FittingWidget.py @ b4d05bd

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 b4d05bd was b4d05bd, checked in by Torin Cooper-Bennun <torin.cooper-bennun@…>, 6 years ago
allow for only P(Q) or S(Q) to be present in intermediate results; improve comments
Property mode set to `100644`
File size: 117.4 KB

Line
1	import json
2	import os
3	from collections import defaultdict
4
5	import copy
6	import logging
7	import traceback
8	from twisted.internet import threads
9	import numpy as np
10	import webbrowser
11
12	from PyQt5 import QtCore
13	from PyQt5 import QtGui
14	from PyQt5 import QtWidgets
15
16	from sasmodels import generate
17	from sasmodels import modelinfo
18	from sasmodels.sasview_model import load_standard_models
19	from sasmodels.sasview_model import MultiplicationModel
20	from sasmodels.weights import MODELS as POLYDISPERSITY_MODELS
21
22	from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit
23	from sas.sascalc.fit.pagestate import PageState
24
25	import sas.qtgui.Utilities.GuiUtils as GuiUtils
26	import sas.qtgui.Utilities.LocalConfig as LocalConfig
27	from sas.qtgui.Utilities.CategoryInstaller import CategoryInstaller
28	from sas.qtgui.Plotting.PlotterData import Data1D
29	from sas.qtgui.Plotting.PlotterData import Data2D
30
31	from sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI import Ui_FittingWidgetUI
32	from sas.qtgui.Perspectives.Fitting.FitThread import FitThread
33	from sas.qtgui.Perspectives.Fitting.ConsoleUpdate import ConsoleUpdate
34
35	from sas.qtgui.Perspectives.Fitting.ModelThread import Calc1D
36	from sas.qtgui.Perspectives.Fitting.ModelThread import Calc2D
37	from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic
38	from sas.qtgui.Perspectives.Fitting import FittingUtilities
39	from sas.qtgui.Perspectives.Fitting import ModelUtilities
40	from sas.qtgui.Perspectives.Fitting.SmearingWidget import SmearingWidget
41	from sas.qtgui.Perspectives.Fitting.OptionsWidget import OptionsWidget
42	from sas.qtgui.Perspectives.Fitting.FitPage import FitPage
43	from sas.qtgui.Perspectives.Fitting.ViewDelegate import ModelViewDelegate
44	from sas.qtgui.Perspectives.Fitting.ViewDelegate import PolyViewDelegate
45	from sas.qtgui.Perspectives.Fitting.ViewDelegate import MagnetismViewDelegate
46	from sas.qtgui.Perspectives.Fitting.Constraint import Constraint
47	from sas.qtgui.Perspectives.Fitting.MultiConstraint import MultiConstraint
48	from sas.qtgui.Perspectives.Fitting.ReportPageLogic import ReportPageLogic
49
50
51
52	TAB_MAGNETISM = 4
53	TAB_POLY = 3
54	CATEGORY_DEFAULT = "Choose category..."
55	CATEGORY_STRUCTURE = "Structure Factor"
56	CATEGORY_CUSTOM = "Plugin Models"
57	STRUCTURE_DEFAULT = "None"
58
59	DEFAULT_POLYDISP_FUNCTION = 'gaussian'
60
61
62	logger = logging.getLogger(__name__)
63
64
65	class ToolTippedItemModel(QtGui.QStandardItemModel):
66	"""
67	Subclass from QStandardItemModel to allow displaying tooltips in
68	QTableView model.
69	"""
70	def __init__(self, parent=None):
71	QtGui.QStandardItemModel.__init__(self, parent)
72
73	def headerData(self, section, orientation, role=QtCore.Qt.DisplayRole):
74	"""
75	Displays tooltip for each column's header
76	:param section:
77	:param orientation:
78	:param role:
79	:return:
80	"""
81	if role == QtCore.Qt.ToolTipRole:
82	if orientation == QtCore.Qt.Horizontal:
83	return str(self.header_tooltips[section])
84
85	return QtGui.QStandardItemModel.headerData(self, section, orientation, role)
86
87	class FittingWidget(QtWidgets.QWidget, Ui_FittingWidgetUI):
88	"""
89	Main widget for selecting form and structure factor models
90	"""
91	constraintAddedSignal = QtCore.pyqtSignal(list)
92	newModelSignal = QtCore.pyqtSignal()
93	fittingFinishedSignal = QtCore.pyqtSignal(tuple)
94	batchFittingFinishedSignal = QtCore.pyqtSignal(tuple)
95	Calc1DFinishedSignal = QtCore.pyqtSignal(tuple)
96	Calc2DFinishedSignal = QtCore.pyqtSignal(tuple)
97
98	def __init__(self, parent=None, data=None, tab_id=1):
99
100	super(FittingWidget, self).__init__()
101
102	# Necessary globals
103	self.parent = parent
104
105	# Which tab is this widget displayed in?
106	self.tab_id = tab_id
107
108	# Globals
109	self.initializeGlobals()
110
111	# data index for the batch set
112	self.data_index = 0
113	# Main Data[12]D holders
114	# Logics.data contains a single Data1D/Data2D object
115	self._logic = [FittingLogic()]
116
117	# Main GUI setup up
118	self.setupUi(self)
119	self.setWindowTitle("Fitting")
120
121	# Set up tabs widgets
122	self.initializeWidgets()
123
124	# Set up models and views
125	self.initializeModels()
126
127	# Defaults for the structure factors
128	self.setDefaultStructureCombo()
129
130	# Make structure factor and model CBs disabled
131	self.disableModelCombo()
132	self.disableStructureCombo()
133
134	# Generate the category list for display
135	self.initializeCategoryCombo()
136
137	# Initial control state
138	self.initializeControls()
139
140	QtWidgets.QApplication.processEvents()
141
142	# Connect signals to controls
143	self.initializeSignals()
144
145	if data is not None:
146	self.data = data
147
148	# New font to display angstrom symbol
149	new_font = 'font-family: -apple-system, "Helvetica Neue", "Ubuntu";'
150	self.label_17.setStyleSheet(new_font)
151	self.label_19.setStyleSheet(new_font)
152
153	@property
154	def logic(self):
155	# make sure the logic contains at least one element
156	assert self._logic
157	# logic connected to the currently shown data
158	return self._logic[self.data_index]
159
160	@property
161	def data(self):
162	return self.logic.data
163
164	@data.setter
165	def data(self, value):
166	""" data setter """
167	# Value is either a list of indices for batch fitting or a simple index
168	# for standard fitting. Assure we have a list, regardless.
169	if isinstance(value, list):
170	self.is_batch_fitting = True
171	else:
172	value = [value]
173
174	assert isinstance(value[0], QtGui.QStandardItem)
175
176	# Keep reference to all datasets for batch
177	self.all_data = value
178
179	# Create logics with data items
180	# Logics.data contains only a single Data1D/Data2D object
181	if len(value) == 1:
182	# single data logic is already defined, update data on it
183	self._logic[0].data = GuiUtils.dataFromItem(value[0])
184	else:
185	# batch datasets
186	for data_item in value:
187	logic = FittingLogic(data=GuiUtils.dataFromItem(data_item))
188	self._logic.append(logic)
189
190	# Overwrite data type descriptor
191	self.is2D = True if isinstance(self.logic.data, Data2D) else False
192
193	# Let others know we're full of data now
194	self.data_is_loaded = True
195
196	# Enable/disable UI components
197	self.setEnablementOnDataLoad()
198
199	def initializeGlobals(self):
200	"""
201	Initialize global variables used in this class
202	"""
203	# SasModel is loaded
204	self.model_is_loaded = False
205	# Data[12]D passed and set
206	self.data_is_loaded = False
207	# Batch/single fitting
208	self.is_batch_fitting = False
209	self.is_chain_fitting = False
210	# Is the fit job running?
211	self.fit_started = False
212	# The current fit thread
213	self.calc_fit = None
214	# Current SasModel in view
215	self.kernel_module = None
216	# Current SasModel view dimension
217	self.is2D = False
218	# Current SasModel is multishell
219	self.model_has_shells = False
220	# Utility variable to enable unselectable option in category combobox
221	self._previous_category_index = 0
222	# Utility variable for multishell display
223	self._last_model_row = 0
224	# Dictionary of {model name: model class} for the current category
225	self.models = {}
226	# Parameters to fit
227	self.parameters_to_fit = None
228	# Fit options
229	self.q_range_min = 0.005
230	self.q_range_max = 0.1
231	self.npts = 25
232	self.log_points = False
233	self.weighting = 0
234	self.chi2 = None
235	# Does the control support UNDO/REDO
236	# temporarily off
237	self.undo_supported = False
238	self.page_stack = []
239	self.all_data = []
240	# custom plugin models
241	# {model.name:model}
242	self.custom_models = self.customModels()
243	# Polydisp widget table default index for function combobox
244	self.orig_poly_index = 3
245	# copy of current kernel model
246	self.kernel_module_copy = None
247
248	# Page id for fitting
249	# To keep with previous SasView values, use 200 as the start offset
250	self.page_id = 200 + self.tab_id
251
252	# Data for chosen model
253	self.model_data = None
254
255	# Which shell is being currently displayed?
256	self.current_shell_displayed = 0
257	# List of all shell-unique parameters
258	self.shell_names = []
259
260	# Error column presence in parameter display
261	self.has_error_column = False
262	self.has_poly_error_column = False
263	self.has_magnet_error_column = False
264
265	# signal communicator
266	self.communicate = self.parent.communicate
267
268	def initializeWidgets(self):
269	"""
270	Initialize widgets for tabs
271	"""
272	# Options widget
273	layout = QtWidgets.QGridLayout()
274	self.options_widget = OptionsWidget(self, self.logic)
275	layout.addWidget(self.options_widget)
276	self.tabOptions.setLayout(layout)
277
278	# Smearing widget
279	layout = QtWidgets.QGridLayout()
280	self.smearing_widget = SmearingWidget(self)
281	layout.addWidget(self.smearing_widget)
282	self.tabResolution.setLayout(layout)
283
284	# Define bold font for use in various controls
285	self.boldFont = QtGui.QFont()
286	self.boldFont.setBold(True)
287
288	# Set data label
289	self.label.setFont(self.boldFont)
290	self.label.setText("No data loaded")
291	self.lblFilename.setText("")
292
293	# Magnetic angles explained in one picture
294	self.magneticAnglesWidget = QtWidgets.QWidget()
295	labl = QtWidgets.QLabel(self.magneticAnglesWidget)
296	pixmap = QtGui.QPixmap(GuiUtils.IMAGES_DIRECTORY_LOCATION + '/M_angles_pic.bmp')
297	labl.setPixmap(pixmap)
298	self.magneticAnglesWidget.setFixedSize(pixmap.width(), pixmap.height())
299
300	def initializeModels(self):
301	"""
302	Set up models and views
303	"""
304	# Set the main models
305	# We can't use a single model here, due to restrictions on flattening
306	# the model tree with subclassed QAbstractProxyModel...
