InversionPerspective.py @ 5a5e371

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalc

Last change on this file since 5a5e371 was 5a5e371, checked in by krzywon, 6 years ago
Document batch p(r) and link to the anchor from the results window. Remove unicode characters from batch results table for saving purposes.
Property mode set to `100644`
File size: 27.7 KB

Rev	Line
[fa81e94]	1	import logging
	2	import numpy as np
	3
	4	from PyQt5 import QtGui, QtCore, QtWidgets
	5
	6	# sas-global
	7	import sas.qtgui.Utilities.GuiUtils as GuiUtils
	8
	9	# pr inversion GUI elements
	10	from .InversionUtils import WIDGETS
	11	from .UI.TabbedInversionUI import Ui_PrInversion
	12	from .InversionLogic import InversionLogic
	13
	14	# pr inversion calculation elements
	15	from sas.sascalc.pr.invertor import Invertor
[effdd98]	16	# Batch calculation display
	17	from sas.qtgui.Utilities.GridPanel import BatchInversionOutputPanel
	18
[b9e89d5]	19
[fa81e94]	20	def is_float(value):
	21	"""Converts text input values to floats. Empty strings throw ValueError"""
	22	try:
	23	return float(value)
	24	except ValueError:
	25	return 0.0
	26
[b9e89d5]	27
[50bfab0]	28	NUMBER_OF_TERMS = 10
	29	REGULARIZATION = 0.0001
	30	BACKGROUND_INPUT = 0.0
	31	MAX_DIST = 140.0
[edd6720]	32	DICT_KEYS = ["Calculator", "PrPlot", "DataPlot"]
[47bf906]	33
[fa81e94]	34
[d4881f6a]	35	class InversionWindow(QtWidgets.QDialog, Ui_PrInversion):
[fa81e94]	36	"""
	37	The main window for the P(r) Inversion perspective.
	38	"""
	39
	40	name = "Inversion"
[f1ec901]	41	estimateSignal = QtCore.pyqtSignal(tuple)
	42	estimateNTSignal = QtCore.pyqtSignal(tuple)
	43	calculateSignal = QtCore.pyqtSignal(tuple)
[fa81e94]	44
	45	def __init__(self, parent=None, data=None):
	46	super(InversionWindow, self).__init__()
	47	self.setupUi(self)
	48
	49	self.setWindowTitle("P(r) Inversion Perspective")
	50
	51	self._manager = parent
[b9e89d5]	52	self.communicate = parent.communicator()
	53	self.communicate.dataDeletedSignal.connect(self.removeData)
[fa81e94]	54
	55	self.logic = InversionLogic()
	56
	57	# The window should not close
[ae34d30]	58	self._allowClose = False
[fa81e94]	59
[ae34d30]	60	# Visible data items
[fa81e94]	61	# current QStandardItem showing on the panel
	62	self._data = None
[47bf906]	63	# Reference to Dmax window for self._data
	64	self.dmaxWindow = None
	65	# p(r) calculator for self._data
[fa81e94]	66	self._calculator = Invertor()
[304e42f]	67	# Default to background estimate
[bb6b037]	68	self._calculator.est_bck = True
[47bf906]	69	# plots of self._data
[ae34d30]	70	self.prPlot = None
	71	self.dataPlot = None
[e51e078]	72	# suggested nTerms
	73	self.nTermsSuggested = NUMBER_OF_TERMS
[47bf906]	74
	75	# Calculation threads used by all data items
[ae34d30]	76	self.calcThread = None
	77	self.estimationThread = None
	78	self.estimationThreadNT = None
[fa81e94]	79
[47bf906]	80	# Mapping for all data items
[ae34d30]	81	# Dictionary mapping data to all parameters
	82	self._dataList = {}
[fa81e94]	83	if not isinstance(data, list):
	84	data_list = [data]
	85	if data is not None:
	86	for datum in data_list:
[e51e078]	87	self.updateDataList(datum)
[f1ec901]	88
[e51e078]	89	self.enableButtons()
[8f83719f]	90
[fa81e94]	91	self.model = QtGui.QStandardItemModel(self)
	92	self.mapper = QtWidgets.QDataWidgetMapper(self)
[8f83719f]	93
[ae34d30]	94	# Batch fitting parameters
	95	self.isBatch = False
	96	self.batchResultsWindow = None
[98485fe]	97	self.batchResults = {}
	98	self.batchComplete = []
[effdd98]	99
[8f83719f]	100	# Add validators
	101	self.setupValidators()
[fa81e94]	102	# Link user interactions with methods
	103	self.setupLinks()
