoly.itemDelegate().poly_filename:
604            # filename for array - just pass
605            return
[0268aed]606        else:
607            try:
608                value = float(item.text())
609            except ValueError:
610                # Can't be converted properly, bring back the old value and exit
611                return
612
[aca8418]613            # Update the sasmodel
614            # PD[ratio] -> width, npts -> npts, nsigs -> nsigmas
[919d47c]615            self.kernel_module.setParam(parameter_name + '.' + \
[8eaa101]616                                        self.lstPoly.itemDelegate().columnDict()[model_column], value)
[0268aed]617
[b00414d]618    def onMagnetModelChange(self, item):
619        """
620        Callback method for updating the sasmodel magnetic parameters with the GUI values
621        """
622        model_column = item.column()
623        model_row = item.row()
624        name_index = self._magnet_model.index(model_row, 0)
625        parameter_name = str(self._magnet_model.data(name_index).toPyObject())
626
627        if model_column == 0:
628            value = item.checkState()
629            if value == QtCore.Qt.Checked:
630                self.parameters_to_fit.append(parameter_name)
631            else:
632                if parameter_name in self.parameters_to_fit:
633                    self.parameters_to_fit.remove(parameter_name)
634            self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded)
635            # Update state stack
636            self.updateUndo()
637            return
638
639        # Extract changed value.
640        try:
641            value = float(item.text())
642        except ValueError:
643            # Unparsable field
644            return
645
[02f1d12]646        # p_i = self._magnet_model.headerData(0,1,2,3,4,5,6,7,8,9,10)
647        property_index = self._magnet_model.headerData(0, 1, model_column).toInt()[0]-1 # Value, min, max, etc.
[b00414d]648
649        # Update the parameter value - note: this supports +/-inf as well
650        self.kernel_module.params[parameter_name] = value
651
652        # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf]
653        self.kernel_module.details[parameter_name][property_index] = value
654
655        # Force the chart update when actual parameters changed
656        if model_column == 1:
657            self.recalculatePlotData()
658
659        # Update state stack
660        self.updateUndo()
661
[2add354]662    def onHelp(self):
663        """
664        Show the "Fitting" section of help
665        """
[b0c5e8c]666        tree_location = GuiUtils.HELP_DIRECTORY_LOCATION + "/user/sasgui/perspectives/fitting/"
[70080a0]667
668        # Actual file will depend on the current tab
669        tab_id = self.tabFitting.currentIndex()
670        helpfile = "fitting.html"
671        if tab_id == 0:
672            helpfile = "fitting_help.html"
673        elif tab_id == 1:
674            helpfile = "residuals_help.html"
675        elif tab_id == 2:
676            helpfile = "sm_help.html"
677        elif tab_id == 3:
678            helpfile = "pd_help.html"
679        elif tab_id == 4:
680            helpfile = "mag_help.html"
681        help_location = tree_location + helpfile
682        self.helpView.load(QtCore.QUrl(help_location))
[2add354]683        self.helpView.show()
684
[6ff2eb3]685    def onDisplayMagneticAngles(self):
686        """
687        Display a simple image showing direction of magnetic angles
688        """
689        self.magneticAnglesWidget.show()
690
[0268aed]691    def onFit(self):
692        """
693        Perform fitting on the current data
694        """
[f182f93]695
696        # Data going in
697        data = self.logic.data
698        model = self.kernel_module
699        qmin = self.q_range_min
700        qmax = self.q_range_max
701        params_to_fit = self.parameters_to_fit
702
[180bd54]703        # Potential weights added directly to data
[9d266d2]704        self.addWeightingToData(data)
705
[98b13f72]706        # Potential smearing added
[180bd54]707        # Remember that smearing_min/max can be None ->
708        # deal with it until Python gets discriminated unions
[98b13f72]709        smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state()
710
[f182f93]711        # These should be updating somehow?
712        fit_id = 0
713        constraints = []
714        smearer = None
715        page_id = [210]
716        handler = None
717        batch_inputs = {}
718        batch_outputs = {}
719        list_page_id = [page_id]
720        #---------------------------------
[7adc2a8]721        if USING_TWISTED:
722            handler = None
723            updater = None
724        else:
725            handler = ConsoleUpdate(parent=self.parent,
726                                    manager=self,
727                                    improvement_delta=0.1)
728            updater = handler.update_fit
[f182f93]729
730        # Parameterize the fitter
[ee18d33]731        fitters = []
732        for fit_index in self.all_data:
733            fitter = Fit()
734            data = GuiUtils.dataFromItem(fit_index)
735            fitter.set_model(model, fit_id, params_to_fit, data=data,
736                             constraints=constraints)
737            qmin, qmax, _ = self.logic.computeRangeFromData(data)
738            fitter.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin,
739                            qmax=qmax)
740            fitter.select_problem_for_fit(id=fit_id, value=1)
741            fitter.fitter_id = page_id
742            fit_id += 1
743            fitters.append(fitter)
[f182f93]744
745        # Create the fitting thread, based on the fitter
[ee18d33]746        completefn = self.batchFitComplete if self.is_batch_fitting else self.fitComplete
747
[f182f93]748        calc_fit = FitThread(handler=handler,
[ee18d33]749                                fn=fitters,
750                                batch_inputs=batch_inputs,
751                                batch_outputs=batch_outputs,
752                                page_id=list_page_id,
753                                updatefn=updater,
754                                completefn=completefn)
[7adc2a8]755
756        if USING_TWISTED:
757            # start the trhrhread with twisted
758            calc_thread = threads.deferToThread(calc_fit.compute)
759            calc_thread.addCallback(self.fitComplete)
760            calc_thread.addErrback(self.fitFailed)
761        else:
762            # Use the old python threads + Queue
763            calc_fit.queue()
764            calc_fit.ready(2.5)
[f182f93]765
766
767        #disable the Fit button
[7adc2a8]768        self.cmdFit.setText('Running...')
[d7ff531]769        self.communicate.statusBarUpdateSignal.emit('Fitting started...')
[f182f93]770        self.cmdFit.setEnabled(False)
[0268aed]771
[f182f93]772    def updateFit(self):
773        """
774        """
775        print "UPDATE FIT"
[0268aed]776        pass
777
[02ddfb4]778    def fitFailed(self, reason):
779        """
780        """
781        print "FIT FAILED: ", reason
782        pass
783
[ee18d33]784    def batchFitComplete(self, result):
785        """
786        Receive and display batch fitting results
787        """
788        #re-enable the Fit button
789        self.cmdFit.setText("Fit")
790        self.cmdFit.setEnabled(True)
791
792        print ("BATCH FITTING FINISHED")
793        # Add the Qt version of wx.aui.AuiNotebook and populate it
794        pass
795
[f182f93]796    def fitComplete(self, result):
797        """
798        Receive and display fitting results
799        "result" is a tuple of actual result list and the fit time in seconds
800        """
801        #re-enable the Fit button
802        self.cmdFit.setText("Fit")
803        self.cmdFit.setEnabled(True)
[d7ff531]804
805        assert result is not None
806
[ee18d33]807        res_list = result[0][0]
[f182f93]808        res = res_list[0]
809        if res.fitness is None or \
[180bd54]810            not np.isfinite(res.fitness) or \
[1bc27f1]811            np.any(res.pvec is None) or \
[180bd54]812            not np.all(np.isfinite(res.pvec)):
[f182f93]813            msg = "Fitting did not converge!!!"