307	self._model_model = ToolTippedItemModel()
308	self._poly_model = ToolTippedItemModel()
309	self._magnet_model = ToolTippedItemModel()
310
311	# Param model displayed in param list
312	self.lstParams.setModel(self._model_model)
313	self.readCategoryInfo()
314
315	self.model_parameters = None
316
317	# Delegates for custom editing and display
318	self.lstParams.setItemDelegate(ModelViewDelegate(self))
319
320	self.lstParams.setAlternatingRowColors(True)
321	stylesheet = """
322
323	QTreeView {
324	paint-alternating-row-colors-for-empty-area:0;
325	}
326
327	QTreeView::item {
328	border: 1px;
329	padding: 2px 1px;
330	}
331
332	QTreeView::item:hover {
333	background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #e7effd, stop: 1 #cbdaf1);
334	border: 1px solid #bfcde4;
335	}
336
337	QTreeView::item:selected {
338	border: 1px solid #567dbc;
339	}
340
341	QTreeView::item:selected:active{
342	background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6ea1f1, stop: 1 #567dbc);
343	}
344
345	QTreeView::item:selected:!active {
346	background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6b9be8, stop: 1 #577fbf);
347	}
348	"""
349	self.lstParams.setStyleSheet(stylesheet)
350	self.lstParams.setContextMenuPolicy(QtCore.Qt.CustomContextMenu)
351	self.lstParams.customContextMenuRequested.connect(self.showModelContextMenu)
352	self.lstParams.setAttribute(QtCore.Qt.WA_MacShowFocusRect, False)
353	# Poly model displayed in poly list
354	self.lstPoly.setModel(self._poly_model)
355	self.setPolyModel()
356	self.setTableProperties(self.lstPoly)
357	# Delegates for custom editing and display
358	self.lstPoly.setItemDelegate(PolyViewDelegate(self))
359	# Polydispersity function combo response
360	self.lstPoly.itemDelegate().combo_updated.connect(self.onPolyComboIndexChange)
361	self.lstPoly.itemDelegate().filename_updated.connect(self.onPolyFilenameChange)
362
363	# Magnetism model displayed in magnetism list
364	self.lstMagnetic.setModel(self._magnet_model)
365	self.setMagneticModel()
366	self.setTableProperties(self.lstMagnetic)
367	# Delegates for custom editing and display
368	self.lstMagnetic.setItemDelegate(MagnetismViewDelegate(self))
369
370	def initializeCategoryCombo(self):
371	"""
372	Model category combo setup
373	"""
374	category_list = sorted(self.master_category_dict.keys())
375	self.cbCategory.addItem(CATEGORY_DEFAULT)
376	self.cbCategory.addItems(category_list)
377	if CATEGORY_STRUCTURE not in category_list:
378	self.cbCategory.addItem(CATEGORY_STRUCTURE)
379	self.cbCategory.setCurrentIndex(0)
380
381	def setEnablementOnDataLoad(self):
382	"""
383	Enable/disable various UI elements based on data loaded
384	"""
385	# Tag along functionality
386	self.label.setText("Data loaded from: ")
387	self.lblFilename.setText(self.logic.data.filename)
388	self.updateQRange()
389	# Switch off Data2D control
390	self.chk2DView.setEnabled(False)
391	self.chk2DView.setVisible(False)
392	self.chkMagnetism.setEnabled(self.is2D)
393	self.tabFitting.setTabEnabled(TAB_MAGNETISM, self.chkMagnetism.isChecked())
394	# Combo box or label for file name"
395	if self.is_batch_fitting:
396	self.lblFilename.setVisible(False)
397	for dataitem in self.all_data:
398	filename = GuiUtils.dataFromItem(dataitem).filename
399	self.cbFileNames.addItem(filename)
400	self.cbFileNames.setVisible(True)
401	self.chkChainFit.setEnabled(True)
402	self.chkChainFit.setVisible(True)
403	# This panel is not designed to view individual fits, so disable plotting
404	self.cmdPlot.setVisible(False)
405	# Similarly on other tabs
406	self.options_widget.setEnablementOnDataLoad()
407	self.onSelectModel()
408	# Smearing tab
409	self.smearing_widget.updateData(self.data)
410
411	def acceptsData(self):
412	""" Tells the caller this widget can accept new dataset """
413	return not self.data_is_loaded
414
415	def disableModelCombo(self):
416	""" Disable the combobox """
417	self.cbModel.setEnabled(False)
418	self.lblModel.setEnabled(False)
419
420	def enableModelCombo(self):
421	""" Enable the combobox """
422	self.cbModel.setEnabled(True)
423	self.lblModel.setEnabled(True)
424
425	def disableStructureCombo(self):
426	""" Disable the combobox """
427	self.cbStructureFactor.setEnabled(False)
428	self.lblStructure.setEnabled(False)
429
430	def enableStructureCombo(self):
431	""" Enable the combobox """
432	self.cbStructureFactor.setEnabled(True)
433	self.lblStructure.setEnabled(True)
434
435	def togglePoly(self, isChecked):
436	""" Enable/disable the polydispersity tab """
437	self.tabFitting.setTabEnabled(TAB_POLY, isChecked)
438
439	def toggleMagnetism(self, isChecked):
440	""" Enable/disable the magnetism tab """
441	self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked)
442
443	def toggleChainFit(self, isChecked):
444	""" Enable/disable chain fitting """
445	self.is_chain_fitting = isChecked
446
447	def toggle2D(self, isChecked):
448	""" Enable/disable the controls dependent on 1D/2D data instance """
449	self.chkMagnetism.setEnabled(isChecked)
450	self.is2D = isChecked
451	# Reload the current model
452	if self.kernel_module:
453	self.onSelectModel()
454
455	@classmethod
456	def customModels(cls):
457	""" Reads in file names in the custom plugin directory """
458	return ModelUtilities._find_models()
459
460	def initializeControls(self):
461	"""
462	Set initial control enablement
463	"""
464	self.cbFileNames.setVisible(False)
465	self.cmdFit.setEnabled(False)
466	self.cmdPlot.setEnabled(False)
467	self.options_widget.cmdComputePoints.setVisible(False) # probably redundant
468	self.chkPolydispersity.setEnabled(True)
469	self.chkPolydispersity.setCheckState(False)
470	self.chk2DView.setEnabled(True)
471	self.chk2DView.setCheckState(False)
472	self.chkMagnetism.setEnabled(False)
473	self.chkMagnetism.setCheckState(False)
474	self.chkChainFit.setEnabled(False)
475	self.chkChainFit.setVisible(False)
476	# Tabs
477	self.tabFitting.setTabEnabled(TAB_POLY, False)
478	self.tabFitting.setTabEnabled(TAB_MAGNETISM, False)
479	self.lblChi2Value.setText("---")
480	# Smearing tab
481	self.smearing_widget.updateData(self.data)
482	# Line edits in the option tab
483	self.updateQRange()
484
485	def initializeSignals(self):
486	"""
487	Connect GUI element signals
488	"""
489	# Comboboxes
490	self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor)
491	self.cbCategory.currentIndexChanged.connect(self.onSelectCategory)
492	self.cbModel.currentIndexChanged.connect(self.onSelectModel)
493	self.cbFileNames.currentIndexChanged.connect(self.onSelectBatchFilename)
494	# Checkboxes
495	self.chk2DView.toggled.connect(self.toggle2D)
496	self.chkPolydispersity.toggled.connect(self.togglePoly)
497	self.chkMagnetism.toggled.connect(self.toggleMagnetism)
498	self.chkChainFit.toggled.connect(self.toggleChainFit)
499	# Buttons
500	self.cmdFit.clicked.connect(self.onFit)
501	self.cmdPlot.clicked.connect(self.onPlot)
502	self.cmdHelp.clicked.connect(self.onHelp)
503	self.cmdMagneticDisplay.clicked.connect(self.onDisplayMagneticAngles)
504
505	# Respond to change in parameters from the UI
506	self._model_model.itemChanged.connect(self.onMainParamsChange)
507	#self.constraintAddedSignal.connect(self.modifyViewOnConstraint)
508	self._poly_model.itemChanged.connect(self.onPolyModelChange)
509	self._magnet_model.itemChanged.connect(self.onMagnetModelChange)
510	self.lstParams.selectionModel().selectionChanged.connect(self.onSelectionChanged)
511
512	# Local signals
513	self.batchFittingFinishedSignal.connect(self.batchFitComplete)
514	self.fittingFinishedSignal.connect(self.fitComplete)
515	self.Calc1DFinishedSignal.connect(self.complete1D)
516	self.Calc2DFinishedSignal.connect(self.complete2D)
517
518	# Signals from separate tabs asking for replot
519	self.options_widget.plot_signal.connect(self.onOptionsUpdate)
520	self.options_widget.plot_signal.connect(self.onOptionsUpdate)
521
522	# Signals from other widgets
523	self.communicate.customModelDirectoryChanged.connect(self.onCustomModelChange)
524	self.communicate.saveAnalysisSignal.connect(self.savePageState)
525	self.smearing_widget.smearingChangedSignal.connect(self.onSmearingOptionsUpdate)
526	self.communicate.copyFitParamsSignal.connect(self.onParameterCopy)
527	self.communicate.pasteFitParamsSignal.connect(self.onParameterPaste)
528
529	# Communicator signal
530	self.communicate.updateModelCategoriesSignal.connect(self.onCategoriesChanged)
531
532	def modelName(self):
533	"""
534	Returns model name, by default M<tab#>, e.g. M1, M2
535	"""
536	return "M%i" % self.tab_id
537
538	def nameForFittedData(self, name):
539	"""
540	Generate name for the current fit
541	"""
542	if self.is2D:
543	name += "2d"
544	name = "%s [%s]" % (self.modelName(), name)
545	return name
546
547	def showModelContextMenu(self, position):
548	"""
549	Show context specific menu in the parameter table.
550	When clicked on parameter(s): fitting/constraints options
551	When clicked on white space: model description
552	"""
553	rows = [s.row() for s in self.lstParams.selectionModel().selectedRows()]
554	menu = self.showModelDescription() if not rows else self.modelContextMenu(rows)
555	try:
556	menu.exec_(self.lstParams.viewport().mapToGlobal(position))
557	except AttributeError as ex:
558	logging.error("Error generating context menu: %s" % ex)
559	return
560
561	def modelContextMenu(self, rows):
562	"""
563	Create context menu for the parameter selection
564	"""
565	menu = QtWidgets.QMenu()
566	num_rows = len(rows)
567	if num_rows < 1:
568	return menu
569	# Select for fitting
570	param_string = "parameter " if num_rows == 1 else "parameters "
571	to_string = "to its current value" if num_rows == 1 else "to their current values"
572	has_constraints = any([self.rowHasConstraint(i) for i in rows])
573
574	self.actionSelect = QtWidgets.QAction(self)
575	self.actionSelect.setObjectName("actionSelect")
576	self.actionSelect.setText(QtCore.QCoreApplication.translate("self", "Select "+param_string+" for fitting"))
577	# Unselect from fitting
578	self.actionDeselect = QtWidgets.QAction(self)
579	self.actionDeselect.setObjectName("actionDeselect")
580	self.actionDeselect.setText(QtCore.QCoreApplication.translate("self", "De-select "+param_string+" from fitting"))
581
582	self.actionConstrain = QtWidgets.QAction(self)
583	self.actionConstrain.setObjectName("actionConstrain")
584	self.actionConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain "+param_string + to_string))
585
586	self.actionRemoveConstraint = QtWidgets.QAction(self)
587	self.actionRemoveConstraint.setObjectName("actionRemoveConstrain")
588	self.actionRemoveConstraint.setText(QtCore.QCoreApplication.translate("self", "Remove constraint"))
589
590	self.actionMultiConstrain = QtWidgets.QAction(self)
591	self.actionMultiConstrain.setObjectName("actionMultiConstrain")
592	self.actionMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain selected parameters to their current values"))
593
594	self.actionMutualMultiConstrain = QtWidgets.QAction(self)
595	self.actionMutualMultiConstrain.setObjectName("actionMutualMultiConstrain")
596	self.actionMutualMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Mutual constrain of selected parameters..."))
597
598	menu.addAction(self.actionSelect)
599	menu.addAction(self.actionDeselect)
600	menu.addSeparator()
601
602	if has_constraints:
603	menu.addAction(self.actionRemoveConstraint)
604	#if num_rows == 1:
605	# menu.addAction(self.actionEditConstraint)
606	else:
607	menu.addAction(self.actionConstrain)
608	if num_rows == 2:
609	menu.addAction(self.actionMutualMultiConstrain)
610
611	# Define the callbacks
612	self.actionConstrain.triggered.connect(self.addSimpleConstraint)
613	self.actionRemoveConstraint.triggered.connect(self.deleteConstraint)
614	self.actionMutualMultiConstrain.triggered.connect(self.showMultiConstraint)
615	self.actionSelect.triggered.connect(self.selectParameters)
616	self.actionDeselect.triggered.connect(self.deselectParameters)
617	return menu
618
619	def showMultiConstraint(self):
620	"""
621	Show the constraint widget and receive the expression
622	"""
623	selected_rows = self.lstParams.selectionModel().selectedRows()
624	# There have to be only two rows selected. The caller takes care of that
625	# but let's check the correctness.
626	assert len(selected_rows) == 2
627
628	params_list = [s.data() for s in selected_rows]
629	# Create and display the widget for param1 and param2
630	mc_widget = MultiConstraint(self, params=params_list)
631	if mc_widget.exec_() != QtWidgets.QDialog.Accepted:
632	return
633
634	constraint = Constraint()
635	c_text = mc_widget.txtConstraint.text()
636
637	# widget.params[0] is the parameter we're constraining
638	constraint.param = mc_widget.params[0]
639	# parameter should have the model name preamble
640	model_name = self.kernel_module.name
641	# param_used is the parameter we're using in constraining function
642	param_used = mc_widget.params[1]
643	# Replace param_used with model_name.param_used
644	updated_param_used = model_name + "." + param_used
645	new_func = c_text.replace(param_used, updated_param_used)
646	constraint.func = new_func
647	# Which row is the constrained parameter in?
648	row = self.getRowFromName(constraint.param)
649
650	# Create a new item and add the Constraint object as a child
651	self.addConstraintToRow(constraint=constraint, row=row)
652
653	def getRowFromName(self, name):
654	"""
655	Given parameter name get the row number in self._model_model
656	"""
657	for row in range(self._model_model.rowCount()):
658	row_name = self._model_model.item(row).text()
659	if row_name == name:
660	return row
661	return None
662
663	def getParamNames(self):
664	"""
665	Return list of all parameters for the current model
666	"""
667	return [self._model_model.item(row).text() for row in range(self._model_model.rowCount())]
668
669	def modifyViewOnRow(self, row, font=None, brush=None):
670	"""
671	Chage how the given row of the main model is shown
672	"""
673	fields_enabled = False
674	if font is None:
675	font = QtGui.QFont()
676	fields_enabled = True
677	if brush is None:
678	brush = QtGui.QBrush()
679	fields_enabled = True
680	self._model_model.blockSignals(True)
681	# Modify font and foreground of affected rows
682	for column in range(0, self._model_model.columnCount()):
683	self._model_model.item(row, column).setForeground(brush)
684	self._model_model.item(row, column).setFont(font)
685	self._model_model.item(row, column).setEditable(fields_enabled)
686	self._model_model.blockSignals(False)
687
688	def addConstraintToRow(self, constraint=None, row=0):
689	"""
690	Adds the constraint object to requested row
691	"""
692	# Create a new item and add the Constraint object as a child
693	assert isinstance(constraint, Constraint)
694	assert 0 <= row <= self._model_model.rowCount()
695
696	item = QtGui.QStandardItem()
697	item.setData(constraint)
698	self._model_model.item(row, 1).setChild(0, item)
699	# Set min/max to the value constrained
700	self.constraintAddedSignal.emit([row])
701	# Show visual hints for the constraint
702	font = QtGui.QFont()
703	font.setItalic(True)
704	brush = QtGui.QBrush(QtGui.QColor('blue'))
705	self.modifyViewOnRow(row, font=font, brush=brush)
706	self.communicate.statusBarUpdateSignal.emit('Constraint added')
707
708	def addSimpleConstraint(self):
709	"""
710	Adds a constraint on a single parameter.
711	"""
712	min_col = self.lstParams.itemDelegate().param_min
713	max_col = self.lstParams.itemDelegate().param_max
714	for row in self.selectedParameters():
715	param = self._model_model.item(row, 0).text()
716	value = self._model_model.item(row, 1).text()
717	min_t = self._model_model.item(row, min_col).text()
718	max_t = self._model_model.item(row, max_col).text()
719	# Create a Constraint object
720	constraint = Constraint(param=param, value=value, min=min_t, max=max_t)
721	# Create a new item and add the Constraint object as a child
722	item = QtGui.QStandardItem()
723	item.setData(constraint)
724	self._model_model.item(row, 1).setChild(0, item)
725	# Assumed correctness from the validator
726	value = float(value)
727	# BUMPS calculates log(max-min) without any checks, so let's assign minor range
728	min_v = value - (value/10000.0)
729	max_v = value + (value/10000.0)
730	# Set min/max to the value constrained
731	self._model_model.item(row, min_col).setText(str(min_v))
732	self._model_model.item(row, max_col).setText(str(max_v))
733	self.constraintAddedSignal.emit([row])
734	# Show visual hints for the constraint
735	font = QtGui.QFont()
736	font.setItalic(True)
737	brush = QtGui.QBrush(QtGui.QColor('blue'))
738	self.modifyViewOnRow(row, font=font, brush=brush)
739	self.communicate.statusBarUpdateSignal.emit('Constraint added')
740
741	def deleteConstraint(self):
742	"""