	104	# Set values
	105	self.setupModel()
	106	# Set up the Widget Map
	107	self.setupMapper()
	108	# Set base window state
	109	self.setupWindow()
	110
	111	######################################################################
	112	# Base Perspective Class Definitions
	113
	114	def communicator(self):
	115	return self.communicate
	116
	117	def allowBatch(self):
	118	return True
	119
	120	def setClosable(self, value=True):
	121	"""
	122	Allow outsiders close this widget
	123	"""
	124	assert isinstance(value, bool)
[ae34d30]	125	self._allowClose = value
[fa81e94]	126
	127	def closeEvent(self, event):
	128	"""
	129	Overwrite QDialog close method to allow for custom widget close
	130	"""
[ae34d30]	131	# Close report widgets before closing/minimizing main widget
	132	self.closeDMax()
	133	self.closeBatchResults()
	134	if self._allowClose:
[fa81e94]	135	# reset the closability flag
	136	self.setClosable(value=False)
[d4881f6a]	137	# Tell the MdiArea to close the container
	138	self.parentWidget().close()
[fa81e94]	139	event.accept()
	140	else:
	141	event.ignore()
	142	# Maybe we should just minimize
	143	self.setWindowState(QtCore.Qt.WindowMinimized)
	144
[ae34d30]	145	def closeDMax(self):
	146	if self.dmaxWindow is not None:
	147	self.dmaxWindow.close()
	148
	149	def closeBatchResults(self):
	150	if self.batchResultsWindow is not None:
	151	self.batchResultsWindow.close()
	152
[fa81e94]	153	######################################################################
	154	# Initialization routines
	155
	156	def setupLinks(self):
	157	"""Connect the use controls to their appropriate methods"""
	158	self.dataList.currentIndexChanged.connect(self.displayChange)
[f1ec901]	159	self.calculateAllButton.clicked.connect(self.startThreadAll)
	160	self.calculateThisButton.clicked.connect(self.startThread)
[fa81e94]	161	self.removeButton.clicked.connect(self.removeData)
	162	self.helpButton.clicked.connect(self.help)
	163	self.estimateBgd.toggled.connect(self.toggleBgd)
	164	self.manualBgd.toggled.connect(self.toggleBgd)
	165	self.regConstantSuggestionButton.clicked.connect(self.acceptAlpha)
	166	self.noOfTermsSuggestionButton.clicked.connect(self.acceptNoTerms)
	167	self.explorerButton.clicked.connect(self.openExplorerWindow)
[f1ec901]	168
	169	self.backgroundInput.editingFinished.connect(
[bb6b037]	170	lambda: self.set_background(self.backgroundInput.text()))
[f1ec901]	171	self.minQInput.editingFinished.connect(
[8f83719f]	172	lambda: self._calculator.set_qmin(is_float(self.minQInput.text())))
[f1ec901]	173	self.regularizationConstantInput.editingFinished.connect(
[8f83719f]	174	lambda: self._calculator.set_alpha(is_float(self.regularizationConstantInput.text())))
[f1ec901]	175	self.maxDistanceInput.editingFinished.connect(
[8f83719f]	176	lambda: self._calculator.set_dmax(is_float(self.maxDistanceInput.text())))
[f1ec901]	177	self.maxQInput.editingFinished.connect(
[8f83719f]	178	lambda: self._calculator.set_qmax(is_float(self.maxQInput.text())))
[f1ec901]	179	self.slitHeightInput.editingFinished.connect(
[8f83719f]	180	lambda: self._calculator.set_slit_height(is_float(self.slitHeightInput.text())))
[f1ec901]	181	self.slitWidthInput.editingFinished.connect(
[8f83719f]	182	lambda: self._calculator.set_slit_width(is_float(self.slitHeightInput.text())))
[f1ec901]	183
[fa81e94]	184	self.model.itemChanged.connect(self.model_changed)
[f1ec901]	185	self.estimateNTSignal.connect(self._estimateNTUpdate)
	186	self.estimateSignal.connect(self._estimateUpdate)
	187	self.calculateSignal.connect(self._calculateUpdate)
[fa81e94]	188
	189	def setupMapper(self):
	190	# Set up the mapper.