[454670d]814            self.communicate.statusBarUpdateSignal.emit(msg)
[f182f93]815            logging.error(msg)
816            return
817
818        elapsed = result[1]
819        msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed)
820        self.communicate.statusBarUpdateSignal.emit(msg)
821
[2add354]822        self.chi2 = res.fitness
[aca8418]823        param_list = res.param_list # ['radius', 'radius.width']
824        param_values = res.pvec     # array([ 0.36221662,  0.0146783 ])
825        param_stderr = res.stderr   # array([ 1.71293015,  1.71294233])
[f182f93]826        params_and_errors = zip(param_values, param_stderr)
827        param_dict = dict(izip(param_list, params_and_errors))
828
829        # Dictionary of fitted parameter: value, error
830        # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)}
831        self.updateModelFromList(param_dict)
832
[aca8418]833        self.updatePolyModelFromList(param_dict)
834
[b00414d]835        self.updateMagnetModelFromList(param_dict)
836
[d7ff531]837        # update charts
838        self.onPlot()
839
[f182f93]840        # Read only value - we can get away by just printing it here
[2add354]841        chi2_repr = GuiUtils.formatNumber(self.chi2, high=True)
[f182f93]842        self.lblChi2Value.setText(chi2_repr)
843
844    def iterateOverModel(self, func):
845        """
846        Take func and throw it inside the model row loop
847        """
848        for row_i in xrange(self._model_model.rowCount()):
849            func(row_i)
850
851    def updateModelFromList(self, param_dict):
852        """
853        Update the model with new parameters, create the errors column
854        """
855        assert isinstance(param_dict, dict)
856        if not dict:
857            return
858
[919d47c]859        def updateFittedValues(row):
[f182f93]860            # Utility function for main model update
[d7ff531]861            # internal so can use closure for param_dict
[919d47c]862            param_name = str(self._model_model.item(row, 0).text())
[f182f93]863            if param_name not in param_dict.keys():
864                return
865            # modify the param value
[454670d]866            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
[919d47c]867            self._model_model.item(row, 1).setText(param_repr)
[f182f93]868            if self.has_error_column:
[454670d]869                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
[919d47c]870                self._model_model.item(row, 2).setText(error_repr)
[f182f93]871
[919d47c]872        def updatePolyValues(row):
873            # Utility function for updateof polydispersity part of the main model
874            param_name = str(self._model_model.item(row, 0).text())+'.width'
875            if param_name not in param_dict.keys():
876                return
877            # modify the param value
878            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
879            self._model_model.item(row, 0).child(0).child(0,1).setText(param_repr)
880
881        def createErrorColumn(row):
[f182f93]882            # Utility function for error column update
883            item = QtGui.QStandardItem()
[919d47c]884            def createItem(param_name):
[f182f93]885                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
886                item.setText(error_repr)
[919d47c]887            def curr_param():
888                return str(self._model_model.item(row, 0).text())
889
890            [createItem(param_name) for param_name in param_dict.keys() if curr_param() == param_name]
891
[f182f93]892            error_column.append(item)
893
[2da5759]894        # block signals temporarily, so we don't end up
895        # updating charts with every single model change on the end of fitting
896        self._model_model.blockSignals(True)
[d7ff531]897        self.iterateOverModel(updateFittedValues)
[919d47c]898        self.iterateOverModel(updatePolyValues)
[2da5759]899        self._model_model.blockSignals(False)
[f182f93]900
901        if self.has_error_column:
902            return
903
904        error_column = []
[8f2548c]905        self.lstParams.itemDelegate().addErrorColumn()
[d7ff531]906        self.iterateOverModel(createErrorColumn)
[f182f93]907
[d7ff531]908        # switch off reponse to model change
909        self._model_model.blockSignals(True)
[f182f93]910        self._model_model.insertColumn(2, error_column)
[d7ff531]911        self._model_model.blockSignals(False)
[f182f93]912        FittingUtilities.addErrorHeadersToModel(self._model_model)
[d7ff531]913        # Adjust the table cells width.
914        # TODO: find a way to dynamically adjust column width while resized expanding
915        self.lstParams.resizeColumnToContents(0)
916        self.lstParams.resizeColumnToContents(4)
917        self.lstParams.resizeColumnToContents(5)
918        self.lstParams.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding)
919
920        self.has_error_column = True
[f182f93]921
[aca8418]922    def updatePolyModelFromList(self, param_dict):
923        """
924        Update the polydispersity model with new parameters, create the errors column
925        """
926        assert isinstance(param_dict, dict)
927        if not dict:
928            return
929
[b00414d]930        def iterateOverPolyModel(func):
931            """
932            Take func and throw it inside the poly model row loop
933            """
934            for row_i in xrange(self._poly_model.rowCount()):
935                func(row_i)
936
[aca8418]937        def updateFittedValues(row_i):
938            # Utility function for main model update
939            # internal so can use closure for param_dict
940            if row_i >= self._poly_model.rowCount():
941                return
942            param_name = str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width'
943            if param_name not in param_dict.keys():
944                return
945            # modify the param value
946            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
947            self._poly_model.item(row_i, 1).setText(param_repr)
948            if self.has_poly_error_column:
949                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
950                self._poly_model.item(row_i, 2).setText(error_repr)
951
[919d47c]952
[aca8418]953        def createErrorColumn(row_i):
954            # Utility function for error column update
955            if row_i >= self._poly_model.rowCount():
956                return
957            item = QtGui.QStandardItem()
[919d47c]958
959            def createItem(param_name):
[aca8418]960                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
961                item.setText(error_repr)
[919d47c]962
963            def poly_param():
964                return str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width'
965
966            [createItem(param_name) for param_name in param_dict.keys() if poly_param() == param_name]
967
[aca8418]968            error_column.append(item)
969
970        # block signals temporarily, so we don't end up
971        # updating charts with every single model change on the end of fitting
972        self._poly_model.blockSignals(True)
[b00414d]973        iterateOverPolyModel(updateFittedValues)
[aca8418]974        self._poly_model.blockSignals(False)
975
976        if self.has_poly_error_column:
977            return
978
[8eaa101]979        self.lstPoly.itemDelegate().addErrorColumn()