743	Delete constraints from selected parameters.
744	"""
745	params = [s.data() for s in self.lstParams.selectionModel().selectedRows()
746	if self.isCheckable(s.row())]
747	for param in params:
748	self.deleteConstraintOnParameter(param=param)
749
750	def deleteConstraintOnParameter(self, param=None):
751	"""
752	Delete the constraint on model parameter 'param'
753	"""
754	min_col = self.lstParams.itemDelegate().param_min
755	max_col = self.lstParams.itemDelegate().param_max
756	for row in range(self._model_model.rowCount()):
757	if not self.rowHasConstraint(row):
758	continue
759	# Get the Constraint object from of the model item
760	item = self._model_model.item(row, 1)
761	constraint = self.getConstraintForRow(row)
762	if constraint is None:
763	continue
764	if not isinstance(constraint, Constraint):
765	continue
766	if param and constraint.param != param:
767	continue
768	# Now we got the right row. Delete the constraint and clean up
769	# Retrieve old values and put them on the model
770	if constraint.min is not None:
771	self._model_model.item(row, min_col).setText(constraint.min)
772	if constraint.max is not None:
773	self._model_model.item(row, max_col).setText(constraint.max)
774	# Remove constraint item
775	item.removeRow(0)
776	self.constraintAddedSignal.emit([row])
777	self.modifyViewOnRow(row)
778
779	self.communicate.statusBarUpdateSignal.emit('Constraint removed')
780
781	def getConstraintForRow(self, row):
782	"""
783	For the given row, return its constraint, if any
784	"""
785	try:
786	item = self._model_model.item(row, 1)
787	return item.child(0).data()
788	except AttributeError:
789	# return none when no constraints
790	return None
791
792	def rowHasConstraint(self, row):
793	"""
794	Finds out if row of the main model has a constraint child
795	"""
796	item = self._model_model.item(row, 1)
797	if item.hasChildren():
798	c = item.child(0).data()
799	if isinstance(c, Constraint):
800	return True
801	return False
802
803	def rowHasActiveConstraint(self, row):
804	"""
805	Finds out if row of the main model has an active constraint child
806	"""
807	item = self._model_model.item(row, 1)
808	if item.hasChildren():
809	c = item.child(0).data()
810	if isinstance(c, Constraint) and c.active:
811	return True
812	return False
813
814	def rowHasActiveComplexConstraint(self, row):
815	"""
816	Finds out if row of the main model has an active, nontrivial constraint child
817	"""
818	item = self._model_model.item(row, 1)
819	if item.hasChildren():
820	c = item.child(0).data()
821	if isinstance(c, Constraint) and c.func and c.active:
822	return True
823	return False
824
825	def selectParameters(self):
826	"""
827	Selected parameter is chosen for fitting
828	"""
829	status = QtCore.Qt.Checked
830	self.setParameterSelection(status)
831
832	def deselectParameters(self):
833	"""
834	Selected parameters are removed for fitting
835	"""
836	status = QtCore.Qt.Unchecked
837	self.setParameterSelection(status)
838
839	def selectedParameters(self):
840	""" Returns list of selected (highlighted) parameters """
841	return [s.row() for s in self.lstParams.selectionModel().selectedRows()
842	if self.isCheckable(s.row())]
843
844	def setParameterSelection(self, status=QtCore.Qt.Unchecked):
845	"""
846	Selected parameters are chosen for fitting
847	"""
848	# Convert to proper indices and set requested enablement
849	for row in self.selectedParameters():
850	self._model_model.item(row, 0).setCheckState(status)
851
852	def getConstraintsForModel(self):
853	"""
854	Return a list of tuples. Each tuple contains constraints mapped as
855	('constrained parameter', 'function to constrain')
856	e.g. [('sld','5*sld_solvent')]
857	"""
858	param_number = self._model_model.rowCount()
859	params = [(self._model_model.item(s, 0).text(),
860	self._model_model.item(s, 1).child(0).data().func)
861	for s in range(param_number) if self.rowHasActiveConstraint(s)]
862	return params
863
864	def getComplexConstraintsForModel(self):
865	"""
866	Return a list of tuples. Each tuple contains constraints mapped as
867	('constrained parameter', 'function to constrain')
868	e.g. [('sld','5*M2.sld_solvent')].
869	Only for constraints with defined VALUE
870	"""
871	param_number = self._model_model.rowCount()
872	params = [(self._model_model.item(s, 0).text(),
873	self._model_model.item(s, 1).child(0).data().func)
874	for s in range(param_number) if self.rowHasActiveComplexConstraint(s)]
875	return params
876
877	def getConstraintObjectsForModel(self):
878	"""
879	Returns Constraint objects present on the whole model
880	"""
881	param_number = self._model_model.rowCount()
882	constraints = [self._model_model.item(s, 1).child(0).data()
883	for s in range(param_number) if self.rowHasConstraint(s)]
884
885	return constraints
886
887	def getConstraintsForFitting(self):
888	"""
889	Return a list of constraints in format ready for use in fiting
890	"""
891	# Get constraints
892	constraints = self.getComplexConstraintsForModel()
893	# See if there are any constraints across models
894	multi_constraints = [cons for cons in constraints if self.isConstraintMultimodel(cons[1])]
895
896	if multi_constraints:
897	# Let users choose what to do
898	msg = "The current fit contains constraints relying on other fit pages.\n"
899	msg += "Parameters with those constraints are:\n" +\
900	'\n'.join([cons[0] for cons in multi_constraints])
901	msg += "\n\nWould you like to remove these constraints or cancel fitting?"
902	msgbox = QtWidgets.QMessageBox(self)
903	msgbox.setIcon(QtWidgets.QMessageBox.Warning)
904	msgbox.setText(msg)
905	msgbox.setWindowTitle("Existing Constraints")
906	# custom buttons
907	button_remove = QtWidgets.QPushButton("Remove")
908	msgbox.addButton(button_remove, QtWidgets.QMessageBox.YesRole)
909	button_cancel = QtWidgets.QPushButton("Cancel")
910	msgbox.addButton(button_cancel, QtWidgets.QMessageBox.RejectRole)
911	retval = msgbox.exec_()
912	if retval == QtWidgets.QMessageBox.RejectRole:
913	# cancel fit
914	raise ValueError("Fitting cancelled")
915	else:
916	# remove constraint
917	for cons in multi_constraints:
918	self.deleteConstraintOnParameter(param=cons[0])
919	# re-read the constraints
920	constraints = self.getComplexConstraintsForModel()
921
922	return constraints
923
924	def showModelDescription(self):
925	"""
926	Creates a window with model description, when right clicked in the treeview
927	"""
928	msg = 'Model description:\n'
929	if self.kernel_module is not None:
930	if str(self.kernel_module.description).rstrip().lstrip() == '':
931	msg += "Sorry, no information is available for this model."
932	else:
933	msg += self.kernel_module.description + '\n'
934	else:
935	msg += "You must select a model to get information on this"
936
937	menu = QtWidgets.QMenu()
938	label = QtWidgets.QLabel(msg)
939	action = QtWidgets.QWidgetAction(self)
940	action.setDefaultWidget(label)
941	menu.addAction(action)
942	return menu
943
944	def onSelectModel(self):
945	"""
946	Respond to select Model from list event
947	"""
948	model = self.cbModel.currentText()
949
950	# empty combobox forced to be read
951	if not model:
952	return
953	# Reset structure factor
954	self.cbStructureFactor.setCurrentIndex(0)
955
956	# Reset parameters to fit
957	self.parameters_to_fit = None
958	self.has_error_column = False
959	self.has_poly_error_column = False
960
961	self.respondToModelStructure(model=model, structure_factor=None)
962
963	def onSelectBatchFilename(self, data_index):
964	"""
965	Update the logic based on the selected file in batch fitting
966	"""
967	self.data_index = data_index
968	self.updateQRange()
969
970	def onSelectStructureFactor(self):
971	"""
972	Select Structure Factor from list
973	"""
974	model = str(self.cbModel.currentText())
975	category = str(self.cbCategory.currentText())
976	structure = str(self.cbStructureFactor.currentText())
977	if category == CATEGORY_STRUCTURE:
978	model = None
979	self.respondToModelStructure(model=model, structure_factor=structure)
980
981	def onCustomModelChange(self):
982	"""
983	Reload the custom model combobox
984	"""
985	self.custom_models = self.customModels()
986	self.readCustomCategoryInfo()
987	# See if we need to update the combo in-place
988	if self.cbCategory.currentText() != CATEGORY_CUSTOM: return
989
990	current_text = self.cbModel.currentText()
991	self.cbModel.blockSignals(True)
992	self.cbModel.clear()
993	self.cbModel.blockSignals(False)
994	self.enableModelCombo()
995	self.disableStructureCombo()
996	# Retrieve the list of models
997	model_list = self.master_category_dict[CATEGORY_CUSTOM]
998	# Populate the models combobox
999	self.cbModel.addItems(sorted([model for (model, _) in model_list]))
1000	new_index = self.cbModel.findText(current_text)
1001	if new_index != -1:
1002	self.cbModel.setCurrentIndex(self.cbModel.findText(current_text))
1003
1004	def onSelectionChanged(self):
1005	"""
1006	React to parameter selection
1007	"""
1008	rows = self.lstParams.selectionModel().selectedRows()
1009	# Clean previous messages
1010	self.communicate.statusBarUpdateSignal.emit("")
1011	if len(rows) == 1:
1012	# Show constraint, if present
1013	row = rows[0].row()
1014	if self.rowHasConstraint(row):
1015	func = self.getConstraintForRow(row).func
1016	if func is not None:
1017	self.communicate.statusBarUpdateSignal.emit("Active constrain: "+func)
1018
1019	def replaceConstraintName(self, old_name, new_name=""):
1020	"""
1021	Replace names of models in defined constraints
1022	"""
1023	param_number = self._model_model.rowCount()
1024	# loop over parameters
1025	for row in range(param_number):
1026	if self.rowHasConstraint(row):
1027	func = self._model_model.item(row, 1).child(0).data().func
1028	if old_name in func:
1029	new_func = func.replace(old_name, new_name)
1030	self._model_model.item(row, 1).child(0).data().func = new_func
1031
1032	def isConstraintMultimodel(self, constraint):
1033	"""
1034	Check if the constraint function text contains current model name
1035	"""
1036	current_model_name = self.kernel_module.name
1037	if current_model_name in constraint:
1038	return False
1039	else:
1040	return True
1041
1042	def updateData(self):
1043	"""
1044	Helper function for recalculation of data used in plotting
1045	"""
1046	# Update the chart
1047	if self.data_is_loaded:
1048	self.cmdPlot.setText("Show Plot")
1049	self.calculateQGridForModel()
1050	else:
1051	self.cmdPlot.setText("Calculate")
1052	# Create default datasets if no data passed
1053	self.createDefaultDataset()
1054
1055	def respondToModelStructure(self, model=None, structure_factor=None):
1056	# Set enablement on calculate/plot
1057	self.cmdPlot.setEnabled(True)
1058
1059	# kernel parameters -> model_model
1060	self.SASModelToQModel(model, structure_factor)
1061
1062	# Update plot
1063	self.updateData()
1064
1065	# Update state stack
1066	self.updateUndo()
1067
1068	# Let others know
1069	self.newModelSignal.emit()
1070
1071	def onSelectCategory(self):
1072	"""
1073	Select Category from list
1074	"""
1075	category = self.cbCategory.currentText()
1076	# Check if the user chose "Choose category entry"
1077	if category == CATEGORY_DEFAULT:
1078	# if the previous category was not the default, keep it.
1079	# Otherwise, just return
1080	if self._previous_category_index != 0:
1081	# We need to block signals, or else state changes on perceived unchanged conditions
1082	self.cbCategory.blockSignals(True)
1083	self.cbCategory.setCurrentIndex(self._previous_category_index)
1084	self.cbCategory.blockSignals(False)
1085	return
1086
1087	if category == CATEGORY_STRUCTURE:
1088	self.disableModelCombo()
1089	self.enableStructureCombo()
1090	self._model_model.clear()
1091	return
1092
1093	# Safely clear and enable the model combo
1094	self.cbModel.blockSignals(True)
1095	self.cbModel.clear()
1096	self.cbModel.blockSignals(False)
1097	self.enableModelCombo()
1098	self.disableStructureCombo()
1099
1100	self._previous_category_index = self.cbCategory.currentIndex()
1101	# Retrieve the list of models
1102	model_list = self.master_category_dict[category]
1103	# Populate the models combobox
1104	self.cbModel.addItems(sorted([model for (model, _) in model_list]))
1105
1106	def onPolyModelChange(self, item):
1107	"""
1108	Callback method for updating the main model and sasmodel
1109	parameters with the GUI values in the polydispersity view
1110	"""
1111	model_column = item.column()
1112	model_row = item.row()
1113	name_index = self._poly_model.index(model_row, 0)
1114	parameter_name = str(name_index.data()).lower() # "distribution of sld" etc.
1115	if "distribution of" in parameter_name:
1116	# just the last word
1117	parameter_name = parameter_name.rsplit()[-1]
1118
1119	# Extract changed value.
1120	if model_column == self.lstPoly.itemDelegate().poly_parameter:
1121	# Is the parameter checked for fitting?
1122	value = item.checkState()
1123	parameter_name = parameter_name + '.width'
1124	if value == QtCore.Qt.Checked:
1125	self.parameters_to_fit.append(parameter_name)
1126	else:
1127	if parameter_name in self.parameters_to_fit:
1128	self.parameters_to_fit.remove(parameter_name)
1129	self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded)
1130	return
1131	elif model_column in [self.lstPoly.itemDelegate().poly_min, self.lstPoly.itemDelegate().poly_max]:
1132	try:
1133	value = GuiUtils.toDouble(item.text())
1134	except TypeError:
1135	# Can't be converted properly, bring back the old value and exit
1136	return
1137
1138	current_details = self.kernel_module.details[parameter_name]
1139	current_details[model_column-1] = value
1140	elif model_column == self.lstPoly.itemDelegate().poly_function:
1141	# name of the function - just pass
1142	return
1143	else:
1144	try:
1145	value = GuiUtils.toDouble(item.text())
1146	except TypeError:
1147	# Can't be converted properly, bring back the old value and exit
1148	return
1149
1150	# Update the sasmodel
1151	# PD[ratio] -> width, npts -> npts, nsigs -> nsigmas
1152	self.kernel_module.setParam(parameter_name + '.' + \
1153	self.lstPoly.itemDelegate().columnDict()[model_column], value)
1154
1155	# Update plot
1156	self.updateData()
1157
1158	def onMagnetModelChange(self, item):
1159	"""
1160	Callback method for updating the sasmodel magnetic parameters with the GUI values
1161	"""
1162	model_column = item.column()
1163	model_row = item.row()
1164	name_index = self._magnet_model.index(model_row, 0)
1165	parameter_name = str(self._magnet_model.data(name_index))
1166
1167	if model_column == 0:
1168	value = item.checkState()
1169	if value == QtCore.Qt.Checked:
1170	self.parameters_to_fit.append(parameter_name)
1171	else:
1172	if parameter_name in self.parameters_to_fit:
1173	self.parameters_to_fit.remove(parameter_name)
1174	self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded)
1175	# Update state stack
1176	self.updateUndo()
1177	return
1178
1179	# Extract changed value.