	191	self.mapper.setOrientation(QtCore.Qt.Vertical)
	192	self.mapper.setModel(self.model)
	193
	194	# Filename
	195	self.mapper.addMapping(self.dataList, WIDGETS.W_FILENAME)
	196	# Background
	197	self.mapper.addMapping(self.backgroundInput, WIDGETS.W_BACKGROUND_INPUT)
	198	self.mapper.addMapping(self.estimateBgd, WIDGETS.W_ESTIMATE)
	199	self.mapper.addMapping(self.manualBgd, WIDGETS.W_MANUAL_INPUT)
	200
	201	# Qmin/Qmax
	202	self.mapper.addMapping(self.minQInput, WIDGETS.W_QMIN)
	203	self.mapper.addMapping(self.maxQInput, WIDGETS.W_QMAX)
	204
	205	# Slit Parameter items
	206	self.mapper.addMapping(self.slitWidthInput, WIDGETS.W_SLIT_WIDTH)
	207	self.mapper.addMapping(self.slitHeightInput, WIDGETS.W_SLIT_HEIGHT)
	208
	209	# Parameter Items
[8f83719f]	210	self.mapper.addMapping(self.regularizationConstantInput, WIDGETS.W_REGULARIZATION)
	211	self.mapper.addMapping(self.regConstantSuggestionButton, WIDGETS.W_REGULARIZATION_SUGGEST)
[fa81e94]	212	self.mapper.addMapping(self.explorerButton, WIDGETS.W_EXPLORE)
	213	self.mapper.addMapping(self.maxDistanceInput, WIDGETS.W_MAX_DIST)
	214	self.mapper.addMapping(self.noOfTermsInput, WIDGETS.W_NO_TERMS)
[8f83719f]	215	self.mapper.addMapping(self.noOfTermsSuggestionButton, WIDGETS.W_NO_TERMS_SUGGEST)
[fa81e94]	216
	217	# Output
	218	self.mapper.addMapping(self.rgValue, WIDGETS.W_RG)
	219	self.mapper.addMapping(self.iQ0Value, WIDGETS.W_I_ZERO)
	220	self.mapper.addMapping(self.backgroundValue, WIDGETS.W_BACKGROUND_OUTPUT)
	221	self.mapper.addMapping(self.computationTimeValue, WIDGETS.W_COMP_TIME)
	222	self.mapper.addMapping(self.chiDofValue, WIDGETS.W_CHI_SQUARED)
	223	self.mapper.addMapping(self.oscillationValue, WIDGETS.W_OSCILLATION)
	224	self.mapper.addMapping(self.posFractionValue, WIDGETS.W_POS_FRACTION)
[8f83719f]	225	self.mapper.addMapping(self.sigmaPosFractionValue, WIDGETS.W_SIGMA_POS_FRACTION)
[fa81e94]	226
	227	# Main Buttons
	228	self.mapper.addMapping(self.removeButton, WIDGETS.W_REMOVE)
[f1ec901]	229	self.mapper.addMapping(self.calculateAllButton, WIDGETS.W_CALCULATE_ALL)
[8f83719f]	230	self.mapper.addMapping(self.calculateThisButton, WIDGETS.W_CALCULATE_VISIBLE)
[fa81e94]	231	self.mapper.addMapping(self.helpButton, WIDGETS.W_HELP)
	232
	233	self.mapper.toFirst()
	234
	235	def setupModel(self):
	236	"""
	237	Update boxes with initial values
	238	"""
[ae34d30]	239	blank_item = QtGui.QStandardItem("")
	240	no_terms_item = QtGui.QStandardItem(str(NUMBER_OF_TERMS))
	241	bgd_item = QtGui.QStandardItem(str(BACKGROUND_INPUT))
	242	reg_item = QtGui.QStandardItem(str(REGULARIZATION))
	243	max_dist_item = QtGui.QStandardItem(str(MAX_DIST))
	244	self.model.setItem(WIDGETS.W_BACKGROUND_INPUT, bgd_item)
	245	self.model.setItem(WIDGETS.W_QMIN, blank_item)
	246	self.model.setItem(WIDGETS.W_QMAX, blank_item)
	247	self.model.setItem(WIDGETS.W_SLIT_WIDTH, blank_item)
	248	self.model.setItem(WIDGETS.W_SLIT_HEIGHT, blank_item)
	249	self.model.setItem(WIDGETS.W_NO_TERMS, no_terms_item)
	250	self.model.setItem(WIDGETS.W_REGULARIZATION, reg_item)
	251	self.model.setItem(WIDGETS.W_MAX_DIST, max_dist_item)
	252	self.model.setItem(WIDGETS.W_RG, blank_item)
	253	self.model.setItem(WIDGETS.W_I_ZERO, blank_item)
	254	self.model.setItem(WIDGETS.W_BACKGROUND_OUTPUT, bgd_item)
	255	self.model.setItem(WIDGETS.W_COMP_TIME, blank_item)
	256	self.model.setItem(WIDGETS.W_CHI_SQUARED, blank_item)