[aca8418]980        error_column = []
[b00414d]981        iterateOverPolyModel(createErrorColumn)
[aca8418]982
983        # switch off reponse to model change
984        self._poly_model.blockSignals(True)
985        self._poly_model.insertColumn(2, error_column)
986        self._poly_model.blockSignals(False)
987        FittingUtilities.addErrorPolyHeadersToModel(self._poly_model)
988
989        self.has_poly_error_column = True
990
[b00414d]991    def updateMagnetModelFromList(self, param_dict):
992        """
993        Update the magnetic model with new parameters, create the errors column
994        """
995        assert isinstance(param_dict, dict)
996        if not dict:
997            return
998
999        def iterateOverMagnetModel(func):
1000            """
1001            Take func and throw it inside the magnet model row loop
1002            """
1003            for row_i in xrange(self._model_model.rowCount()):
1004                func(row_i)
1005
1006        def updateFittedValues(row):
1007            # Utility function for main model update
1008            # internal so can use closure for param_dict
1009            param_name = str(self._magnet_model.item(row, 0).text())
1010            if param_name not in param_dict.keys():
1011                return
1012            # modify the param value
1013            param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1014            self._magnet_model.item(row, 1).setText(param_repr)
1015            if self.has_magnet_error_column:
1016                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1017                self._magnet_model.item(row, 2).setText(error_repr)
1018
1019        def createErrorColumn(row):
1020            # Utility function for error column update
1021            item = QtGui.QStandardItem()
1022            def createItem(param_name):
1023                error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1024                item.setText(error_repr)
1025            def curr_param():
1026                return str(self._magnet_model.item(row, 0).text())
1027
1028            [createItem(param_name) for param_name in param_dict.keys() if curr_param() == param_name]
1029
1030            error_column.append(item)
1031
1032        # block signals temporarily, so we don't end up
1033        # updating charts with every single model change on the end of fitting
1034        self._magnet_model.blockSignals(True)
1035        iterateOverMagnetModel(updateFittedValues)
1036        self._magnet_model.blockSignals(False)
1037
1038        if self.has_magnet_error_column:
1039            return
1040
1041        self.lstMagnetic.itemDelegate().addErrorColumn()
1042        error_column = []
1043        iterateOverMagnetModel(createErrorColumn)
1044
1045        # switch off reponse to model change
1046        self._magnet_model.blockSignals(True)
1047        self._magnet_model.insertColumn(2, error_column)
1048        self._magnet_model.blockSignals(False)
1049        FittingUtilities.addErrorHeadersToModel(self._magnet_model)
1050
1051        self.has_magnet_error_column = True
1052
[0268aed]1053    def onPlot(self):
1054        """
1055        Plot the current set of data
1056        """
[d48cc19]1057        # Regardless of previous state, this should now be `plot show` functionality only
1058        self.cmdPlot.setText("Show Plot")
[88e1f57]1059        # Force data recalculation so existing charts are updated
1060        self.recalculatePlotData()
[d48cc19]1061        self.showPlot()
1062
1063    def recalculatePlotData(self):
1064        """
1065        Generate a new dataset for model
1066        """
[180bd54]1067        if not self.data_is_loaded:
[0268aed]1068            self.createDefaultDataset()
1069        self.calculateQGridForModel()
1070
[d48cc19]1071    def showPlot(self):
1072        """
1073        Show the current plot in MPL
1074        """
1075        # Show the chart if ready
1076        data_to_show = self.data if self.data_is_loaded else self.model_data
1077        if data_to_show is not None:
1078            self.communicate.plotRequestedSignal.emit([data_to_show])
1079
[180bd54]1080    def onOptionsUpdate(self):
[0268aed]1081        """
[180bd54]1082        Update local option values and replot
[0268aed]1083        """
[180bd54]1084        self.q_range_min, self.q_range_max, self.npts, self.log_points, self.weighting = \
1085            self.options_widget.state()
[61a92d4]1086        # set Q range labels on the main tab
1087        self.lblMinRangeDef.setText(str(self.q_range_min))
1088        self.lblMaxRangeDef.setText(str(self.q_range_max))
[d48cc19]1089        self.recalculatePlotData()
[6c8fb2c]1090
[0268aed]1091    def setDefaultStructureCombo(self):
1092        """
1093        Fill in the structure factors combo box with defaults
1094        """
1095        structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE)
1096        factors = [factor[0] for factor in structure_factor_list]
1097        factors.insert(0, STRUCTURE_DEFAULT)
1098        self.cbStructureFactor.clear()
1099        self.cbStructureFactor.addItems(sorted(factors))
1100
[4d457df]1101    def createDefaultDataset(self):
1102        """
1103        Generate default Dataset 1D/2D for the given model
1104        """
1105        # Create default datasets if no data passed
1106        if self.is2D:
[180bd54]1107            qmax = self.q_range_max/np.sqrt(2)
[4d457df]1108            qstep = self.npts
1109            self.logic.createDefault2dData(qmax, qstep, self.tab_id)
[180bd54]1110            return
1111        elif self.log_points:
1112            qmin = -10.0 if self.q_range_min < 1.e-10 else np.log10(self.q_range_min)
[1bc27f1]1113            qmax = 10.0 if self.q_range_max > 1.e10 else np.log10(self.q_range_max)
[180bd54]1114            interval = np.logspace(start=qmin, stop=qmax, num=self.npts, endpoint=True, base=10.0)
[4d457df]1115        else:
[180bd54]1116            interval = np.linspace(start=self.q_range_min, stop=self.q_range_max,
[1bc27f1]1117                                   num=self.npts, endpoint=True)
[180bd54]1118        self.logic.createDefault1dData(interval, self.tab_id)
[60af928]1119
[5236449]1120    def readCategoryInfo(self):
[60af928]1121        """
1122        Reads the categories in from file
1123        """
1124        self.master_category_dict = defaultdict(list)
1125        self.by_model_dict = defaultdict(list)
1126        self.model_enabled_dict = defaultdict(bool)
1127
[cbcdd2c]1128        categorization_file = CategoryInstaller.get_user_file()
1129        if not os.path.isfile(categorization_file):
1130            categorization_file = CategoryInstaller.get_default_file()
1131        with open(categorization_file, 'rb') as cat_file:
[60af928]1132            self.master_category_dict = json.load(cat_file)
[5236449]1133            self.regenerateModelDict()
[60af928]1134
[5236449]1135        # Load the model dict
1136        models = load_standard_models()
1137        for model in models:
1138            self.models[model.name] = model
1139
1140    def regenerateModelDict(self):
[60af928]1141        """
[cbcdd2c]1142        Regenerates self.by_model_dict which has each model name as the
[60af928]1143        key and the list of categories belonging to that model
1144        along with the enabled mapping
1145        """
1146        self.by_model_dict = defaultdict(list)
1147        for category in self.master_category_dict:
1148            for (model, enabled) in self.master_category_dict[category]:
1149                self.by_model_dict[model].append(category)
1150                self.model_enabled_dict[model] = enabled
1151
[86f88d1]1152    def addBackgroundToModel(self, model):
1153        """
1154        Adds background parameter with default values to the model
1155        """
[cbcdd2c]1156        assert isinstance(model, QtGui.QStandardItemModel)
[86f88d1]1157        checked_list = ['background', '0.001', '-inf', 'inf', '1/cm']
[4d457df]1158        FittingUtilities.addCheckedListToModel(model, checked_list)
[2add354]1159        last_row = model.rowCount()-1
1160        model.item(last_row, 0).setEditable(False)
1161        model.item(last_row, 4).setEditable(False)
[86f88d1]1162
1163    def addScaleToModel(self, model):
1164        """
1165        Adds scale parameter with default values to the model
1166        """
[cbcdd2c]1167        assert isinstance(model, QtGui.QStandardItemModel)
[86f88d1]1168        checked_list = ['scale', '1.0', '0.0', 'inf', '']
[4d457df]1169        FittingUtilities.addCheckedListToModel(model, checked_list)
[2add354]1170        last_row = model.rowCount()-1
1171        model.item(last_row, 0).setEditable(False)
1172        model.item(last_row, 4).setEditable(False)
[86f88d1]1173
[9d266d2]1174    def addWeightingToData(self, data):
1175        """
1176        Adds weighting contribution to fitting data
[1bc27f1]1177        """
[e1e3e09]1178        # Send original data for weighting
[dc5ef15]1179        weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting)
[180bd54]1180        update_module = data.err_data if self.is2D else data.dy
[6964d44]1181        # Overwrite relevant values in data
[180bd54]1182        update_module = weight
[9d266d2]1183
[0268aed]1184    def updateQRange(self):
1185        """
1186        Updates Q Range display
1187        """
1188        if self.data_is_loaded:
1189            self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange()
1190        # set Q range labels on the main tab
1191        self.lblMinRangeDef.setText(str(self.q_range_min))
1192        self.lblMaxRangeDef.setText(str(self.q_range_max))
1193        # set Q range labels on the options tab
[180bd54]1194        self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts)
[0268aed]1195
[4d457df]1196    def SASModelToQModel(self, model_name, structure_factor=None):
[60af928]1197        """
[cbcdd2c]1198        Setting model parameters into table based on selected category
[60af928]1199        """
1200        # Crete/overwrite model items
1201        self._model_model.clear()
[5236449]1202
[fd1ae6d1]1203        # First, add parameters from the main model
1204        if model_name is not None:
1205            self.fromModelToQModel(model_name)
[5236449]1206
[fd1ae6d1]1207        # Then, add structure factor derived parameters
[cd31251]1208        if structure_factor is not None and structure_factor != "None":
[fd1ae6d1]1209            if model_name is None:
1210                # Instantiate the current sasmodel for SF-only models
1211                self.kernel_module = self.models[structure_factor]()
1212            self.fromStructureFactorToQModel(structure_factor)
[cd31251]1213        else:
[fd1ae6d1]1214            # Allow the SF combobox visibility for the given sasmodel
1215            self.enableStructureFactorControl(structure_factor)
[cd31251]1216
[fd1ae6d1]1217        # Then, add multishells
1218        if model_name is not None:
1219            # Multishell models need additional treatment
1220            self.addExtraShells()
[86f88d1]1221
[5236449]1222        # Add polydispersity to the model
[86f88d1]1223        self.setPolyModel()
[5236449]1224        # Add magnetic parameters to the model
[86f88d1]1225        self.setMagneticModel()
[5236449]1226
[a9b568c]1227        # Adjust the table cells width
1228        self.lstParams.resizeColumnToContents(0)
1229        self.lstParams.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding)
1230
[5236449]1231        # Now we claim the model has been loaded
[86f88d1]1232        self.model_is_loaded = True
1233
[fd1ae6d1]1234        # (Re)-create headers
1235        FittingUtilities.addHeadersToModel(self._model_model)
[6964d44]1236        self.lstParams.header().setFont(self.boldFont)
[fd1ae6d1]1237
[5236449]1238        # Update Q Ranges
1239        self.updateQRange()
1240
[fd1ae6d1]1241    def fromModelToQModel(self, model_name):
1242        """
1243        Setting model parameters into QStandardItemModel based on selected _model_
1244        """
1245        kernel_module = generate.load_kernel_module(model_name)
1246        self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', []))
1247
1248        # Instantiate the current sasmodel
1249        self.kernel_module = self.models[model_name]()
1250
1251        # Explicitly add scale and background with default values
[6964d44]1252        temp_undo_state = self.undo_supported
1253        self.undo_supported = False
[fd1ae6d1]1254        self.addScaleToModel(self._model_model)
1255        self.addBackgroundToModel(self._model_model)
[6964d44]1256        self.undo_supported = temp_undo_state
[fd1ae6d1]1257
[0d13814]1258        self.shell_names = self.shellNamesList()
1259
[fd1ae6d1]1260        # Update the QModel
[aca8418]1261        new_rows = FittingUtilities.addParametersToModel(self.model_parameters, self.kernel_module, self.is2D)
1262
[fd1ae6d1]1263        for row in new_rows:
1264            self._model_model.appendRow(row)
1265        # Update the counter used for multishell display
1266        self._last_model_row = self._model_model.rowCount()
1267
1268    def fromStructureFactorToQModel(self, structure_factor):
1269        """
1270        Setting model parameters into QStandardItemModel based on selected _structure factor_
1271        """
1272        structure_module = generate.load_kernel_module(structure_factor)
1273        structure_parameters = modelinfo.make_parameter_table(getattr(structure_module, 'parameters', []))
[5d1440e1]1274        structure_kernel = self.models[structure_factor]()
1275
1276        self.kernel_module._model_info = product.make_product_info(self.kernel_module._model_info, structure_kernel._model_info)
[fd1ae6d1]1277
1278        new_rows = FittingUtilities.addSimpleParametersToModel(structure_parameters, self.is2D)
1279        for row in new_rows:
1280            self._model_model.appendRow(row)
1281        # Update the counter used for multishell display
1282        self._last_model_row = self._model_model.rowCount()
1283
[b00414d]1284    def onMainParamsChange(self, item):
[cd31251]1285        """
1286        Callback method for updating the sasmodel parameters with the GUI values
1287        """
[cbcdd2c]1288        model_column = item.column()
[cd31251]1289
1290        if model_column == 0:
[f182f93]1291            self.checkboxSelected(item)
[2add354]1292            self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded)
[6964d44]1293            # Update state stack
1294            self.updateUndo()
[cd31251]1295            return
1296
[f182f93]1297        model_row = item.row()
1298        name_index = self._model_model.index(model_row, 0)
1299
[b00414d]1300        # Extract changed value.
[2add354]1301        try:
1302            value = float(item.text())
1303        except ValueError:
1304            # Unparsable field
1305            return
[cbcdd2c]1306        parameter_name = str(self._model_model.data(name_index).toPyObject()) # sld, background etc.