1180	try:
1181	value = GuiUtils.toDouble(item.text())
1182	except TypeError:
1183	# Unparsable field
1184	return
1185
1186	property_index = self._magnet_model.headerData(1, model_column)-1 # Value, min, max, etc.
1187
1188	# Update the parameter value - note: this supports +/-inf as well
1189	self.kernel_module.params[parameter_name] = value
1190
1191	# min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf]
1192	self.kernel_module.details[parameter_name][property_index] = value
1193
1194	# Force the chart update when actual parameters changed
1195	if model_column == 1:
1196	self.recalculatePlotData()
1197
1198	# Update state stack
1199	self.updateUndo()
1200
1201	def onHelp(self):
1202	"""
1203	Show the "Fitting" section of help
1204	"""
1205	tree_location = "/user/qtgui/Perspectives/Fitting/"
1206
1207	# Actual file will depend on the current tab
1208	tab_id = self.tabFitting.currentIndex()
1209	helpfile = "fitting.html"
1210	if tab_id == 0:
1211	helpfile = "fitting_help.html"
1212	elif tab_id == 1:
1213	helpfile = "residuals_help.html"
1214	elif tab_id == 2:
1215	helpfile = "resolution.html"
1216	elif tab_id == 3:
1217	helpfile = "pd/polydispersity.html"
1218	elif tab_id == 4:
1219	helpfile = "magnetism/magnetism.html"
1220	help_location = tree_location + helpfile
1221
1222	self.showHelp(help_location)
1223
1224	def showHelp(self, url):
1225	"""
1226	Calls parent's method for opening an HTML page
1227	"""
1228	self.parent.showHelp(url)
1229
1230	def onDisplayMagneticAngles(self):
1231	"""
1232	Display a simple image showing direction of magnetic angles
1233	"""
1234	self.magneticAnglesWidget.show()
1235
1236	def onFit(self):
1237	"""
1238	Perform fitting on the current data
1239	"""
1240	if self.fit_started:
1241	self.stopFit()
1242	return
1243
1244	# initialize fitter constants
1245	fit_id = 0
1246	handler = None
1247	batch_inputs = {}
1248	batch_outputs = {}
1249	#---------------------------------
1250	if LocalConfig.USING_TWISTED:
1251	handler = None
1252	updater = None
1253	else:
1254	handler = ConsoleUpdate(parent=self.parent,
1255	manager=self,
1256	improvement_delta=0.1)
1257	updater = handler.update_fit
1258
1259	# Prepare the fitter object
1260	try:
1261	fitters, _ = self.prepareFitters()
1262	except ValueError as ex:
1263	# This should not happen! GUI explicitly forbids this situation
1264	self.communicate.statusBarUpdateSignal.emit(str(ex))
1265	return
1266
1267	# keep local copy of kernel parameters, as they will change during the update
1268	self.kernel_module_copy = copy.deepcopy(self.kernel_module)
1269
1270	# Create the fitting thread, based on the fitter
1271	completefn = self.batchFittingCompleted if self.is_batch_fitting else self.fittingCompleted
1272
1273	self.calc_fit = FitThread(handler=handler,
1274	fn=fitters,
1275	batch_inputs=batch_inputs,
1276	batch_outputs=batch_outputs,
1277	page_id=[[self.page_id]],
1278	updatefn=updater,
1279	completefn=completefn,
1280	reset_flag=self.is_chain_fitting)
1281
1282	if LocalConfig.USING_TWISTED:
1283	# start the trhrhread with twisted
1284	calc_thread = threads.deferToThread(self.calc_fit.compute)
1285	calc_thread.addCallback(completefn)
1286	calc_thread.addErrback(self.fitFailed)
1287	else:
1288	# Use the old python threads + Queue
1289	self.calc_fit.queue()
1290	self.calc_fit.ready(2.5)
1291
1292	self.communicate.statusBarUpdateSignal.emit('Fitting started...')
1293	self.fit_started = True
1294	# Disable some elements
1295	self.setFittingStarted()
1296
1297	def stopFit(self):
1298	"""
1299	Attempt to stop the fitting thread
1300	"""
1301	if self.calc_fit is None or not self.calc_fit.isrunning():
1302	return
1303	self.calc_fit.stop()
1304	#self.fit_started=False
1305	#re-enable the Fit button
1306	self.setFittingStopped()
1307
1308	msg = "Fitting cancelled."
1309	self.communicate.statusBarUpdateSignal.emit(msg)
1310
1311	def updateFit(self):
1312	"""
1313	"""
1314	print("UPDATE FIT")
1315	pass
1316
1317	def fitFailed(self, reason):
1318	"""
1319	"""
1320	self.setFittingStopped()
1321	msg = "Fitting failed with: "+ str(reason)
1322	self.communicate.statusBarUpdateSignal.emit(msg)
1323
1324	def batchFittingCompleted(self, result):
1325	"""
1326	Send the finish message from calculate threads to main thread
1327	"""
1328	if result is None:
1329	result = tuple()
1330	self.batchFittingFinishedSignal.emit(result)
1331
1332	def batchFitComplete(self, result):
1333	"""
1334	Receive and display batch fitting results
1335	"""
1336	#re-enable the Fit button
1337	self.setFittingStopped()
1338
1339	if len(result) == 0:
1340	msg = "Fitting failed."
1341	self.communicate.statusBarUpdateSignal.emit(msg)
1342	return
1343
1344	# Show the grid panel
1345	self.communicate.sendDataToGridSignal.emit(result[0])
1346
1347	elapsed = result[1]
1348	msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed)
1349	self.communicate.statusBarUpdateSignal.emit(msg)
1350
1351	# Run over the list of results and update the items
1352	for res_index, res_list in enumerate(result[0]):
1353	# results
1354	res = res_list[0]
1355	param_dict = self.paramDictFromResults(res)
1356
1357	# create local kernel_module
1358	kernel_module = FittingUtilities.updateKernelWithResults(self.kernel_module, param_dict)
1359	# pull out current data
1360	data = self._logic[res_index].data
1361
1362	# Switch indexes
1363	self.onSelectBatchFilename(res_index)
1364
1365	method = self.complete1D if isinstance(self.data, Data1D) else self.complete2D
1366	self.calculateQGridForModelExt(data=data, model=kernel_module, completefn=method, use_threads=False)
1367
1368	# Restore original kernel_module, so subsequent fits on the same model don't pick up the new params
1369	if self.kernel_module is not None:
1370	self.kernel_module = copy.deepcopy(self.kernel_module_copy)
1371
1372	def paramDictFromResults(self, results):
1373	"""
1374	Given the fit results structure, pull out optimized parameters and return them as nicely
1375	formatted dict
1376	"""
1377	if results.fitness is None or \
1378	not np.isfinite(results.fitness) or \
1379	np.any(results.pvec is None) or \
1380	not np.all(np.isfinite(results.pvec)):
1381	msg = "Fitting did not converge!"
1382	self.communicate.statusBarUpdateSignal.emit(msg)
1383	msg += results.mesg
1384	logging.error(msg)
1385	return
1386
1387	param_list = results.param_list # ['radius', 'radius.width']
1388	param_values = results.pvec # array([ 0.36221662, 0.0146783 ])
1389	param_stderr = results.stderr # array([ 1.71293015, 1.71294233])
1390	params_and_errors = list(zip(param_values, param_stderr))
1391	param_dict = dict(zip(param_list, params_and_errors))
1392
1393	return param_dict
1394
1395	def fittingCompleted(self, result):
1396	"""
1397	Send the finish message from calculate threads to main thread
1398	"""
1399	if result is None:
1400	result = tuple()
1401	self.fittingFinishedSignal.emit(result)
1402
1403	def fitComplete(self, result):
1404	"""
1405	Receive and display fitting results
1406	"result" is a tuple of actual result list and the fit time in seconds
1407	"""
1408	#re-enable the Fit button
1409	self.setFittingStopped()
1410
1411	if len(result) == 0:
1412	msg = "Fitting failed."
1413	self.communicate.statusBarUpdateSignal.emit(msg)
1414	return
1415
1416	res_list = result[0][0]
1417	res = res_list[0]
1418	self.chi2 = res.fitness
1419	param_dict = self.paramDictFromResults(res)
1420
1421	if param_dict is None:
1422	return
1423
1424	elapsed = result[1]
1425	if self.calc_fit._interrupting:
1426	msg = "Fitting cancelled by user after: %s s." % GuiUtils.formatNumber(elapsed)
1427	logging.warning("\n"+msg+"\n")
1428	else:
1429	msg = "Fitting completed successfully in: %s s." % GuiUtils.formatNumber(elapsed)
1430	self.communicate.statusBarUpdateSignal.emit(msg)
1431
1432	# Dictionary of fitted parameter: value, error
1433	# e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)}
1434	self.updateModelFromList(param_dict)
1435
1436	self.updatePolyModelFromList(param_dict)
1437
1438	self.updateMagnetModelFromList(param_dict)
1439
1440	# update charts
1441	self.onPlot()
1442
1443	# Read only value - we can get away by just printing it here
1444	chi2_repr = GuiUtils.formatNumber(self.chi2, high=True)
1445	self.lblChi2Value.setText(chi2_repr)
1446
1447	def prepareFitters(self, fitter=None, fit_id=0):
1448	"""
1449	Prepare the Fitter object for use in fitting
1450	"""
1451	# fitter = None -> single/batch fitting
1452	# fitter = Fit() -> simultaneous fitting
1453
1454	# Data going in
1455	data = self.logic.data
1456	model = self.kernel_module
1457	qmin = self.q_range_min
1458	qmax = self.q_range_max
1459	params_to_fit = self.parameters_to_fit
1460	if not params_to_fit:
1461	raise ValueError('Fitting requires at least one parameter to optimize.')
1462
1463	# Potential smearing added
1464	# Remember that smearing_min/max can be None ->
1465	# deal with it until Python gets discriminated unions
1466	self.addWeightingToData(data)
1467
1468	# Get the constraints.
1469	constraints = self.getComplexConstraintsForModel()
1470	if fitter is None:
1471	# For single fits - check for inter-model constraints
1472	constraints = self.getConstraintsForFitting()
1473
1474	smearer = self.smearing_widget.smearer()
1475	handler = None
1476	batch_inputs = {}
1477	batch_outputs = {}
1478
1479	fitters = []
1480	for fit_index in self.all_data:
1481	fitter_single = Fit() if fitter is None else fitter
1482	data = GuiUtils.dataFromItem(fit_index)
1483	# Potential weights added directly to data
1484	self.addWeightingToData(data)
1485	try:
1486	fitter_single.set_model(model, fit_id, params_to_fit, data=data,
1487	constraints=constraints)
1488	except ValueError as ex:
1489	raise ValueError("Setting model parameters failed with: %s" % ex)
1490
1491	qmin, qmax, _ = self.logic.computeRangeFromData(data)
1492	fitter_single.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin,
1493	qmax=qmax)
1494	fitter_single.select_problem_for_fit(id=fit_id, value=1)
1495	if fitter is None:
1496	# Assign id to the new fitter only
1497	fitter_single.fitter_id = [self.page_id]
1498	fit_id += 1
1499	fitters.append(fitter_single)
1500
1501	return fitters, fit_id
1502
1503	def iterateOverModel(self, func):
1504	"""
1505	Take func and throw it inside the model row loop
1506	"""
1507	for row_i in range(self._model_model.rowCount()):
1508	func(row_i)
1509
1510	def updateModelFromList(self, param_dict):
1511	"""
1512	Update the model with new parameters, create the errors column
1513	"""
1514	assert isinstance(param_dict, dict)
1515	if not dict:
1516	return
1517
1518	def updateFittedValues(row):
1519	# Utility function for main model update
1520	# internal so can use closure for param_dict
1521	param_name = str(self._model_model.item(row, 0).text())
1522	if param_name not in list(param_dict.keys()):
1523	return
1524	# modify the param value
1525	param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1526	self._model_model.item(row, 1).setText(param_repr)
1527	if self.has_error_column:
1528	error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1529	self._model_model.item(row, 2).setText(error_repr)
1530
1531	def updatePolyValues(row):
1532	# Utility function for updateof polydispersity part of the main model
1533	param_name = str(self._model_model.item(row, 0).text())+'.width'
1534	if param_name not in list(param_dict.keys()):
1535	return
1536	# modify the param value
1537	param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1538	self._model_model.item(row, 0).child(0).child(0,1).setText(param_repr)
1539
1540	def createErrorColumn(row):
1541	# Utility function for error column update
1542	item = QtGui.QStandardItem()
1543	def createItem(param_name):
1544	error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1545	item.setText(error_repr)
1546	def curr_param():
1547	return str(self._model_model.item(row, 0).text())
1548
1549	[createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name]
1550
1551	error_column.append(item)
1552
1553	# block signals temporarily, so we don't end up
1554	# updating charts with every single model change on the end of fitting
1555	self._model_model.blockSignals(True)
1556	self.iterateOverModel(updateFittedValues)
1557	self.iterateOverModel(updatePolyValues)
1558	self._model_model.blockSignals(False)
1559
1560	if self.has_error_column:
1561	return
1562
1563	error_column = []
1564	self.lstParams.itemDelegate().addErrorColumn()
1565	self.iterateOverModel(createErrorColumn)
1566
1567	# switch off reponse to model change
1568	self._model_model.insertColumn(2, error_column)
1569	FittingUtilities.addErrorHeadersToModel(self._model_model)
1570	# Adjust the table cells width.