	257	self.model.setItem(WIDGETS.W_OSCILLATION, blank_item)
	258	self.model.setItem(WIDGETS.W_POS_FRACTION, blank_item)
	259	self.model.setItem(WIDGETS.W_SIGMA_POS_FRACTION, blank_item)
[fa81e94]	260
	261	def setupWindow(self):
	262	"""Initialize base window state on init"""
	263	self.enableButtons()
	264	self.estimateBgd.setChecked(True)
	265
[8f83719f]	266	def setupValidators(self):
	267	"""Apply validators to editable line edits"""
	268	self.noOfTermsInput.setValidator(QtGui.QIntValidator())
	269	self.regularizationConstantInput.setValidator(GuiUtils.DoubleValidator())
	270	self.maxDistanceInput.setValidator(GuiUtils.DoubleValidator())
	271	self.minQInput.setValidator(GuiUtils.DoubleValidator())
	272	self.maxQInput.setValidator(GuiUtils.DoubleValidator())
	273	self.slitHeightInput.setValidator(GuiUtils.DoubleValidator())
	274	self.slitWidthInput.setValidator(GuiUtils.DoubleValidator())
	275
[fa81e94]	276	######################################################################
	277	# Methods for updating GUI
	278
	279	def enableButtons(self):
	280	"""
	281	Enable buttons when data is present, else disable them
	282	"""
[ae34d30]	283	self.calculateAllButton.setEnabled(len(self._dataList) > 1
	284	and not self.isBatch)
	285	self.calculateThisButton.setEnabled(self.logic.data_is_loaded
	286	and not self.isBatch)
[fa81e94]	287	self.removeButton.setEnabled(self.logic.data_is_loaded)
	288	self.explorerButton.setEnabled(self.logic.data_is_loaded)
[b685c7b]	289	self.regConstantSuggestionButton.setEnabled(
	290	self._calculator.suggested_alpha != self._calculator.alpha)
	291	self.noOfTermsSuggestionButton.setEnabled(
	292	self._calculator.nfunc != self.nTermsSuggested)
[fa81e94]	293
	294	def populateDataComboBox(self, filename, data_ref):
	295	"""
	296	Append a new file name to the data combobox
	297	:param filename: data filename
	298	:param data_ref: QStandardItem reference for data set to be added
	299	"""
[6a3e1fe]	300	self.dataList.addItem(filename, data_ref)
[fa81e94]	301
	302	def acceptNoTerms(self):
	303	"""Send estimated no of terms to input"""
	304	self.model.setItem(WIDGETS.W_NO_TERMS, QtGui.QStandardItem(
	305	self.noOfTermsSuggestionButton.text()))
	306
	307	def acceptAlpha(self):
	308	"""Send estimated alpha to input"""
	309	self.model.setItem(WIDGETS.W_REGULARIZATION, QtGui.QStandardItem(
	310	self.regConstantSuggestionButton.text()))
	311
[edd6720]	312	def displayChange(self, data_index=0):
[47bf906]	313	"""Switch to another item in the data list"""
[edd6720]	314	self.updateDataList(self._data)
	315	self.setCurrentData(self.dataList.itemData(data_index))
[fa81e94]	316
	317	######################################################################
	318	# GUI Interaction Events
	319
[ae34d30]	320	def updateCalculator(self):
[fa81e94]	321	"""Update all p(r) params"""
[edd6720]	322	self._calculator.set_x(self.logic.data.x)
	323	self._calculator.set_y(self.logic.data.y)
	324	self._calculator.set_err(self.logic.data.dy)
[441a03f]	325	self.set_background(self.backgroundInput.text())
	326
	327	def set_background(self, value):
	328	self._calculator.background = is_float(value)
[fa81e94]	329
	330	def model_changed(self):
	331	"""Update the values when user makes changes"""
	332	if not self.mapper:
	333	msg = "Unable to update P{r}. The connection between the main GUI "
	334	msg += "and P(r) was severed. Attempting to restart P(r)."