1307
[00b3b40]1308        # Update the parameter value - note: this supports +/-inf as well
[cbcdd2c]1309        self.kernel_module.params[parameter_name] = value
1310
[8a32a6ff]1311        # Update the parameter value - note: this supports +/-inf as well
[8f2548c]1312        param_column = self.lstParams.itemDelegate().param_value
1313        min_column = self.lstParams.itemDelegate().param_min
1314        max_column = self.lstParams.itemDelegate().param_max
1315        if model_column == param_column:
[8a32a6ff]1316            self.kernel_module.setParam(parameter_name, value)
[8f2548c]1317        elif model_column == min_column:
[8a32a6ff]1318            # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf]
[8f2548c]1319            self.kernel_module.details[parameter_name][1] = value
1320        elif model_column == max_column:
1321            self.kernel_module.details[parameter_name][2] = value
1322        else:
1323            # don't update the chart
1324            return
[00b3b40]1325
1326        # TODO: magnetic params in self.kernel_module.details['M0:parameter_name'] = value
1327        # TODO: multishell params in self.kernel_module.details[??] = value
[cbcdd2c]1328
[d7ff531]1329        # Force the chart update when actual parameters changed
1330        if model_column == 1:
[d48cc19]1331            self.recalculatePlotData()
[7d077d1]1332
[2241130]1333        # Update state stack
[00b3b40]1334        self.updateUndo()
[2241130]1335
[f182f93]1336    def checkboxSelected(self, item):
1337        # Assure we're dealing with checkboxes
1338        if not item.isCheckable():
1339            return
1340        status = item.checkState()
1341
1342        def isCheckable(row):
1343            return self._model_model.item(row, 0).isCheckable()
1344
1345        # If multiple rows selected - toggle all of them, filtering uncheckable
1346        rows = [s.row() for s in self.lstParams.selectionModel().selectedRows() if isCheckable(s.row())]
1347
1348        # Switch off signaling from the model to avoid recursion
1349        self._model_model.blockSignals(True)
1350        # Convert to proper indices and set requested enablement
[aca8418]1351        [self._model_model.item(row, 0).setCheckState(status) for row in rows]
[f182f93]1352        self._model_model.blockSignals(False)
1353
1354        # update the list of parameters to fit
[c1e380e]1355        main_params = self.checkedListFromModel(self._model_model)
1356        poly_params = self.checkedListFromModel(self._poly_model)
[b00414d]1357        magnet_params = self.checkedListFromModel(self._magnet_model)
1358
[c1e380e]1359        # Retrieve poly params names
[358b39d]1360        poly_params = [param.rsplit()[-1] + '.width' for param in poly_params]
[c1e380e]1361
[b00414d]1362        self.parameters_to_fit = main_params + poly_params + magnet_params
[c1e380e]1363
1364    def checkedListFromModel(self, model):
1365        """
1366        Returns list of checked parameters for given model
1367        """
1368        def isChecked(row):
1369            return model.item(row, 0).checkState() == QtCore.Qt.Checked
1370
1371        return [str(model.item(row_index, 0).text())
1372                for row_index in xrange(model.rowCount())
1373                if isChecked(row_index)]
[f182f93]1374
[6fd4e36]1375    def nameForFittedData(self, name):
[5236449]1376        """
[6fd4e36]1377        Generate name for the current fit
[5236449]1378        """
1379        if self.is2D:
1380            name += "2d"
1381        name = "M%i [%s]" % (self.tab_id, name)
[6fd4e36]1382        return name
1383
1384    def createNewIndex(self, fitted_data):
1385        """
1386        Create a model or theory index with passed Data1D/Data2D
1387        """
1388        if self.data_is_loaded:
[0268aed]1389            if not fitted_data.name:
1390                name = self.nameForFittedData(self.data.filename)
1391                fitted_data.title = name
1392                fitted_data.name = name
1393                fitted_data.filename = name
[7d077d1]1394                fitted_data.symbol = "Line"
[6fd4e36]1395            self.updateModelIndex(fitted_data)
1396        else:
[0268aed]1397            name = self.nameForFittedData(self.kernel_module.name)
1398            fitted_data.title = name
1399            fitted_data.name = name
1400            fitted_data.filename = name
1401            fitted_data.symbol = "Line"
[6fd4e36]1402            self.createTheoryIndex(fitted_data)
1403
1404    def updateModelIndex(self, fitted_data):
1405        """
1406        Update a QStandardModelIndex containing model data
1407        """
[00b3b40]1408        name = self.nameFromData(fitted_data)
[0268aed]1409        # Make this a line if no other defined
[7d077d1]1410        if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None:
[0268aed]1411            fitted_data.symbol = 'Line'
[6fd4e36]1412        # Notify the GUI manager so it can update the main model in DataExplorer
1413        GuiUtils.updateModelItemWithPlot(self._index, QtCore.QVariant(fitted_data), name)
1414
1415    def createTheoryIndex(self, fitted_data):
1416        """
1417        Create a QStandardModelIndex containing model data
1418        """
[00b3b40]1419        name = self.nameFromData(fitted_data)
1420        # Notify the GUI manager so it can create the theory model in DataExplorer
1421        new_item = GuiUtils.createModelItemWithPlot(QtCore.QVariant(fitted_data), name=name)
1422        self.communicate.updateTheoryFromPerspectiveSignal.emit(new_item)
1423
1424    def nameFromData(self, fitted_data):
1425        """
1426        Return name for the dataset. Terribly impure function.
1427        """
[0268aed]1428        if fitted_data.name is None:
[00b3b40]1429            name = self.nameForFittedData(self.logic.data.filename)
[0268aed]1430            fitted_data.title = name
1431            fitted_data.name = name
1432            fitted_data.filename = name
1433        else:
1434            name = fitted_data.name
[00b3b40]1435        return name
[5236449]1436
[4d457df]1437    def methodCalculateForData(self):
1438        '''return the method for data calculation'''
1439        return Calc1D if isinstance(self.data, Data1D) else Calc2D
1440
1441    def methodCompleteForData(self):
1442        '''return the method for result parsin on calc complete '''
1443        return self.complete1D if isinstance(self.data, Data1D) else self.complete2D
1444
[b1e36a3]1445    def calculateQGridForModel(self):
[86f88d1]1446        """
1447        Prepare the fitting data object, based on current ModelModel
1448        """
[180bd54]1449        if self.kernel_module is None:
1450            return
[4d457df]1451        # Awful API to a backend method.