1571	# TODO: find a way to dynamically adjust column width while resized expanding
1572	self.lstParams.resizeColumnToContents(0)
1573	self.lstParams.resizeColumnToContents(4)
1574	self.lstParams.resizeColumnToContents(5)
1575	self.lstParams.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
1576
1577	self.has_error_column = True
1578
1579	def iterateOverPolyModel(self, func):
1580	"""
1581	Take func and throw it inside the poly model row loop
1582	"""
1583	for row_i in range(self._poly_model.rowCount()):
1584	func(row_i)
1585
1586	def updatePolyModelFromList(self, param_dict):
1587	"""
1588	Update the polydispersity model with new parameters, create the errors column
1589	"""
1590	assert isinstance(param_dict, dict)
1591	if not dict:
1592	return
1593
1594	def updateFittedValues(row_i):
1595	# Utility function for main model update
1596	# internal so can use closure for param_dict
1597	if row_i >= self._poly_model.rowCount():
1598	return
1599	param_name = str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width'
1600	if param_name not in list(param_dict.keys()):
1601	return
1602	# modify the param value
1603	param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1604	self._poly_model.item(row_i, 1).setText(param_repr)
1605	if self.has_poly_error_column:
1606	error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1607	self._poly_model.item(row_i, 2).setText(error_repr)
1608
1609
1610	def createErrorColumn(row_i):
1611	# Utility function for error column update
1612	if row_i >= self._poly_model.rowCount():
1613	return
1614	item = QtGui.QStandardItem()
1615
1616	def createItem(param_name):
1617	error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1618	item.setText(error_repr)
1619
1620	def poly_param():
1621	return str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width'
1622
1623	[createItem(param_name) for param_name in list(param_dict.keys()) if poly_param() == param_name]
1624
1625	error_column.append(item)
1626
1627	# block signals temporarily, so we don't end up
1628	# updating charts with every single model change on the end of fitting
1629	self._poly_model.blockSignals(True)
1630	self.iterateOverPolyModel(updateFittedValues)
1631	self._poly_model.blockSignals(False)
1632
1633	if self.has_poly_error_column:
1634	return
1635
1636	self.lstPoly.itemDelegate().addErrorColumn()
1637	error_column = []
1638	self.iterateOverPolyModel(createErrorColumn)
1639
1640	# switch off reponse to model change
1641	self._poly_model.blockSignals(True)
1642	self._poly_model.insertColumn(2, error_column)
1643	self._poly_model.blockSignals(False)
1644	FittingUtilities.addErrorPolyHeadersToModel(self._poly_model)
1645
1646	self.has_poly_error_column = True
1647
1648	def iterateOverMagnetModel(self, func):
1649	"""
1650	Take func and throw it inside the magnet model row loop
1651	"""
1652	for row_i in range(self._model_model.rowCount()):
1653	func(row_i)
1654
1655	def updateMagnetModelFromList(self, param_dict):
1656	"""
1657	Update the magnetic model with new parameters, create the errors column
1658	"""
1659	assert isinstance(param_dict, dict)
1660	if not dict:
1661	return
1662	if self._magnet_model.rowCount() == 0:
1663	return
1664
1665	def iterateOverMagnetModel(func):
1666	"""
1667	Take func and throw it inside the magnet model row loop
1668	"""
1669	for row_i in range(self._magnet_model.rowCount()):
1670	func(row_i)
1671
1672	def updateFittedValues(row):
1673	# Utility function for main model update
1674	# internal so can use closure for param_dict
1675	if self._magnet_model.item(row, 0) is None:
1676	return
1677	param_name = str(self._magnet_model.item(row, 0).text())
1678	if param_name not in list(param_dict.keys()):
1679	return
1680	# modify the param value
1681	param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True)
1682	self._magnet_model.item(row, 1).setText(param_repr)
1683	if self.has_magnet_error_column:
1684	error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1685	self._magnet_model.item(row, 2).setText(error_repr)
1686
1687	def createErrorColumn(row):
1688	# Utility function for error column update
1689	item = QtGui.QStandardItem()
1690	def createItem(param_name):
1691	error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
1692	item.setText(error_repr)
1693	def curr_param():
1694	return str(self._magnet_model.item(row, 0).text())
1695
1696	[createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name]
1697
1698	error_column.append(item)
1699
1700	# block signals temporarily, so we don't end up
1701	# updating charts with every single model change on the end of fitting
1702	self._magnet_model.blockSignals(True)
1703	self.iterateOverMagnetModel(updateFittedValues)
1704	self._magnet_model.blockSignals(False)
1705
1706	if self.has_magnet_error_column:
1707	return
1708
1709	self.lstMagnetic.itemDelegate().addErrorColumn()
1710	error_column = []
1711	self.iterateOverMagnetModel(createErrorColumn)
1712
1713	# switch off reponse to model change
1714	self._magnet_model.blockSignals(True)
1715	self._magnet_model.insertColumn(2, error_column)
1716	self._magnet_model.blockSignals(False)
1717	FittingUtilities.addErrorHeadersToModel(self._magnet_model)
1718
1719	self.has_magnet_error_column = True
1720
1721	def onPlot(self):
1722	"""
1723	Plot the current set of data
1724	"""
1725	# Regardless of previous state, this should now be `plot show` functionality only
1726	self.cmdPlot.setText("Show Plot")
1727	# Force data recalculation so existing charts are updated
1728	self.recalculatePlotData()
1729	self.showPlot()
1730
1731	def onSmearingOptionsUpdate(self):
1732	"""
1733	React to changes in the smearing widget
1734	"""
1735	self.calculateQGridForModel()
1736
1737	def recalculatePlotData(self):
1738	"""
1739	Generate a new dataset for model
1740	"""
1741	if not self.data_is_loaded:
1742	self.createDefaultDataset()
1743	self.calculateQGridForModel()
1744
1745	def showPlot(self):
1746	"""
1747	Show the current plot in MPL
1748	"""
1749	# Show the chart if ready
1750	data_to_show = self.data if self.data_is_loaded else self.model_data
1751	if data_to_show is not None:
1752	self.communicate.plotRequestedSignal.emit([data_to_show])
1753
1754	def onOptionsUpdate(self):
1755	"""
1756	Update local option values and replot
1757	"""
1758	self.q_range_min, self.q_range_max, self.npts, self.log_points, self.weighting = \
1759	self.options_widget.state()
1760	# set Q range labels on the main tab
1761	self.lblMinRangeDef.setText(str(self.q_range_min))
1762	self.lblMaxRangeDef.setText(str(self.q_range_max))
1763	self.recalculatePlotData()
1764
1765	def setDefaultStructureCombo(self):
1766	"""
1767	Fill in the structure factors combo box with defaults
1768	"""
1769	structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE)
1770	factors = [factor[0] for factor in structure_factor_list]
1771	factors.insert(0, STRUCTURE_DEFAULT)
1772	self.cbStructureFactor.clear()
1773	self.cbStructureFactor.addItems(sorted(factors))
1774
1775	def createDefaultDataset(self):
1776	"""
1777	Generate default Dataset 1D/2D for the given model
1778	"""
1779	# Create default datasets if no data passed
1780	if self.is2D:
1781	qmax = self.q_range_max/np.sqrt(2)
1782	qstep = self.npts
1783	self.logic.createDefault2dData(qmax, qstep, self.tab_id)
1784	return
1785	elif self.log_points:
1786	qmin = -10.0 if self.q_range_min < 1.e-10 else np.log10(self.q_range_min)
1787	qmax = 10.0 if self.q_range_max > 1.e10 else np.log10(self.q_range_max)
1788	interval = np.logspace(start=qmin, stop=qmax, num=self.npts, endpoint=True, base=10.0)
1789	else:
1790	interval = np.linspace(start=self.q_range_min, stop=self.q_range_max,
1791	num=self.npts, endpoint=True)
1792	self.logic.createDefault1dData(interval, self.tab_id)
1793
1794	def readCategoryInfo(self):
1795	"""
1796	Reads the categories in from file
1797	"""
1798	self.master_category_dict = defaultdict(list)
1799	self.by_model_dict = defaultdict(list)
1800	self.model_enabled_dict = defaultdict(bool)
1801
1802	categorization_file = CategoryInstaller.get_user_file()
1803	if not os.path.isfile(categorization_file):
1804	categorization_file = CategoryInstaller.get_default_file()
1805	with open(categorization_file, 'rb') as cat_file:
1806	self.master_category_dict = json.load(cat_file)
1807	self.regenerateModelDict()
1808
1809	# Load the model dict
1810	models = load_standard_models()
1811	for model in models:
1812	self.models[model.name] = model
1813
1814	self.readCustomCategoryInfo()
1815
1816	def readCustomCategoryInfo(self):
1817	"""
1818	Reads the custom model category
1819	"""
1820	#Looking for plugins
1821	self.plugins = list(self.custom_models.values())
1822	plugin_list = []
1823	for name, plug in self.custom_models.items():
1824	self.models[name] = plug
1825	plugin_list.append([name, True])
1826	self.master_category_dict[CATEGORY_CUSTOM] = plugin_list
1827
1828	def regenerateModelDict(self):
1829	"""
1830	Regenerates self.by_model_dict which has each model name as the
1831	key and the list of categories belonging to that model
1832	along with the enabled mapping
1833	"""
1834	self.by_model_dict = defaultdict(list)
1835	for category in self.master_category_dict:
1836	for (model, enabled) in self.master_category_dict[category]:
1837	self.by_model_dict[model].append(category)
1838	self.model_enabled_dict[model] = enabled
1839
1840	def addBackgroundToModel(self, model):
1841	"""
1842	Adds background parameter with default values to the model
1843	"""
1844	assert isinstance(model, QtGui.QStandardItemModel)
1845	checked_list = ['background', '0.001', '-inf', 'inf', '1/cm']
1846	FittingUtilities.addCheckedListToModel(model, checked_list)
1847	last_row = model.rowCount()-1
1848	model.item(last_row, 0).setEditable(False)
1849	model.item(last_row, 4).setEditable(False)
1850
1851	def addScaleToModel(self, model):
1852	"""
1853	Adds scale parameter with default values to the model
1854	"""
1855	assert isinstance(model, QtGui.QStandardItemModel)
1856	checked_list = ['scale', '1.0', '0.0', 'inf', '']
1857	FittingUtilities.addCheckedListToModel(model, checked_list)
1858	last_row = model.rowCount()-1
1859	model.item(last_row, 0).setEditable(False)
1860	model.item(last_row, 4).setEditable(False)
1861
1862	def addWeightingToData(self, data):
1863	"""
1864	Adds weighting contribution to fitting data
1865	"""
1866	# Send original data for weighting
1867	weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting)
1868	if self.is2D:
1869	data.err_data = weight
1870	else:
1871	data.dy = weight
1872	pass
1873
1874	def updateQRange(self):
1875	"""
1876	Updates Q Range display
1877	"""
1878	if self.data_is_loaded:
1879	self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange()
1880	# set Q range labels on the main tab
1881	self.lblMinRangeDef.setText(str(self.q_range_min))
1882	self.lblMaxRangeDef.setText(str(self.q_range_max))
1883	# set Q range labels on the options tab
1884	self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts)
1885
1886	def SASModelToQModel(self, model_name, structure_factor=None):
1887	"""
1888	Setting model parameters into table based on selected category
1889	"""
1890	# Crete/overwrite model items
1891	self._model_model.clear()
1892
1893	# First, add parameters from the main model
1894	if model_name is not None:
1895	self.fromModelToQModel(model_name)
1896
1897	# Then, add structure factor derived parameters
1898	if structure_factor is not None and structure_factor != "None":
1899	if model_name is None:
1900	# Instantiate the current sasmodel for SF-only models
1901	self.kernel_module = self.models[structure_factor]()
1902	self.fromStructureFactorToQModel(structure_factor)
1903	else:
1904	# Allow the SF combobox visibility for the given sasmodel
1905	self.enableStructureFactorControl(structure_factor)
1906
1907	# Then, add multishells
1908	if model_name is not None:
1909	# Multishell models need additional treatment
1910	self.addExtraShells()
1911
1912	# Add polydispersity to the model
1913	self.setPolyModel()
1914	# Add magnetic parameters to the model
1915	self.setMagneticModel()
1916
1917	# Adjust the table cells width
1918	self.lstParams.resizeColumnToContents(0)
1919	self.lstParams.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
1920
1921	# Now we claim the model has been loaded
1922	self.model_is_loaded = True
1923	# Change the model name to a monicker
1924	self.kernel_module.name = self.modelName()
1925	# Update the smearing tab
1926	self.smearing_widget.updateKernelModel(kernel_model=self.kernel_module)
1927
1928	# (Re)-create headers
1929	FittingUtilities.addHeadersToModel(self._model_model)
1930	self.lstParams.header().setFont(self.boldFont)
1931
1932	# Update Q Ranges
1933	self.updateQRange()
1934
1935	def fromModelToQModel(self, model_name):
1936	"""
1937	Setting model parameters into QStandardItemModel based on selected _model_
1938	"""
1939	name = model_name
1940	if self.cbCategory.currentText() == CATEGORY_CUSTOM:
1941	# custom kernel load requires full path
1942	name = os.path.join(ModelUtilities.find_plugins_dir(), model_name+".py")
1943	try:
1944	kernel_module = generate.load_kernel_module(name)
1945	except ModuleNotFoundError:
1946	# maybe it's a recategorised custom model?
1947	name = os.path.join(ModelUtilities.find_plugins_dir(), model_name+".py")
1948	# If this rises, it's a valid problem.