	335	logging.warning(msg)
	336	self.setClosable(True)
	337	self.close()
[ae34d30]	338	InversionWindow.__init__(self.parent(), list(self._dataList.keys()))
[fa81e94]	339	exit(0)
[8f83719f]	340	if self.dmaxWindow is not None:
[47bf906]	341	self.dmaxWindow.nfunc = self.getNFunc()
[bb6b037]	342	self.dmaxWindow.pr_state = self._calculator
[edd6720]	343	self.mapper.toLast()
[fa81e94]	344
	345	def help(self):
	346	"""
	347	Open the P(r) Inversion help browser
	348	"""
[e90988c]	349	tree_location = "/user/sasgui/perspectives/pr/pr_help.html"
[fa81e94]	350
	351	# Actual file anchor will depend on the combo box index
	352	# Note that we can be clusmy here, since bad current_fitter_id
	353	# will just make the page displayed from the top
[e90988c]	354	self._manager.showHelp(tree_location)
[fa81e94]	355
	356	def toggleBgd(self):
	357	"""
	358	Toggle the background between manual and estimated
	359	"""
[edd6720]	360	if self.estimateBgd.isChecked():
	361	self.manualBgd.setChecked(False)
[fa81e94]	362	self.backgroundInput.setEnabled(False)
[304e42f]	363	self._calculator.set_est_bck = True
[edd6720]	364	elif self.manualBgd.isChecked():
	365	self.estimateBgd.setChecked(False)
[fa81e94]	366	self.backgroundInput.setEnabled(True)
[304e42f]	367	self._calculator.set_est_bck = False
[441a03f]	368	else:
	369	pass
[fa81e94]	370
	371	def openExplorerWindow(self):
	372	"""
	373	Open the Explorer window to see correlations between params and results
	374	"""
	375	from .DMaxExplorerWidget import DmaxWindow
	376	self.dmaxWindow = DmaxWindow(self._calculator, self.getNFunc(), self)
	377	self.dmaxWindow.show()
	378
[98485fe]	379	def showBatchOutput(self):
[76567bb]	380	"""
	381	Display the batch output in tabular form
	382	:param output_data: Dictionary mapping filename -> P(r) instance
	383	"""
[ae34d30]	384	if self.batchResultsWindow is None:
	385	self.batchResultsWindow = BatchInversionOutputPanel(
[98485fe]	386	parent=self, output_data=self.batchResults)
[76567bb]	387	else:
[ae34d30]	388	self.batchResultsWindow.setupTable(self.batchResults)
	389	self.batchResultsWindow.show()
[effdd98]	390
[fa81e94]	391	######################################################################
	392	# Response Actions
	393
	394	def setData(self, data_item=None, is_batch=False):
	395	"""
	396	Assign new data set(s) to the P(r) perspective
	397	Obtain a QStandardItem object and parse it to get Data1D/2D
	398	Pass it over to the calculator
	399	"""
	400	assert data_item is not None
	401
	402	if not isinstance(data_item, list):
	403	msg = "Incorrect type passed to the P(r) Perspective"
[47bf906]	404	raise AttributeError(msg)
[fa81e94]	405
	406	for data in data_item:
[ae34d30]	407	if data in self._dataList.keys():
[8f83719f]	408	# Don't add data if it's already in
[edd6720]	409	continue
[fa81e94]	410	# Create initial internal mappings
[edd6720]	411	self.logic.data = GuiUtils.dataFromItem(data)
[e51e078]	412	# Estimate q range
	413	qmin, qmax = self.logic.computeDataRange()
	414	self._calculator.set_qmin(qmin)
	415	self._calculator.set_qmax(qmax)
	416	self.updateDataList(data)
[edd6720]	417	self.populateDataComboBox(self.logic.data.filename, data)
	418	self.dataList.setCurrentIndex(len(self.dataList) - 1)
	419	self.setCurrentData(data)
[fa81e94]	420
[47bf906]	421	def updateDataList(self, dataRef):
	422	"""Save the current data state of the window into self._data_list"""
[e51e078]	423	if dataRef is None:
	424	return
[ae34d30]	425	self._dataList[dataRef] = {
[e51e078]	426	DICT_KEYS[0]: self._calculator,
[ae34d30]	427	DICT_KEYS[1]: self.prPlot,
	428	DICT_KEYS[2]: self.dataPlot
[47bf906]	429	}
[98485fe]	430	# Update batch results window when finished