1452        method = self.methodCalculateForData()(data=self.data,
[1bc27f1]1453                                               model=self.kernel_module,
1454                                               page_id=0,
1455                                               qmin=self.q_range_min,
1456                                               qmax=self.q_range_max,
1457                                               smearer=None,
1458                                               state=None,
1459                                               weight=None,
1460                                               fid=None,
1461                                               toggle_mode_on=False,
1462                                               completefn=None,
1463                                               update_chisqr=True,
1464                                               exception_handler=self.calcException,
1465                                               source=None)
[4d457df]1466
1467        calc_thread = threads.deferToThread(method.compute)
1468        calc_thread.addCallback(self.methodCompleteForData())
[c1e380e]1469        calc_thread.addErrback(self.calculateDataFailed)
[6964d44]1470
[aca8418]1471    def calculateDataFailed(self, reason):
[6964d44]1472        """
[c1e380e]1473        Thread returned error
[6964d44]1474        """
[aca8418]1475        print "Calculate Data failed with ", reason
[5236449]1476
[cbcdd2c]1477    def complete1D(self, return_data):
[5236449]1478        """
[4d457df]1479        Plot the current 1D data
1480        """
[d48cc19]1481        fitted_data = self.logic.new1DPlot(return_data, self.tab_id)
1482        self.calculateResiduals(fitted_data)
1483        self.model_data = fitted_data
[cbcdd2c]1484
1485    def complete2D(self, return_data):
1486        """
[4d457df]1487        Plot the current 2D data
1488        """
[6fd4e36]1489        fitted_data = self.logic.new2DPlot(return_data)
1490        self.calculateResiduals(fitted_data)
[d48cc19]1491        self.model_data = fitted_data
[6fd4e36]1492
1493    def calculateResiduals(self, fitted_data):
1494        """
1495        Calculate and print Chi2 and display chart of residuals
1496        """
1497        # Create a new index for holding data
[7d077d1]1498        fitted_data.symbol = "Line"
[6964d44]1499
1500        # Modify fitted_data with weighting
1501        self.addWeightingToData(fitted_data)
1502
[6fd4e36]1503        self.createNewIndex(fitted_data)
1504        # Calculate difference between return_data and logic.data
[2add354]1505        self.chi2 = FittingUtilities.calculateChi2(fitted_data, self.logic.data)
[6fd4e36]1506        # Update the control
[2add354]1507        chi2_repr = "---" if self.chi2 is None else GuiUtils.formatNumber(self.chi2, high=True)
[f182f93]1508        self.lblChi2Value.setText(chi2_repr)
[cbcdd2c]1509
[d48cc19]1510        self.communicate.plotUpdateSignal.emit([fitted_data])
1511
[0268aed]1512        # Plot residuals if actual data
[aca8418]1513        if not self.data_is_loaded:
1514            return
1515
1516        residuals_plot = FittingUtilities.plotResiduals(self.data, fitted_data)
1517        residuals_plot.id = "Residual " + residuals_plot.id
1518        self.createNewIndex(residuals_plot)
1519        self.communicate.plotUpdateSignal.emit([residuals_plot])
[5236449]1520
1521    def calcException(self, etype, value, tb):
1522        """
[c1e380e]1523        Thread threw an exception.
[5236449]1524        """
[c1e380e]1525        # TODO: remimplement thread cancellation
[5236449]1526        logging.error("".join(traceback.format_exception(etype, value, tb)))
[60af928]1527
1528    def setTableProperties(self, table):
1529        """
1530        Setting table properties
1531        """
1532        # Table properties
1533        table.verticalHeader().setVisible(False)
1534        table.setAlternatingRowColors(True)
1535        table.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding)
1536        table.setSelectionBehavior(QtGui.QAbstractItemView.SelectRows)
[f46f6dc]1537        table.resizeColumnsToContents()
1538
[60af928]1539        # Header
1540        header = table.horizontalHeader()
[f46f6dc]1541        header.setResizeMode(QtGui.QHeaderView.ResizeToContents)
1542
1543        header.ResizeMode(QtGui.QHeaderView.Interactive)
[e43fc91]1544        # Resize column 0 and 7 to content
[f46f6dc]1545        header.setResizeMode(0, QtGui.QHeaderView.ResizeToContents)
[e43fc91]1546        header.setResizeMode(7, QtGui.QHeaderView.ResizeToContents)
[60af928]1547
1548    def setPolyModel(self):
1549        """
1550        Set polydispersity values
1551        """
[86f88d1]1552        if not self.model_parameters:
1553            return
1554        self._poly_model.clear()
1555
[e43fc91]1556        [self.setPolyModelParameters(i, param) for i, param in \
[aca8418]1557            enumerate(self.model_parameters.form_volume_parameters) if param.polydisperse]
[4d457df]1558        FittingUtilities.addPolyHeadersToModel(self._poly_model)
[60af928]1559
[e43fc91]1560    def setPolyModelParameters(self, i, param):
[aca8418]1561        """
[0d13814]1562        Standard of multishell poly parameter driver
[aca8418]1563        """
[0d13814]1564        param_name = param.name
1565        # see it the parameter is multishell
[06b0138]1566        if '[' in param.name:
[0d13814]1567            # Skip empty shells
1568            if self.current_shell_displayed == 0:
1569                return
1570            else:
1571                # Create as many entries as current shells
1572                for ishell in xrange(1, self.current_shell_displayed+1):
1573                    # Remove [n] and add the shell numeral
1574                    name = param_name[0:param_name.index('[')] + str(ishell)
[e43fc91]1575                    self.addNameToPolyModel(i, name)
[0d13814]1576        else:
1577            # Just create a simple param entry
[e43fc91]1578            self.addNameToPolyModel(i, param_name)
[0d13814]1579
[e43fc91]1580    def addNameToPolyModel(self, i, param_name):
[0d13814]1581        """
1582        Creates a checked row in the poly model with param_name
1583        """
[144ec831]1584        # Polydisp. values from the sasmodel
[0d13814]1585        width = self.kernel_module.getParam(param_name + '.width')
1586        npts = self.kernel_module.getParam(param_name + '.npts')
1587        nsigs = self.kernel_module.getParam(param_name + '.nsigmas')
1588        _, min, max = self.kernel_module.details[param_name]
[144ec831]1589
1590        # Construct a row with polydisp. related variable.