1949	kernel_module = generate.load_kernel_module(name)
1950
1951	if hasattr(kernel_module, 'parameters'):
1952	# built-in and custom models
1953	self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', []))
1954
1955	elif hasattr(kernel_module, 'model_info'):
1956	# for sum/multiply models
1957	self.model_parameters = kernel_module.model_info.parameters
1958
1959	elif hasattr(kernel_module, 'Model') and hasattr(kernel_module.Model, "_model_info"):
1960	# this probably won't work if there's no model_info, but just in case
1961	self.model_parameters = kernel_module.Model._model_info.parameters
1962	else:
1963	# no parameters - default to blank table
1964	msg = "No parameters found in model '{}'.".format(model_name)
1965	logger.warning(msg)
1966	self.model_parameters = modelinfo.ParameterTable([])
1967
1968	# Instantiate the current sasmodel
1969	self.kernel_module = self.models[model_name]()
1970
1971	# Explicitly add scale and background with default values
1972	temp_undo_state = self.undo_supported
1973	self.undo_supported = False
1974	self.addScaleToModel(self._model_model)
1975	self.addBackgroundToModel(self._model_model)
1976	self.undo_supported = temp_undo_state
1977
1978	self.shell_names = self.shellNamesList()
1979
1980	# Update the QModel
1981	new_rows = FittingUtilities.addParametersToModel(self.model_parameters, self.kernel_module, self.is2D)
1982
1983	for row in new_rows:
1984	self._model_model.appendRow(row)
1985	# Update the counter used for multishell display
1986	self._last_model_row = self._model_model.rowCount()
1987
1988	def fromStructureFactorToQModel(self, structure_factor):
1989	"""
1990	Setting model parameters into QStandardItemModel based on selected _structure factor_
1991	"""
1992	structure_module = generate.load_kernel_module(structure_factor)
1993	structure_parameters = modelinfo.make_parameter_table(getattr(structure_module, 'parameters', []))
1994
1995	structure_kernel = self.models[structure_factor]()
1996	form_kernel = self.kernel_module
1997
1998	self.kernel_module = MultiplicationModel(form_kernel, structure_kernel)
1999
2000	new_rows = FittingUtilities.addSimpleParametersToModel(structure_parameters, self.is2D)
2001	for row in new_rows:
2002	self._model_model.appendRow(row)
2003	# disable fitting of parameters not listed in self.kernel_module (probably radius_effective)
2004	if row[0].text() not in self.kernel_module.params.keys():
2005	row_num = self._model_model.rowCount() - 1
2006	FittingUtilities.markParameterDisabled(self._model_model, row_num)
2007
2008	# Update the counter used for multishell display
2009	self._last_model_row = self._model_model.rowCount()
2010
2011	def onMainParamsChange(self, item):
2012	"""
2013	Callback method for updating the sasmodel parameters with the GUI values
2014	"""
2015	model_column = item.column()
2016
2017	if model_column == 0:
2018	self.checkboxSelected(item)
2019	self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded)
2020	# Update state stack
2021	self.updateUndo()
2022	return
2023
2024	model_row = item.row()
2025	name_index = self._model_model.index(model_row, 0)
2026
2027	# Extract changed value.
2028	try:
2029	value = GuiUtils.toDouble(item.text())
2030	except TypeError:
2031	# Unparsable field
2032	return
2033
2034	parameter_name = str(self._model_model.data(name_index)) # sld, background etc.
2035
2036	# Update the parameter value - note: this supports +/-inf as well
2037	self.kernel_module.params[parameter_name] = value
2038
2039	# Update the parameter value - note: this supports +/-inf as well
2040	param_column = self.lstParams.itemDelegate().param_value
2041	min_column = self.lstParams.itemDelegate().param_min
2042	max_column = self.lstParams.itemDelegate().param_max
2043	if model_column == param_column:
2044	self.kernel_module.setParam(parameter_name, value)
2045	elif model_column == min_column:
2046	# min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf]
2047	self.kernel_module.details[parameter_name][1] = value
2048	elif model_column == max_column:
2049	self.kernel_module.details[parameter_name][2] = value
2050	else:
2051	# don't update the chart
2052	return
2053
2054	# TODO: magnetic params in self.kernel_module.details['M0:parameter_name'] = value
2055	# TODO: multishell params in self.kernel_module.details[??] = value
2056
2057	# Force the chart update when actual parameters changed
2058	if model_column == 1:
2059	self.recalculatePlotData()
2060
2061	# Update state stack
2062	self.updateUndo()
2063
2064	def isCheckable(self, row):
2065	return self._model_model.item(row, 0).isCheckable()
2066
2067	def checkboxSelected(self, item):
2068	# Assure we're dealing with checkboxes
2069	if not item.isCheckable():
2070	return
2071	status = item.checkState()
2072
2073	# If multiple rows selected - toggle all of them, filtering uncheckable
2074	# Switch off signaling from the model to avoid recursion
2075	self._model_model.blockSignals(True)
2076	# Convert to proper indices and set requested enablement
2077	self.setParameterSelection(status)
2078	#[self._model_model.item(row, 0).setCheckState(status) for row in self.selectedParameters()]
2079	self._model_model.blockSignals(False)
2080
2081	# update the list of parameters to fit
2082	main_params = self.checkedListFromModel(self._model_model)
2083	poly_params = self.checkedListFromModel(self._poly_model)
2084	magnet_params = self.checkedListFromModel(self._magnet_model)
2085
2086	# Retrieve poly params names
2087	poly_params = [param.rsplit()[-1] + '.width' for param in poly_params]
2088
2089	self.parameters_to_fit = main_params + poly_params + magnet_params
2090
2091	def checkedListFromModel(self, model):
2092	"""
2093	Returns list of checked parameters for given model
2094	"""
2095	def isChecked(row):
2096	return model.item(row, 0).checkState() == QtCore.Qt.Checked
2097
2098	return [str(model.item(row_index, 0).text())
2099	for row_index in range(model.rowCount())
2100	if isChecked(row_index)]
2101
2102	def createNewIndex(self, fitted_data):
2103	"""
2104	Create a model or theory index with passed Data1D/Data2D
2105	"""
2106	if self.data_is_loaded:
2107	if not fitted_data.name:
2108	name = self.nameForFittedData(self.data.filename)
2109	fitted_data.title = name
2110	fitted_data.name = name
2111	fitted_data.filename = name
2112	fitted_data.symbol = "Line"
2113	self.updateModelIndex(fitted_data)
2114	else:
2115	if not fitted_data.name:
2116	name = self.nameForFittedData(self.kernel_module.id)
2117	else:
2118	name = fitted_data.name
2119	fitted_data.title = name
2120	fitted_data.filename = name
2121	fitted_data.symbol = "Line"
2122	self.createTheoryIndex(fitted_data)
2123
2124	def updateModelIndex(self, fitted_data):
2125	"""
2126	Update a QStandardModelIndex containing model data
2127	"""
2128	name = self.nameFromData(fitted_data)
2129	# Make this a line if no other defined
2130	if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None:
2131	fitted_data.symbol = 'Line'
2132	# Notify the GUI manager so it can update the main model in DataExplorer
2133	GuiUtils.updateModelItemWithPlot(self.all_data[self.data_index], fitted_data, name)
2134
2135	def createTheoryIndex(self, fitted_data):
2136	"""
2137	Create a QStandardModelIndex containing model data
2138	"""
2139	name = self.nameFromData(fitted_data)
2140	# Notify the GUI manager so it can create the theory model in DataExplorer
2141	new_item = GuiUtils.createModelItemWithPlot(fitted_data, name=name)
2142	self.communicate.updateTheoryFromPerspectiveSignal.emit(new_item)
2143
2144	def nameFromData(self, fitted_data):
2145	"""
2146	Return name for the dataset. Terribly impure function.
2147	"""
2148	if fitted_data.name is None:
2149	name = self.nameForFittedData(self.logic.data.filename)
2150	fitted_data.title = name
2151	fitted_data.name = name
2152	fitted_data.filename = name
2153	else:
2154	name = fitted_data.name
2155	return name
2156
2157	def methodCalculateForData(self):
2158	'''return the method for data calculation'''
2159	return Calc1D if isinstance(self.data, Data1D) else Calc2D
2160
2161	def methodCompleteForData(self):
2162	'''return the method for result parsin on calc complete '''
2163	return self.completed1D if isinstance(self.data, Data1D) else self.completed2D
2164
2165	def calculateQGridForModelExt(self, data=None, model=None, completefn=None, use_threads=True):
2166	"""
2167	Wrapper for Calc1D/2D calls
2168	"""
2169	if data is None:
2170	data = self.data
2171	if model is None:
2172	model = self.kernel_module
2173	if completefn is None:
2174	completefn = self.methodCompleteForData()
2175	smearer = self.smearing_widget.smearer()
2176	# Awful API to a backend method.
2177	calc_thread = self.methodCalculateForData()(data=data,
2178	model=model,
2179	page_id=0,
2180	qmin=self.q_range_min,
2181	qmax=self.q_range_max,
2182	smearer=smearer,
2183	state=None,
2184	weight=None,
2185	fid=None,
2186	toggle_mode_on=False,
2187	completefn=completefn,
2188	update_chisqr=True,
2189	exception_handler=self.calcException,
2190	source=None)
2191	if use_threads:
2192	if LocalConfig.USING_TWISTED:
2193	# start the thread with twisted
2194	thread = threads.deferToThread(calc_thread.compute)
2195	thread.addCallback(completefn)
2196	thread.addErrback(self.calculateDataFailed)
2197	else:
2198	# Use the old python threads + Queue
2199	calc_thread.queue()
2200	calc_thread.ready(2.5)
2201	else:
2202	results = calc_thread.compute()
2203	completefn(results)
2204
2205	def calculateQGridForModel(self):
2206	"""
2207	Prepare the fitting data object, based on current ModelModel
2208	"""
2209	if self.kernel_module is None:
2210	return
2211	self.calculateQGridForModelExt()
2212
2213	def calculateDataFailed(self, reason):
2214	"""
2215	Thread returned error
2216	"""
2217	print("Calculate Data failed with ", reason)
2218
2219	def completed1D(self, return_data):
2220	self.Calc1DFinishedSignal.emit(return_data)
2221
2222	def completed2D(self, return_data):
2223	self.Calc2DFinishedSignal.emit(return_data)
2224
2225	def complete1D(self, return_data):
2226	"""
2227	Plot the current 1D data
2228	"""
2229	fitted_data = self.logic.new1DPlot(return_data, self.tab_id)
2230	self.calculateResiduals(fitted_data)
2231	self.model_data = fitted_data
2232
2233	# Create plots for intermediate product data
2234	pq_data, sq_data = self.logic.new1DProductPlots(return_data, self.tab_id)
2235	if pq_data is not None:
2236	pq_data.symbol = "Line"
2237	self.createNewIndex(pq_data)
2238	if sq_data is not None:
2239	sq_data.symbol = "Line"
2240	self.createNewIndex(sq_data)
2241
2242	def complete2D(self, return_data):
2243	"""
2244	Plot the current 2D data
2245	"""
2246	fitted_data = self.logic.new2DPlot(return_data)
2247	self.calculateResiduals(fitted_data)
2248	self.model_data = fitted_data
2249
2250	def calculateResiduals(self, fitted_data):
2251	"""
2252	Calculate and print Chi2 and display chart of residuals
2253	"""
2254	# Create a new index for holding data
2255	fitted_data.symbol = "Line"
2256
2257	# Modify fitted_data with weighting
2258	self.addWeightingToData(fitted_data)
2259
2260	self.createNewIndex(fitted_data)
2261	# Calculate difference between return_data and logic.data
2262	self.chi2 = FittingUtilities.calculateChi2(fitted_data, self.logic.data)
2263	# Update the control
2264	chi2_repr = "---" if self.chi2 is None else GuiUtils.formatNumber(self.chi2, high=True)
2265	self.lblChi2Value.setText(chi2_repr)
2266
2267	self.communicate.plotUpdateSignal.emit([fitted_data])
2268
2269	# Plot residuals if actual data
2270	if not self.data_is_loaded:
2271	return
2272
2273	residuals_plot = FittingUtilities.plotResiduals(self.data, fitted_data)
2274	residuals_plot.id = "Residual " + residuals_plot.id
2275	self.createNewIndex(residuals_plot)
2276
2277	def onCategoriesChanged(self):
2278	"""
2279	Reload the category/model comboboxes
2280	"""
2281	# Store the current combo indices
2282	current_cat = self.cbCategory.currentText()
2283	current_model = self.cbModel.currentText()
2284
2285	# reread the category file and repopulate the combo
2286	self.cbCategory.blockSignals(True)
2287	self.cbCategory.clear()
2288	self.readCategoryInfo()
2289	self.initializeCategoryCombo()
2290
2291	# Scroll back to the original index in Categories
2292	new_index = self.cbCategory.findText(current_cat)
2293	if new_index != -1:
2294	self.cbCategory.setCurrentIndex(new_index)
2295	self.cbCategory.blockSignals(False)
2296	# ...and in the Models
2297	self.cbModel.blockSignals(True)
2298	new_index = self.cbModel.findText(current_model)
2299	if new_index != -1:
2300	self.cbModel.setCurrentIndex(new_index)
2301	self.cbModel.blockSignals(False)
2302
2303	return
2304
2305	def calcException(self, etype, value, tb):
2306	"""
2307	Thread threw an exception.
2308	"""
2309	# TODO: remimplement thread cancellation
2310	logging.error("".join(traceback.format_exception(etype, value, tb)))
2311
2312	def setTableProperties(self, table):
2313	"""
2314	Setting table properties
2315	"""
2316	# Table properties
2317	table.verticalHeader().setVisible(False)
2318	table.setAlternatingRowColors(True)
2319	table.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
2320	table.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows)
2321	table.resizeColumnsToContents()
2322
2323	# Header
2324	header = table.horizontalHeader()
2325	header.setSectionResizeMode(QtWidgets.QHeaderView.ResizeToContents)
2326	header.ResizeMode(QtWidgets.QHeaderView.Interactive)
2327
2328	# Qt5: the following 2 lines crash - figure out why!
2329	# Resize column 0 and 7 to content
2330	#header.setSectionResizeMode(0, QtWidgets.QHeaderView.ResizeToContents)
2331	#header.setSectionResizeMode(7, QtWidgets.QHeaderView.ResizeToContents)
2332
2333	def setPolyModel(self):
2334	"""
2335	Set polydispersity values
2336	"""
2337	if not self.model_parameters:
2338	return
2339	self._poly_model.clear()
2340
2341	[self.setPolyModelParameters(i, param) for i, param in \
2342	enumerate(self.model_parameters.form_volume_parameters) if param.polydisperse]
2343	FittingUtilities.addPolyHeadersToModel(self._poly_model)
2344
2345	def setPolyModelParameters(self, i, param):
2346	"""
2347	Standard of multishell poly parameter driver
2348	"""
2349	param_name = param.name
2350	# see it the parameter is multishell
2351	if '[' in param.name:
2352	# Skip empty shells
2353	if self.current_shell_displayed == 0:
2354	return
2355	else:
2356	# Create as many entries as current shells
2357	for ishell in range(1, self.current_shell_displayed+1):
2358	# Remove [n] and add the shell numeral
2359	name = param_name[0:param_name.index('[')] + str(ishell)
2360	self.addNameToPolyModel(i, name)
2361	else:
2362	# Just create a simple param entry
2363	self.addNameToPolyModel(i, param_name)
2364
2365	def addNameToPolyModel(self, i, param_name):
2366	"""
2367	Creates a checked row in the poly model with param_name
2368	"""
2369	# Polydisp. values from the sasmodel
2370	width = self.kernel_module.getParam(param_name + '.width')
2371	npts = self.kernel_module.getParam(param_name + '.npts')
2372	nsigs = self.kernel_module.getParam(param_name + '.nsigmas')
2373	_, min, max = self.kernel_module.details[param_name]
2374
2375	# Construct a row with polydisp. related variable.