	431	self.batchResults[self.logic.data.filename] = self._calculator
[ae34d30]	432	if self.batchResultsWindow is not None:
[98485fe]	433	self.showBatchOutput()
[47bf906]	434
[fa81e94]	435	def getNFunc(self):
	436	"""Get the n_func value from the GUI object"""
[50bfab0]	437	try:
	438	nfunc = int(self.noOfTermsInput.text())
	439	except ValueError:
[edd6720]	440	logging.error("Incorrect number of terms specified: %s"
	441	%self.noOfTermsInput.text())
[50bfab0]	442	self.noOfTermsInput.setText(str(NUMBER_OF_TERMS))
	443	nfunc = NUMBER_OF_TERMS
	444	return nfunc
[fa81e94]	445
	446	def setCurrentData(self, data_ref):
[47bf906]	447	"""Get the data by reference and display as necessary"""
[304e42f]	448	if data_ref is None:
	449	return
[fa81e94]	450	if not isinstance(data_ref, QtGui.QStandardItem):
	451	msg = "Incorrect type passed to the P(r) Perspective"
[e51e078]	452	raise AttributeError(msg)
[fa81e94]	453	# Data references
	454	self._data = data_ref
[edd6720]	455	self.logic.data = GuiUtils.dataFromItem(data_ref)
[ae34d30]	456	self._calculator = self._dataList[data_ref].get(DICT_KEYS[0])
	457	self.prPlot = self._dataList[data_ref].get(DICT_KEYS[1])
	458	self.dataPlot = self._dataList[data_ref].get(DICT_KEYS[2])
[edd6720]	459	self.performEstimate()
[e51e078]	460
	461	def updateGuiValues(self):
	462	pr = self._calculator
	463	out = self._calculator.out
	464	cov = self._calculator.cov
	465	elapsed = self._calculator.elapsed
	466	alpha = self._calculator.suggested_alpha
	467	self.model.setItem(WIDGETS.W_QMIN,
	468	QtGui.QStandardItem("{:.4g}".format(pr.get_qmin())))
	469	self.model.setItem(WIDGETS.W_QMAX,
	470	QtGui.QStandardItem("{:.4g}".format(pr.get_qmax())))
	471	self.model.setItem(WIDGETS.W_BACKGROUND_INPUT,
[effdd98]	472	QtGui.QStandardItem("{:.3g}".format(pr.background)))
[e51e078]	473	self.model.setItem(WIDGETS.W_BACKGROUND_OUTPUT,
	474	QtGui.QStandardItem("{:.3g}".format(pr.background)))
	475	self.model.setItem(WIDGETS.W_COMP_TIME,
	476	QtGui.QStandardItem("{:.4g}".format(elapsed)))
[ae34d30]	477	self.model.setItem(WIDGETS.W_MAX_DIST,
	478	QtGui.QStandardItem("{:.4g}".format(pr.get_dmax())))
[b685c7b]	479	self.regConstantSuggestionButton.setText("{:-3.2g}".format(alpha))
	480	self.noOfTermsSuggestionButton.setText(
	481	"{:n}".format(self.nTermsSuggested))
[e51e078]	482
[304e42f]	483	if isinstance(pr.chi2, np.ndarray):
[e51e078]	484	self.model.setItem(WIDGETS.W_CHI_SQUARED,
	485	QtGui.QStandardItem("{:.3g}".format(pr.chi2[0])))
	486	if out is not None:
	487	self.model.setItem(WIDGETS.W_RG,
	488	QtGui.QStandardItem("{:.3g}".format(pr.rg(out))))
	489	self.model.setItem(WIDGETS.W_I_ZERO,
	490	QtGui.QStandardItem(
	491	"{:.3g}".format(pr.iq0(out))))
	492	self.model.setItem(WIDGETS.W_OSCILLATION, QtGui.QStandardItem(
	493	"{:.3g}".format(pr.oscillations(out))))
	494	self.model.setItem(WIDGETS.W_POS_FRACTION, QtGui.QStandardItem(
	495	"{:.3g}".format(pr.get_positive(out))))
	496	if cov is not None:
	497	self.model.setItem(WIDGETS.W_SIGMA_POS_FRACTION,
	498	QtGui.QStandardItem(
	499	"{:.3g}".format(
	500	pr.get_pos_err(out, cov))))
[ae34d30]	501	if self.prPlot is not None:
	502	title = self.prPlot.name
	503	GuiUtils.updateModelItemWithPlot(self._data, self.prPlot, title)
	504	self.communicate.plotRequestedSignal.emit([self.prPlot])
	505	if self.dataPlot is not None:
	506	title = self.dataPlot.name
	507	GuiUtils.updateModelItemWithPlot(self._data, self.dataPlot, title)
[98485fe]	508	self.communicate.plotRequestedSignal.emit(
[ae34d30]	509	[self.dataPlot, self.logic.data])
[b685c7b]	510	self.enableButtons()
[47bf906]	511
[b9e89d5]	512	def removeData(self, data_list=None):