1591        # This will get added to the polydisp. model
1592        # Note: last argument needs extra space padding for decent display of the control
[0d13814]1593        checked_list = ["Distribution of " + param_name, str(width),
1594                        str(min), str(max),
[e43fc91]1595                        str(npts), str(nsigs), "gaussian      ",'']
[aca8418]1596        FittingUtilities.addCheckedListToModel(self._poly_model, checked_list)
1597
1598        # All possible polydisp. functions as strings in combobox
1599        func = QtGui.QComboBox()
1600        func.addItems([str(name_disp) for name_disp in POLYDISPERSITY_MODELS.iterkeys()])
[e43fc91]1601        # Set the default index
[aca8418]1602        func.setCurrentIndex(func.findText(DEFAULT_POLYDISP_FUNCTION))
[e43fc91]1603        ind = self._poly_model.index(i,self.lstPoly.itemDelegate().poly_function)
1604        self.lstPoly.setIndexWidget(ind, func)
1605        func.currentIndexChanged.connect(lambda: self.onPolyComboIndexChange(str(func.currentText()), i))
1606
1607    def onPolyFilenameChange(self, row_index):
1608        """
1609        Respond to filename_updated signal from the delegate
1610        """
1611        # For the given row, invoke the "array" combo handler
1612        array_caption = 'array'
[8222f171]1613
[e43fc91]1614        # Get the combo box reference
1615        ind = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
1616        widget = self.lstPoly.indexWidget(ind)
[8222f171]1617
[e43fc91]1618        # Update the combo box so it displays "array"
1619        widget.blockSignals(True)
1620        widget.setCurrentIndex(self.lstPoly.itemDelegate().POLYDISPERSE_FUNCTIONS.index(array_caption))
1621        widget.blockSignals(False)
[aca8418]1622
[8222f171]1623        # Invoke the file reader
1624        self.onPolyComboIndexChange(array_caption, row_index)
1625
[aca8418]1626    def onPolyComboIndexChange(self, combo_string, row_index):
1627        """
1628        Modify polydisp. defaults on function choice
1629        """
[144ec831]1630        # Get npts/nsigs for current selection
[aca8418]1631        param = self.model_parameters.form_volume_parameters[row_index]
[e43fc91]1632        file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
1633        combo_box = self.lstPoly.indexWidget(file_index)
[aca8418]1634
[919d47c]1635        def updateFunctionCaption(row):
1636            # Utility function for update of polydispersity function name in the main model
[1643d8ed]1637            param_name = str(self._model_model.item(row, 0).text())
[919d47c]1638            if param_name !=  param.name:
1639                return
[144ec831]1640            # Modify the param value
[919d47c]1641            self._model_model.item(row, 0).child(0).child(0,4).setText(combo_string)
1642
[aca8418]1643        if combo_string == 'array':
1644            try:
[e43fc91]1645                self.loadPolydispArray(row_index)
[919d47c]1646                # Update main model for display
1647                self.iterateOverModel(updateFunctionCaption)
[e43fc91]1648                # disable the row
1649                lo = self.lstPoly.itemDelegate().poly_pd
1650                hi = self.lstPoly.itemDelegate().poly_function
1651                [self._poly_model.item(row_index, i).setEnabled(False) for i in xrange(lo, hi)]
[aca8418]1652                return
[e43fc91]1653            except IOError:
[8222f171]1654                combo_box.setCurrentIndex(self.orig_poly_index)
[e43fc91]1655                # Pass for cancel/bad read
1656                pass
[aca8418]1657
1658        # Enable the row in case it was disabled by Array
[919d47c]1659        self._poly_model.blockSignals(True)
[e43fc91]1660        max_range = self.lstPoly.itemDelegate().poly_filename
1661        [self._poly_model.item(row_index, i).setEnabled(True) for i in xrange(7)]
1662        file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
1663        self._poly_model.setData(file_index, QtCore.QVariant(""))
[919d47c]1664        self._poly_model.blockSignals(False)
[aca8418]1665
[8eaa101]1666        npts_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_npts)
1667        nsigs_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_nsigs)
[aca8418]1668
1669        npts = POLYDISPERSITY_MODELS[str(combo_string)].default['npts']
1670        nsigs = POLYDISPERSITY_MODELS[str(combo_string)].default['nsigmas']
1671
1672        self._poly_model.setData(npts_index, QtCore.QVariant(npts))
1673        self._poly_model.setData(nsigs_index, QtCore.QVariant(nsigs))
1674
[919d47c]1675        self.iterateOverModel(updateFunctionCaption)
[8222f171]1676        self.orig_poly_index = combo_box.currentIndex()
[919d47c]1677
[e43fc91]1678    def loadPolydispArray(self, row_index):
[aca8418]1679        """
1680        Show the load file dialog and loads requested data into state
1681        """
1682        datafile = QtGui.QFileDialog.getOpenFileName(
[72f4834]1683            self, "Choose a weight file", "", "All files (*.*)",
1684            None, QtGui.QFileDialog.DontUseNativeDialog)
1685
[e43fc91]1686        if datafile is None or str(datafile)=='':
[aca8418]1687            logging.info("No weight data chosen.")
[1643d8ed]1688            raise IOError
[72f4834]1689
[aca8418]1690        values = []
1691        weights = []
[919d47c]1692        def appendData(data_tuple):
1693            """
1694            Fish out floats from a tuple of strings
1695            """
1696            try:
1697                values.append(float(data_tuple[0]))
1698                weights.append(float(data_tuple[1]))
1699            except (ValueError, IndexError):
1700                # just pass through if line with bad data
1701                return
1702
[aca8418]1703        with open(datafile, 'r') as column_file:
1704            column_data = [line.rstrip().split() for line in column_file.readlines()]
[919d47c]1705            [appendData(line) for line in column_data]
[aca8418]1706
[1643d8ed]1707        # If everything went well - update the sasmodel values
[aca8418]1708        self.disp_model = POLYDISPERSITY_MODELS['array']()
1709        self.disp_model.set_weights(np.array(values), np.array(weights))
[e43fc91]1710        # + update the cell with filename
1711        fname = os.path.basename(str(datafile))
1712        fname_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
1713        self._poly_model.setData(fname_index, QtCore.QVariant(fname))
[aca8418]1714
[60af928]1715    def setMagneticModel(self):
1716        """
1717        Set magnetism values on model
1718        """
[86f88d1]1719        if not self.model_parameters:
1720            return
1721        self._magnet_model.clear()
[aca8418]1722        [self.addCheckedMagneticListToModel(param, self._magnet_model) for param in \
[06b0138]1723            self.model_parameters.call_parameters if param.type == 'magnetic']
[4d457df]1724        FittingUtilities.addHeadersToModel(self._magnet_model)
[60af928]1725
[0d13814]1726    def shellNamesList(self):
1727        """
1728        Returns list of names of all multi-shell parameters
1729        E.g. for sld[n], radius[n], n=1..3 it will return
1730        [sld1, sld2, sld3, radius1, radius2, radius3]
1731        """
1732        multi_names = [p.name[:p.name.index('[')] for p in self.model_parameters.iq_parameters if '[' in p.name]
1733        top_index = self.kernel_module.multiplicity_info.number
1734        shell_names = []
1735        for i in xrange(1, top_index+1):
1736            for name in multi_names:
1737                shell_names.append(name+str(i))
1738        return shell_names
1739
[aca8418]1740    def addCheckedMagneticListToModel(self, param, model):
1741        """
1742        Wrapper for model update with a subset of magnetic parameters
1743        """
[0d13814]1744        if param.name[param.name.index(':')+1:] in self.shell_names:
1745            # check if two-digit shell number
1746            try:
1747                shell_index = int(param.name[-2:])
1748            except ValueError:
1749                shell_index = int(param.name[-1:])
1750
1751            if shell_index > self.current_shell_displayed:
1752                return
1753
[aca8418]1754        checked_list = [param.name,
1755                        str(param.default),
1756                        str(param.limits[0]),
1757                        str(param.limits[1]),
1758                        param.units]
1759
1760        FittingUtilities.addCheckedListToModel(model, checked_list)
1761
[fd1ae6d1]1762    def enableStructureFactorControl(self, structure_factor):
[cd31251]1763        """
1764        Add structure factors to the list of parameters
1765        """
[fd1ae6d1]1766        if self.kernel_module.is_form_factor or structure_factor == 'None':
[cd31251]1767            self.enableStructureCombo()
1768        else:
1769            self.disableStructureCombo()
1770
[60af928]1771    def addExtraShells(self):
1772        """
[f46f6dc]1773        Add a combobox for multiple shell display
[60af928]1774        """
[4d457df]1775        param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters)
[f46f6dc]1776
1777        if param_length == 0:
1778            return
1779
[6f7f652]1780        # cell 1: variable name
[f46f6dc]1781        item1 = QtGui.QStandardItem(param_name)
1782
[60af928]1783        func = QtGui.QComboBox()
[b1e36a3]1784        # Available range of shells displayed in the combobox
1785        func.addItems([str(i) for i in xrange(param_length+1)])
[a9b568c]1786
[b1e36a3]1787        # Respond to index change
[86f88d1]1788        func.currentIndexChanged.connect(self.modifyShellsInList)
[60af928]1789
[6f7f652]1790        # cell 2: combobox
[f46f6dc]1791        item2 = QtGui.QStandardItem()
1792        self._model_model.appendRow([item1, item2])
[60af928]1793
[6f7f652]1794        # Beautify the row:  span columns 2-4
[60af928]1795        shell_row = self._model_model.rowCount()
[f46f6dc]1796        shell_index = self._model_model.index(shell_row-1, 1)
[86f88d1]1797
[4d457df]1798        self.lstParams.setIndexWidget(shell_index, func)
[86f88d1]1799        self._last_model_row = self._model_model.rowCount()
1800
[a9b568c]1801        # Set the index to the state-kept value
1802        func.setCurrentIndex(self.current_shell_displayed
1803                             if self.current_shell_displayed < func.count() else 0)
1804
[86f88d1]1805    def modifyShellsInList(self, index):
1806        """
1807        Add/remove additional multishell parameters
1808        """
1809        # Find row location of the combobox
1810        last_row = self._last_model_row
1811        remove_rows = self._model_model.rowCount() - last_row
1812
1813        if remove_rows > 1:
1814            self._model_model.removeRows(last_row, remove_rows)
1815
[4d457df]1816        FittingUtilities.addShellsToModel(self.model_parameters, self._model_model, index)
[a9b568c]1817        self.current_shell_displayed = index
[60af928]1818
[0d13814]1819        # Update relevant models
1820        self.setPolyModel()
1821        self.setMagneticModel()
1822
[672b8ab]1823    def readFitPage(self, fp):
1824        """
1825        Read in state from a fitpage object and update GUI
1826        """
1827        assert isinstance(fp, FitPage)
1828        # Main tab info
1829        self.logic.data.filename = fp.filename
1830        self.data_is_loaded = fp.data_is_loaded
1831        self.chkPolydispersity.setCheckState(fp.is_polydisperse)
1832        self.chkMagnetism.setCheckState(fp.is_magnetic)
1833        self.chk2DView.setCheckState(fp.is2D)
1834
1835        # Update the comboboxes
1836        self.cbCategory.setCurrentIndex(self.cbCategory.findText(fp.current_category))
1837        self.cbModel.setCurrentIndex(self.cbModel.findText(fp.current_model))
1838        if fp.current_factor:
1839            self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(fp.current_factor))
1840
1841        self.chi2 = fp.chi2
1842
1843        # Options tab
1844        self.q_range_min = fp.fit_options[fp.MIN_RANGE]
1845        self.q_range_max = fp.fit_options[fp.MAX_RANGE]
1846        self.npts = fp.fit_options[fp.NPTS]
1847        self.log_points = fp.fit_options[fp.LOG_POINTS]
1848        self.weighting = fp.fit_options[fp.WEIGHTING]
1849
1850        # Models
[d60da0c]1851        self._model_model = fp.model_model
1852        self._poly_model = fp.poly_model
1853        self._magnet_model = fp.magnetism_model
[672b8ab]1854
1855        # Resolution tab
1856        smearing = fp.smearing_options[fp.SMEARING_OPTION]
1857        accuracy = fp.smearing_options[fp.SMEARING_ACCURACY]
1858        smearing_min = fp.smearing_options[fp.SMEARING_MIN]
1859        smearing_max = fp.smearing_options[fp.SMEARING_MAX]
1860        self.smearing_widget.setState(smearing, accuracy, smearing_min, smearing_max)
1861
1862        # TODO: add polidyspersity and magnetism
1863
1864    def saveToFitPage(self, fp):
1865        """
1866        Write current state to the given fitpage
1867        """
1868        assert isinstance(fp, FitPage)
1869
1870        # Main tab info
1871        fp.filename = self.logic.data.filename
1872        fp.data_is_loaded = self.data_is_loaded
1873        fp.is_polydisperse = self.chkPolydispersity.isChecked()
1874        fp.is_magnetic = self.chkMagnetism.isChecked()
1875        fp.is2D = self.chk2DView.isChecked()
1876        fp.data = self.data
1877
1878        # Use current models - they contain all the required parameters
1879        fp.model_model = self._model_model
1880        fp.poly_model = self._poly_model
1881        fp.magnetism_model = self._magnet_model
1882
1883        if self.cbCategory.currentIndex() != 0:
1884            fp.current_category = str(self.cbCategory.currentText())
1885            fp.current_model = str(self.cbModel.currentText())
1886
1887        if self.cbStructureFactor.isEnabled() and self.cbStructureFactor.currentIndex() != 0:
1888            fp.current_factor = str(self.cbStructureFactor.currentText())
1889        else:
1890            fp.current_factor = ''
1891
1892        fp.chi2 = self.chi2
1893        fp.parameters_to_fit = self.parameters_to_fit
[6964d44]1894        fp.kernel_module = self.kernel_module
[672b8ab]1895
[6ff2eb3]1896        # Algorithm options
1897        # fp.algorithm = self.parent.fit_options.selected_id
1898
[672b8ab]1899        # Options tab
1900        fp.fit_options[fp.MIN_RANGE] = self.q_range_min
1901        fp.fit_options[fp.MAX_RANGE] = self.q_range_max
1902        fp.fit_options[fp.NPTS] = self.npts
1903        #fp.fit_options[fp.NPTS_FIT] = self.npts_fit
1904        fp.fit_options[fp.LOG_POINTS] = self.log_points
1905        fp.fit_options[fp.WEIGHTING] = self.weighting
1906
1907        # Resolution tab
1908        smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state()
1909        fp.smearing_options[fp.SMEARING_OPTION] = smearing
1910        fp.smearing_options[fp.SMEARING_ACCURACY] = accuracy
1911        fp.smearing_options[fp.SMEARING_MIN] = smearing_min
1912        fp.smearing_options[fp.SMEARING_MAX] = smearing_max
1913
1914        # TODO: add polidyspersity and magnetism
1915
[00b3b40]1916
1917    def updateUndo(self):
1918        """
1919        Create a new state page and add it to the stack
1920        """
1921        if self.undo_supported:
1922            self.pushFitPage(self.currentState())
1923
[672b8ab]1924    def currentState(self):
1925        """
1926        Return fit page with current state
1927        """
1928        new_page = FitPage()
1929        self.saveToFitPage(new_page)
1930
1931        return new_page
1932
1933    def pushFitPage(self, new_page):
1934        """
1935        Add a new fit page object with current state
1936        """
[6011788]1937        self.page_stack.append(new_page)
[672b8ab]1938
1939    def popFitPage(self):
1940        """
1941        Remove top fit page from stack
1942        """
[6011788]1943        if self.page_stack:
1944            self.page_stack.pop()
[672b8ab]1945
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