2376	# This will get added to the polydisp. model
2377	# Note: last argument needs extra space padding for decent display of the control
2378	checked_list = ["Distribution of " + param_name, str(width),
2379	str(min), str(max),
2380	str(npts), str(nsigs), "gaussian ",'']
2381	FittingUtilities.addCheckedListToModel(self._poly_model, checked_list)
2382
2383	# All possible polydisp. functions as strings in combobox
2384	func = QtWidgets.QComboBox()
2385	func.addItems([str(name_disp) for name_disp in POLYDISPERSITY_MODELS.keys()])
2386	# Set the default index
2387	func.setCurrentIndex(func.findText(DEFAULT_POLYDISP_FUNCTION))
2388	ind = self._poly_model.index(i,self.lstPoly.itemDelegate().poly_function)
2389	self.lstPoly.setIndexWidget(ind, func)
2390	func.currentIndexChanged.connect(lambda: self.onPolyComboIndexChange(str(func.currentText()), i))
2391
2392	def onPolyFilenameChange(self, row_index):
2393	"""
2394	Respond to filename_updated signal from the delegate
2395	"""
2396	# For the given row, invoke the "array" combo handler
2397	array_caption = 'array'
2398
2399	# Get the combo box reference
2400	ind = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
2401	widget = self.lstPoly.indexWidget(ind)
2402
2403	# Update the combo box so it displays "array"
2404	widget.blockSignals(True)
2405	widget.setCurrentIndex(self.lstPoly.itemDelegate().POLYDISPERSE_FUNCTIONS.index(array_caption))
2406	widget.blockSignals(False)
2407
2408	# Invoke the file reader
2409	self.onPolyComboIndexChange(array_caption, row_index)
2410
2411	def onPolyComboIndexChange(self, combo_string, row_index):
2412	"""
2413	Modify polydisp. defaults on function choice
2414	"""
2415	# Get npts/nsigs for current selection
2416	param = self.model_parameters.form_volume_parameters[row_index]
2417	file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function)
2418	combo_box = self.lstPoly.indexWidget(file_index)
2419
2420	def updateFunctionCaption(row):
2421	# Utility function for update of polydispersity function name in the main model
2422	param_name = str(self._model_model.item(row, 0).text())
2423	if param_name != param.name:
2424	return
2425	# Modify the param value
2426	self._model_model.item(row, 0).child(0).child(0,4).setText(combo_string)
2427
2428	if combo_string == 'array':
2429	try:
2430	self.loadPolydispArray(row_index)
2431	# Update main model for display
2432	self.iterateOverModel(updateFunctionCaption)
2433	# disable the row
2434	lo = self.lstPoly.itemDelegate().poly_pd
2435	hi = self.lstPoly.itemDelegate().poly_function
2436	[self._poly_model.item(row_index, i).setEnabled(False) for i in range(lo, hi)]
2437	return
2438	except IOError:
2439	combo_box.setCurrentIndex(self.orig_poly_index)
2440	# Pass for cancel/bad read
2441	pass
2442
2443	# Enable the row in case it was disabled by Array
2444	self._poly_model.blockSignals(True)
2445	max_range = self.lstPoly.itemDelegate().poly_filename
2446	[self._poly_model.item(row_index, i).setEnabled(True) for i in range(7)]
2447	file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
2448	self._poly_model.setData(file_index, "")
2449	self._poly_model.blockSignals(False)
2450
2451	npts_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_npts)
2452	nsigs_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_nsigs)
2453
2454	npts = POLYDISPERSITY_MODELS[str(combo_string)].default['npts']
2455	nsigs = POLYDISPERSITY_MODELS[str(combo_string)].default['nsigmas']
2456
2457	self._poly_model.setData(npts_index, npts)
2458	self._poly_model.setData(nsigs_index, nsigs)
2459
2460	self.iterateOverModel(updateFunctionCaption)
2461	self.orig_poly_index = combo_box.currentIndex()
2462
2463	def loadPolydispArray(self, row_index):
2464	"""
2465	Show the load file dialog and loads requested data into state
2466	"""
2467	datafile = QtWidgets.QFileDialog.getOpenFileName(
2468	self, "Choose a weight file", "", "All files (.)", None,
2469	QtWidgets.QFileDialog.DontUseNativeDialog)[0]
2470
2471	if not datafile:
2472	logging.info("No weight data chosen.")
2473	raise IOError
2474
2475	values = []
2476	weights = []
2477	def appendData(data_tuple):
2478	"""
2479	Fish out floats from a tuple of strings
2480	"""
2481	try:
2482	values.append(float(data_tuple[0]))
2483	weights.append(float(data_tuple[1]))
2484	except (ValueError, IndexError):
2485	# just pass through if line with bad data
2486	return
2487
2488	with open(datafile, 'r') as column_file:
2489	column_data = [line.rstrip().split() for line in column_file.readlines()]
2490	[appendData(line) for line in column_data]
2491
2492	# If everything went well - update the sasmodel values
2493	self.disp_model = POLYDISPERSITY_MODELS['array']()
2494	self.disp_model.set_weights(np.array(values), np.array(weights))
2495	# + update the cell with filename
2496	fname = os.path.basename(str(datafile))
2497	fname_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename)
2498	self._poly_model.setData(fname_index, fname)
2499
2500	def setMagneticModel(self):
2501	"""
2502	Set magnetism values on model
2503	"""
2504	if not self.model_parameters:
2505	return
2506	self._magnet_model.clear()
2507	[self.addCheckedMagneticListToModel(param, self._magnet_model) for param in \
2508	self.model_parameters.call_parameters if param.type == 'magnetic']
2509	FittingUtilities.addHeadersToModel(self._magnet_model)
2510
2511	def shellNamesList(self):
2512	"""
2513	Returns list of names of all multi-shell parameters
2514	E.g. for sld[n], radius[n], n=1..3 it will return
2515	[sld1, sld2, sld3, radius1, radius2, radius3]
2516	"""
2517	multi_names = [p.name[:p.name.index('[')] for p in self.model_parameters.iq_parameters if '[' in p.name]
2518	top_index = self.kernel_module.multiplicity_info.number
2519	shell_names = []
2520	for i in range(1, top_index+1):
2521	for name in multi_names:
2522	shell_names.append(name+str(i))
2523	return shell_names
2524
2525	def addCheckedMagneticListToModel(self, param, model):
2526	"""
2527	Wrapper for model update with a subset of magnetic parameters
2528	"""
2529	if param.name[param.name.index(':')+1:] in self.shell_names:
2530	# check if two-digit shell number
2531	try:
2532	shell_index = int(param.name[-2:])
2533	except ValueError:
2534	shell_index = int(param.name[-1:])
2535
2536	if shell_index > self.current_shell_displayed:
2537	return
2538
2539	checked_list = [param.name,
2540	str(param.default),
2541	str(param.limits[0]),
2542	str(param.limits[1]),
2543	param.units]
2544
2545	FittingUtilities.addCheckedListToModel(model, checked_list)
2546
2547	def enableStructureFactorControl(self, structure_factor):
2548	"""
2549	Add structure factors to the list of parameters
2550	"""
2551	if self.kernel_module.is_form_factor or structure_factor == 'None':
2552	self.enableStructureCombo()
2553	else:
2554	self.disableStructureCombo()
2555
2556	def addExtraShells(self):
2557	"""
2558	Add a combobox for multiple shell display
2559	"""
2560	param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters)
2561
2562	if param_length == 0:
2563	return
2564
2565	# cell 1: variable name
2566	item1 = QtGui.QStandardItem(param_name)
2567
2568	func = QtWidgets.QComboBox()
2569	# Available range of shells displayed in the combobox
2570	func.addItems([str(i) for i in range(param_length+1)])
2571
2572	# Respond to index change
2573	func.currentIndexChanged.connect(self.modifyShellsInList)
2574
2575	# cell 2: combobox
2576	item2 = QtGui.QStandardItem()
2577	self._model_model.appendRow([item1, item2])
2578
2579	# Beautify the row: span columns 2-4
2580	shell_row = self._model_model.rowCount()
2581	shell_index = self._model_model.index(shell_row-1, 1)
2582
2583	self.lstParams.setIndexWidget(shell_index, func)
2584	self._last_model_row = self._model_model.rowCount()
2585
2586	# Set the index to the state-kept value
2587	func.setCurrentIndex(self.current_shell_displayed
2588	if self.current_shell_displayed < func.count() else 0)
2589
2590	def modifyShellsInList(self, index):
2591	"""
2592	Add/remove additional multishell parameters
2593	"""
2594	# Find row location of the combobox
2595	last_row = self._last_model_row
2596	remove_rows = self._model_model.rowCount() - last_row
2597
2598	if remove_rows > 1:
2599	self._model_model.removeRows(last_row, remove_rows)
2600
2601	FittingUtilities.addShellsToModel(self.model_parameters, self._model_model, index)
2602	self.current_shell_displayed = index
2603
2604	# Update relevant models
2605	self.setPolyModel()
2606	self.setMagneticModel()
2607
2608	def setFittingStarted(self):
2609	"""
2610	Set buttion caption on fitting start
2611	"""
2612	# Notify the user that fitting is being run
2613	# Allow for stopping the job
2614	self.cmdFit.setStyleSheet('QPushButton {color: red;}')
2615	self.cmdFit.setText('Stop fit')
2616
2617	def setFittingStopped(self):
2618	"""
2619	Set button caption on fitting stop
2620	"""
2621	# Notify the user that fitting is available
2622	self.cmdFit.setStyleSheet('QPushButton {color: black;}')
2623	self.cmdFit.setText("Fit")
2624	self.fit_started = False
2625
2626	def readFitPage(self, fp):
2627	"""
2628	Read in state from a fitpage object and update GUI
2629	"""
2630	assert isinstance(fp, FitPage)
2631	# Main tab info
2632	self.logic.data.filename = fp.filename
2633	self.data_is_loaded = fp.data_is_loaded
2634	self.chkPolydispersity.setCheckState(fp.is_polydisperse)
2635	self.chkMagnetism.setCheckState(fp.is_magnetic)
2636	self.chk2DView.setCheckState(fp.is2D)
2637
2638	# Update the comboboxes
2639	self.cbCategory.setCurrentIndex(self.cbCategory.findText(fp.current_category))
2640	self.cbModel.setCurrentIndex(self.cbModel.findText(fp.current_model))
2641	if fp.current_factor:
2642	self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(fp.current_factor))
2643
2644	self.chi2 = fp.chi2
2645
2646	# Options tab
2647	self.q_range_min = fp.fit_options[fp.MIN_RANGE]
2648	self.q_range_max = fp.fit_options[fp.MAX_RANGE]
2649	self.npts = fp.fit_options[fp.NPTS]
2650	self.log_points = fp.fit_options[fp.LOG_POINTS]
2651	self.weighting = fp.fit_options[fp.WEIGHTING]
2652
2653	# Models
2654	self._model_model = fp.model_model
2655	self._poly_model = fp.poly_model
2656	self._magnet_model = fp.magnetism_model
2657
2658	# Resolution tab
2659	smearing = fp.smearing_options[fp.SMEARING_OPTION]
2660	accuracy = fp.smearing_options[fp.SMEARING_ACCURACY]
2661	smearing_min = fp.smearing_options[fp.SMEARING_MIN]
2662	smearing_max = fp.smearing_options[fp.SMEARING_MAX]
2663	self.smearing_widget.setState(smearing, accuracy, smearing_min, smearing_max)
2664
2665	# TODO: add polidyspersity and magnetism
2666
2667	def saveToFitPage(self, fp):
2668	"""
2669	Write current state to the given fitpage
2670	"""
2671	assert isinstance(fp, FitPage)
2672
2673	# Main tab info
2674	fp.filename = self.logic.data.filename
2675	fp.data_is_loaded = self.data_is_loaded
2676	fp.is_polydisperse = self.chkPolydispersity.isChecked()
2677	fp.is_magnetic = self.chkMagnetism.isChecked()
2678	fp.is2D = self.chk2DView.isChecked()
2679	fp.data = self.data
2680
2681	# Use current models - they contain all the required parameters
2682	fp.model_model = self._model_model
2683	fp.poly_model = self._poly_model
2684	fp.magnetism_model = self._magnet_model
2685
2686	if self.cbCategory.currentIndex() != 0:
2687	fp.current_category = str(self.cbCategory.currentText())
2688	fp.current_model = str(self.cbModel.currentText())
2689
2690	if self.cbStructureFactor.isEnabled() and self.cbStructureFactor.currentIndex() != 0:
2691	fp.current_factor = str(self.cbStructureFactor.currentText())
2692	else:
2693	fp.current_factor = ''
2694
2695	fp.chi2 = self.chi2
2696	fp.parameters_to_fit = self.parameters_to_fit
2697	fp.kernel_module = self.kernel_module
2698
2699	# Algorithm options
2700	# fp.algorithm = self.parent.fit_options.selected_id
2701
2702	# Options tab
2703	fp.fit_options[fp.MIN_RANGE] = self.q_range_min
2704	fp.fit_options[fp.MAX_RANGE] = self.q_range_max
2705	fp.fit_options[fp.NPTS] = self.npts
2706	#fp.fit_options[fp.NPTS_FIT] = self.npts_fit
2707	fp.fit_options[fp.LOG_POINTS] = self.log_points
2708	fp.fit_options[fp.WEIGHTING] = self.weighting
2709
2710	# Resolution tab
2711	smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state()
2712	fp.smearing_options[fp.SMEARING_OPTION] = smearing
2713	fp.smearing_options[fp.SMEARING_ACCURACY] = accuracy
2714	fp.smearing_options[fp.SMEARING_MIN] = smearing_min
2715	fp.smearing_options[fp.SMEARING_MAX] = smearing_max
2716
2717	# TODO: add polidyspersity and magnetism
2718
2719
2720	def updateUndo(self):
2721	"""
2722	Create a new state page and add it to the stack
2723	"""
2724	if self.undo_supported:
2725	self.pushFitPage(self.currentState())
2726
2727	def currentState(self):
2728	"""
2729	Return fit page with current state
2730	"""
2731	new_page = FitPage()
2732	self.saveToFitPage(new_page)
2733
2734	return new_page
2735
2736	def pushFitPage(self, new_page):
2737	"""
2738	Add a new fit page object with current state
2739	"""
2740	self.page_stack.append(new_page)
2741
2742	def popFitPage(self):
2743	"""
2744	Remove top fit page from stack
2745	"""
2746	if self.page_stack:
2747	self.page_stack.pop()
2748
2749	def getReport(self):
2750	"""
2751	Create and return HTML report with parameters and charts
2752	"""
2753	index = None
2754	if self.all_data:
2755	index = self.all_data[self.data_index]
2756	report_logic = ReportPageLogic(self,
2757	kernel_module=self.kernel_module,
2758	data=self.data,
2759	index=index,
2760	model=self._model_model)
2761
2762	return report_logic.reportList()
2763
2764	def savePageState(self):
2765	"""
2766	Create and serialize local PageState
2767	"""
2768	from sas.sascalc.fit.pagestate import Reader
2769	model = self.kernel_module
2770
2771	# Old style PageState object
2772	state = PageState(model=model, data=self.data)
2773
2774	# Add parameter data to the state
2775	self.getCurrentFitState(state)
2776
2777	# Create the filewriter, aptly named 'Reader'
2778	state_reader = Reader(self.loadPageStateCallback)
2779	filepath = self.saveAsAnalysisFile()
2780	if filepath is None:
2781	return
2782	state_reader.write(filename=filepath, fitstate=state)
2783	pass
2784
2785	def saveAsAnalysisFile(self):
2786	"""
2787	Show the save as... dialog and return the chosen filepath
2788	"""
2789	default_name = "FitPage"+str(self.tab_id)+".fitv"
2790
2791	wildcard = "fitv files (*.fitv)"
2792	kwargs = {
2793	'caption' : 'Save As',
2794	'directory' : default_name,
2795	'filter' : wildcard,
2796	'parent' : None,
2797	}
2798	# Query user for filename.