[47bf906]	513	"""Remove the existing data reference from the P(r) Persepective"""
[b9e89d5]	514	if not data_list:
	515	data_list = [self._data]
[ae34d30]	516	self.closeDMax()
[b9e89d5]	517	for data in data_list:
[ae34d30]	518	self._dataList.pop(data)
	519	data_file = GuiUtils.dataFromItem(data)
	520	self.batchResults.pop(data_file.filename)
[76567bb]	521	self._data = None
[b9e89d5]	522	for index in range(0, len(self.dataList)):
	523	if self.dataList.itemData(index) in data_list:
	524	self.dataList.removeItem(index)
[e51e078]	525	# Last file removed
[ae34d30]	526	if len(self._dataList) == 0:
	527	self.prPlot = None
	528	self.dataPlot = None
[edd6720]	529	self.logic.data = None
[ae34d30]	530	self._calculator = Invertor()
	531	self.closeBatchResults()
[b685c7b]	532	self.nTermsSuggested = NUMBER_OF_TERMS
	533	self.noOfTermsSuggestionButton.setText("{:n}".format(
	534	self.nTermsSuggested))
	535	self.regConstantSuggestionButton.setText("{:-3.2g}".format(
	536	REGULARIZATION))
[edd6720]	537	self.updateGuiValues()
[b685c7b]	538	self.setupModel()
[ba4e3ba]	539	else:
	540	self.dataList.setCurrentIndex(0)
	541	self.updateGuiValues()
[fa81e94]	542
	543	######################################################################
	544	# Thread Creators
[98485fe]	545
[fa81e94]	546	def startThreadAll(self):
[ae34d30]	547	self.calculateAllButton.setText("Calculating...")
[98485fe]	548	self.batchComplete = []
	549	self.isBatch = True
	550	self.performEstimate()
	551
	552	def startNextBatchItem(self):
	553	self.isBatch = False
[ae34d30]	554	for index in range(len(self._dataList)):
[98485fe]	555	if index not in self.batchComplete:
	556	self.dataList.setCurrentIndex(index)
	557	self.isBatch = True
	558	break
	559	if self.isBatch:
[76567bb]	560	self.performEstimate()
[ae34d30]	561	else:
	562	# If no data sets left, end batch calculation
	563	self.calculateAllButton.setText("Calculate All")
[5a5e371]	564	self.showBatchOutput()
[ae34d30]	565	self.enableButtons()
[fa81e94]	566
	567	def startThread(self):
	568	"""
	569	Start a calculation thread
	570	"""
	571	from .Thread import CalcPr
	572
	573	# Set data before running the calculations
[ae34d30]	574	self.updateCalculator()
[fa81e94]	575
	576	# If a thread is already started, stop it
[ae34d30]	577	if self.calcThread is not None and self.calcThread.isrunning():
	578	self.calcThread.stop()
[fa81e94]	579	pr = self._calculator.clone()
	580	nfunc = self.getNFunc()
[ae34d30]	581	self.calcThread = CalcPr(pr, nfunc,
	582	error_func=self._threadError,
	583	completefn=self._calculateCompleted,
	584	updatefn=None)
	585	self.calcThread.queue()
	586	self.calcThread.ready(2.5)
[fa81e94]	587
	588	def performEstimateNT(self):
	589	"""
[f1ec901]	590	Perform parameter estimation
[fa81e94]	591	"""
	592	from .Thread import EstimateNT
	593
[ae34d30]	594	self.updateCalculator()
[edd6720]	595
[fa81e94]	596	# If a thread is already started, stop it
[ae34d30]	597	if (self.estimationThreadNT is not None and
	598	self.estimationThreadNT.isrunning()):
	599	self.estimationThreadNT.stop()
[fa81e94]	600	pr = self._calculator.clone()
	601	# Skip the slit settings for the estimation
	602	# It slows down the application and it doesn't change the estimates
	603	pr.slit_height = 0.0
	604	pr.slit_width = 0.0
	605	nfunc = self.getNFunc()
[f1ec901]	606
[ae34d30]	607	self.estimationThreadNT = EstimateNT(pr, nfunc,
	608	error_func=self._threadError,
	609	completefn=self._estimateNTCompleted,
	610	updatefn=None)
	611	self.estimationThreadNT.queue()
	612	self.estimationThreadNT.ready(2.5)
[fa81e94]	613
	614	def performEstimate(self):
	615	"""
	616	Perform parameter estimation
	617	"""
	618	from .Thread import EstimatePr
	619
	620	# If a thread is already started, stop it