2799	filename_tuple = QtWidgets.QFileDialog.getSaveFileName(**kwargs)
2800	filename = filename_tuple[0]
2801	return filename
2802
2803	def loadPageStateCallback(self,state=None, datainfo=None, format=None):
2804	"""
2805	This is a callback method called from the CANSAS reader.
2806	We need the instance of this reader only for writing out a file,
2807	so there's nothing here.
2808	Until Load Analysis is implemented, that is.
2809	"""
2810	pass
2811
2812	def loadPageState(self, pagestate=None):
2813	"""
2814	Load the PageState object and update the current widget
2815	"""
2816	pass
2817
2818	def getCurrentFitState(self, state=None):
2819	"""
2820	Store current state for fit_page
2821	"""
2822	# save model option
2823	#if self.model is not None:
2824	# self.disp_list = self.getDispParamList()
2825	# state.disp_list = copy.deepcopy(self.disp_list)
2826	# #state.model = self.model.clone()
2827
2828	# Comboboxes
2829	state.categorycombobox = self.cbCategory.currentText()
2830	state.formfactorcombobox = self.cbModel.currentText()
2831	if self.cbStructureFactor.isEnabled():
2832	state.structureCombobox = self.cbStructureFactor.currentText()
2833	state.tcChi = self.chi2
2834
2835	state.enable2D = self.is2D
2836
2837	#state.weights = copy.deepcopy(self.weights)
2838	# save data
2839	state.data = copy.deepcopy(self.data)
2840
2841	# save plotting range
2842	state.qmin = self.q_range_min
2843	state.qmax = self.q_range_max
2844	state.npts = self.npts
2845
2846	# self.state.enable_disp = self.enable_disp.GetValue()
2847	# self.state.disable_disp = self.disable_disp.GetValue()
2848
2849	# self.state.enable_smearer = \
2850	# copy.deepcopy(self.enable_smearer.GetValue())
2851	# self.state.disable_smearer = \
2852	# copy.deepcopy(self.disable_smearer.GetValue())
2853
2854	#self.state.pinhole_smearer = \
2855	# copy.deepcopy(self.pinhole_smearer.GetValue())
2856	#self.state.slit_smearer = copy.deepcopy(self.slit_smearer.GetValue())
2857	#self.state.dI_noweight = copy.deepcopy(self.dI_noweight.GetValue())
2858	#self.state.dI_didata = copy.deepcopy(self.dI_didata.GetValue())
2859	#self.state.dI_sqrdata = copy.deepcopy(self.dI_sqrdata.GetValue())
2860	#self.state.dI_idata = copy.deepcopy(self.dI_idata.GetValue())
2861
2862	p = self.model_parameters
2863	# save checkbutton state and txtcrtl values
2864	state.parameters = FittingUtilities.getStandardParam()
2865	state.orientation_params_disp = FittingUtilities.getOrientationParam()
2866
2867	#self._copy_parameters_state(self.orientation_params_disp, self.state.orientation_params_disp)
2868	#self._copy_parameters_state(self.parameters, self.state.parameters)
2869	#self._copy_parameters_state(self.fittable_param, self.state.fittable_param)
2870	#self._copy_parameters_state(self.fixed_param, self.state.fixed_param)
2871
2872	def onParameterCopy(self, format=None):
2873	"""
2874	Copy current parameters into the clipboard
2875	"""
2876	# run a loop over all parameters and pull out
2877	# first - regular params
2878	param_list = []
2879	def gatherParams(row):
2880	"""
2881	Create list of main parameters based on _model_model
2882	"""
2883	param_name = str(self._model_model.item(row, 0).text())
2884	param_checked = str(self._model_model.item(row, 0).checkState() == QtCore.Qt.Checked)
2885	param_value = str(self._model_model.item(row, 1).text())
2886	param_error = None
2887	column_offset = 0
2888	if self.has_error_column:
2889	param_error = str(self._model_model.item(row, 2).text())
2890	column_offset = 1
2891	param_min = str(self._model_model.item(row, 2+column_offset).text())
2892	param_max = str(self._model_model.item(row, 3+column_offset).text())
2893	param_list.append([param_name, param_checked, param_value, param_error, param_min, param_max])
2894
2895	def gatherPolyParams(row):
2896	"""
2897	Create list of polydisperse parameters based on _poly_model
2898	"""
2899	param_name = str(self._poly_model.item(row, 0).text()).split()[-1]
2900	param_checked = str(self._poly_model.item(row, 0).checkState() == QtCore.Qt.Checked)
2901	param_value = str(self._poly_model.item(row, 1).text())
2902	param_error = None
2903	column_offset = 0
2904	if self.has_poly_error_column:
2905	param_error = str(self._poly_model.item(row, 2).text())
2906	column_offset = 1
2907	param_min = str(self._poly_model.item(row, 2+column_offset).text())
2908	param_max = str(self._poly_model.item(row, 3+column_offset).text())
2909	param_npts = str(self._poly_model.item(row, 4+column_offset).text())
2910	param_nsigs = str(self._poly_model.item(row, 5+column_offset).text())
2911	param_fun = str(self._poly_model.item(row, 6+column_offset).text()).rstrip()
2912	# width
2913	name = param_name+".width"
2914	param_list.append([name, param_checked, param_value, param_error,
2915	param_npts, param_nsigs, param_min, param_max, param_fun])
2916
2917	def gatherMagnetParams(row):
2918	"""
2919	Create list of magnetic parameters based on _magnet_model
2920	"""
2921	param_name = str(self._magnet_model.item(row, 0).text())
2922	param_checked = str(self._magnet_model.item(row, 0).checkState() == QtCore.Qt.Checked)
2923	param_value = str(self._magnet_model.item(row, 1).text())
2924	param_error = None
2925	column_offset = 0
2926	if self.has_magnet_error_column:
2927	param_error = str(self._magnet_model.item(row, 2).text())
2928	column_offset = 1
2929	param_min = str(self._magnet_model.item(row, 2+column_offset).text())
2930	param_max = str(self._magnet_model.item(row, 3+column_offset).text())
2931	param_list.append([param_name, param_checked, param_value, param_error, param_min, param_max])
2932
2933	self.iterateOverModel(gatherParams)
2934	if self.chkPolydispersity.isChecked():
2935	self.iterateOverPolyModel(gatherPolyParams)
2936	if self.chkMagnetism.isChecked() and self.chkMagnetism.isEnabled():
2937	self.iterateOverMagnetModel(gatherMagnetParams)
2938
2939	if format=="":
2940	formatted_output = FittingUtilities.formatParameters(param_list)
2941	elif format == "Excel":
2942	formatted_output = FittingUtilities.formatParametersExcel(param_list)
2943	elif format == "Latex":
2944	formatted_output = FittingUtilities.formatParametersLatex(param_list)
2945	else:
2946	raise AttributeError("Bad format specifier.")
2947
2948	# Dump formatted_output to the clipboard
2949	cb = QtWidgets.QApplication.clipboard()
2950	cb.setText(formatted_output)
2951
2952	def onParameterPaste(self):
2953	"""
2954	Use the clipboard to update fit state
2955	"""
2956	# Check if the clipboard contains right stuff
2957	cb = QtWidgets.QApplication.clipboard()
2958	cb_text = cb.text()
2959
2960	context = {}
2961	# put the text into dictionary
2962	lines = cb_text.split(':')
2963	if lines[0] != 'sasview_parameter_values':
2964	return False
2965	for line in lines[1:-1]:
2966	if len(line) != 0:
2967	item = line.split(',')
2968	check = item[1]
2969	name = item[0]
2970	value = item[2]
2971	# Transfer the text to content[dictionary]
2972	context[name] = [check, value]
2973
2974	# limits
2975	limit_lo = item[3]
2976	context[name].append(limit_lo)
2977	limit_hi = item[4]
2978	context[name].append(limit_hi)
2979
2980	# Polydisp
2981	if len(item) > 5:
2982	value = item[5]
2983	context[name].append(value)
2984	try:
2985	value = item[6]
2986	context[name].append(value)
2987	value = item[7]
2988	context[name].append(value)
2989	except IndexError:
2990	pass
2991
2992	self.updateFullModel(context)
2993	self.updateFullPolyModel(context)
2994
2995	def updateFullModel(self, param_dict):
2996	"""
2997	Update the model with new parameters
2998	"""
2999	assert isinstance(param_dict, dict)
3000	if not dict:
3001	return
3002
3003	def updateFittedValues(row):
3004	# Utility function for main model update
3005	# internal so can use closure for param_dict
3006	param_name = str(self._model_model.item(row, 0).text())
3007	if param_name not in list(param_dict.keys()):
3008	return
3009	# checkbox state
3010	param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked
3011	self._model_model.item(row, 0).setCheckState(param_checked)
3012
3013	# modify the param value
3014	param_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
3015	self._model_model.item(row, 1).setText(param_repr)
3016
3017	# Potentially the error column
3018	ioffset = 0
3019	if len(param_dict[param_name])>4 and self.has_error_column:
3020	# error values are not editable - no need to update
3021	#error_repr = GuiUtils.formatNumber(param_dict[param_name][2], high=True)
3022	#self._model_model.item(row, 2).setText(error_repr)
3023	ioffset = 1
3024	# min/max
3025	param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True)
3026	self._model_model.item(row, 2+ioffset).setText(param_repr)
3027	param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True)
3028	self._model_model.item(row, 3+ioffset).setText(param_repr)
3029
3030	# block signals temporarily, so we don't end up
3031	# updating charts with every single model change on the end of fitting
3032	self._model_model.blockSignals(True)
3033	self.iterateOverModel(updateFittedValues)
3034	self._model_model.blockSignals(False)
3035
3036	def updateFullPolyModel(self, param_dict):
3037	"""
3038	Update the polydispersity model with new parameters, create the errors column
3039	"""
3040	assert isinstance(param_dict, dict)
3041	if not dict:
3042	return
3043
3044	def updateFittedValues(row):
3045	# Utility function for main model update
3046	# internal so can use closure for param_dict
3047	if row >= self._poly_model.rowCount():
3048	return
3049	param_name = str(self._poly_model.item(row, 0).text()).rsplit()[-1] + '.width'
3050	if param_name not in list(param_dict.keys()):
3051	return
3052	# checkbox state
3053	param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked
3054	self._poly_model.item(row,0).setCheckState(param_checked)
3055
3056	# modify the param value
3057	param_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True)
3058	self._poly_model.item(row, 1).setText(param_repr)
3059
3060	# Potentially the error column
3061	ioffset = 0
3062	if len(param_dict[param_name])>4 and self.has_poly_error_column:
3063	ioffset = 1
3064	# min
3065	param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True)
3066	self._poly_model.item(row, 2+ioffset).setText(param_repr)
3067	# max
3068	param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True)
3069	self._poly_model.item(row, 3+ioffset).setText(param_repr)
3070	# Npts
3071	param_repr = GuiUtils.formatNumber(param_dict[param_name][4+ioffset], high=True)
3072	self._poly_model.item(row, 4+ioffset).setText(param_repr)
3073	# Nsigs
3074	param_repr = GuiUtils.formatNumber(param_dict[param_name][5+ioffset], high=True)
3075	self._poly_model.item(row, 5+ioffset).setText(param_repr)
3076
3077	param_repr = GuiUtils.formatNumber(param_dict[param_name][5+ioffset], high=True)
3078	self._poly_model.item(row, 5+ioffset).setText(param_repr)
3079
3080	# block signals temporarily, so we don't end up
3081	# updating charts with every single model change on the end of fitting
3082	self._poly_model.blockSignals(True)
3083	self.iterateOverPolyModel(updateFittedValues)
3084	self._poly_model.blockSignals(False)
3085
3086

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SasView

source: sasview/src/sas/qtgui/Perspectives/Fitting/FittingWidget.py @ b4d05bd

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