[ae34d30]	621	if (self.estimationThread is not None and
	622	self.estimationThread.isrunning()):
	623	self.estimationThread.stop()
	624	self.estimationThread = EstimatePr(self._calculator.clone(),
	625	self.getNFunc(),
	626	error_func=self._threadError,
	627	completefn=self._estimateCompleted,
	628	updatefn=None)
	629	self.estimationThread.queue()
	630	self.estimationThread.ready(2.5)
[fa81e94]	631
	632	######################################################################
	633	# Thread Complete
	634
	635	def _estimateCompleted(self, alpha, message, elapsed):
[f1ec901]	636	''' Send a signal to the main thread for model update'''
	637	self.estimateSignal.emit((alpha, message, elapsed))
	638
	639	def _estimateUpdate(self, output_tuple):
[fa81e94]	640	"""
	641	Parameter estimation completed,
	642	display the results to the user
	643
	644	:param alpha: estimated best alpha
	645	:param elapsed: computation time
	646	"""
[f1ec901]	647	alpha, message, elapsed = output_tuple
[fa81e94]	648	if message:
	649	logging.info(message)
[98485fe]	650	self.performEstimateNT()
[fa81e94]	651
	652	def _estimateNTCompleted(self, nterms, alpha, message, elapsed):
[f1ec901]	653	''' Send a signal to the main thread for model update'''
	654	self.estimateNTSignal.emit((nterms, alpha, message, elapsed))
	655
	656	def _estimateNTUpdate(self, output_tuple):
[fa81e94]	657	"""
	658	Parameter estimation completed,
	659	display the results to the user
	660
	661	:param alpha: estimated best alpha
	662	:param nterms: estimated number of terms
	663	:param elapsed: computation time
	664	"""
[f1ec901]	665	nterms, alpha, message, elapsed = output_tuple
[e51e078]	666	self._calculator.elapsed = elapsed
	667	self._calculator.suggested_alpha = alpha
	668	self.nTermsSuggested = nterms
[fa81e94]	669	# Save useful info
[e51e078]	670	self.updateGuiValues()
[fa81e94]	671	if message:
	672	logging.info(message)
[98485fe]	673	if self.isBatch:
	674	self.acceptAlpha()
	675	self.acceptNoTerms()
	676	self.startThread()
[fa81e94]	677
[f1ec901]	678	def _calculateCompleted(self, out, cov, pr, elapsed):
	679	''' Send a signal to the main thread for model update'''
	680	self.calculateSignal.emit((out, cov, pr, elapsed))
	681
	682	def _calculateUpdate(self, output_tuple):
[fa81e94]	683	"""
	684	Method called with the results when the inversion is done
	685
	686	:param out: output coefficient for the base functions
	687	:param cov: covariance matrix
	688	:param pr: Invertor instance
	689	:param elapsed: time spent computing
	690	"""
[f1ec901]	691	out, cov, pr, elapsed = output_tuple
[fa81e94]	692	# Save useful info
	693	cov = np.ascontiguousarray(cov)
	694	pr.cov = cov
	695	pr.out = out
	696	pr.elapsed = elapsed
	697
	698	# Save Pr invertor
	699	self._calculator = pr
[f1ec901]	700
[318b353e]	701	# Update P(r) and fit plots
[ae34d30]	702	self.prPlot = self.logic.newPRPlot(out, self._calculator, cov)
	703	self.prPlot.filename = self.logic.data.filename
	704	self.dataPlot = self.logic.new1DPlot(out, self._calculator)
	705	self.dataPlot.filename = self.logic.data.filename
[318b353e]	706
	707	# Udpate internals and GUI
[e51e078]	708	self.updateDataList(self._data)
	709	self.updateGuiValues()
[98485fe]	710	if self.isBatch:
	711	self.batchComplete.append(self.dataList.currentIndex())
	712	self.startNextBatchItem()
[fa81e94]	713
	714	def _threadError(self, error):
	715	"""
	716	Call-back method for calculation errors
	717	"""
	718	logging.warning(error)

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SasView

source: sasview/src/sas/qtgui/Perspectives/Inversion/InversionPerspective.py @ 5a5e371

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