#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2022 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import time import traceback from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5 import PyMcaDirs as xrfmc_dirs from PyMca5.PyMcaIO import ConfigDict from PyMca5.PyMcaGui.misc import SubprocessLogWidget from PyMca5.PyMcaPhysics.xrf.XRFMC import XRFMCHelper QTVERSION = qt.qVersion() class VerticalSpacer(qt.QWidget): def __init__(self, *args): qt.QWidget.__init__(self, *args) self.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Fixed, qt.QSizePolicy.Expanding)) class HorizontalSpacer(qt.QWidget): def __init__(self, *args): qt.QWidget.__init__(self, *args) self.setSizePolicy(qt.QSizePolicy(qt.QSizePolicy.Expanding, qt.QSizePolicy.Fixed)) class GetFileList(qt.QGroupBox): sigFileListUpdated = qt.pyqtSignal(object) def __init__(self, parent=None, title='File Input', nfiles=1): qt.QGroupBox.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.__maxNFiles = nfiles self.fileList = [] self.setTitle(title) self.build() def build(self, text=""): self._label = qt.QLabel(self) self._label.setText(text) self.__listView = qt.QTextEdit(self) n = int(min(self.__maxNFiles, 10)) self.__listButton = qt.QPushButton(self) self.__listButton.setText('Browse') self.__listView.setMaximumHeight(n*self.__listButton.sizeHint().height()) self.__listButton.clicked.connect(self.__browseList) grid = self.mainLayout grid.addWidget(self._label, 0, 0, qt.Qt.AlignTop|qt.Qt.AlignLeft) grid.addWidget(self.__listView, 0, 1) grid.addWidget(self.__listButton, 0, 2, qt.Qt.AlignTop|qt.Qt.AlignRight) def __browseList(self, dummy=True): return self._browseList() def _browseList(self, filetypes="All Files (*)"): self.inputDir = xrfmc_dirs.inputDir if not os.path.exists(self.inputDir): self.inputDir = os.getcwd() wdir = self.inputDir filedialog = qt.QFileDialog(self) filedialog.setWindowTitle("Open a set of files") filedialog.setDirectory(wdir) filedialog.setModal(1) filedialog.setFileMode(filedialog.ExistingFiles) if self.__maxNFiles == 1: filelist = qt.QFileDialog.getOpenFileName(self, "Open a file", wdir, filetypes) if QTVERSION > "5.0.0": # in PyQt5 the call corresponds to getOpenFileNameAndFilter filelist = filelist[0] if len(filelist): filelist = [filelist] else: filelist = qt.QFileDialog.getOpenFileNames(self, "Open a set of files", wdir, filetypes) if QTVERSION > "5.0.0": # in PyQt5 the call corresponds to getOpenFileNameAndFilter filelist = filelist[0] if len(filelist): filelist = [str(x) for x in filelist] self.setFileList(filelist) def setFileList(self,filelist=None): if filelist is None: filelist = [] text = "" self.fileList = filelist if len(self.fileList): self.fileList.sort() for i in range(len(self.fileList)): ffile = self.fileList[i] if i == 0: text += "%s" % ffile else: text += "\n%s" % ffile if len(self.fileList): self.inputDir = os.path.dirname(qt.safe_str(self.fileList[0])) xrfmc_dirs.inputDir = os.path.dirname(qt.safe_str(self.fileList[0])) self.__listView.clear() self.__listView.insertPlainText(text) ddict = {} ddict['event'] = 'fileListUpdated' ddict['filelist'] = self.fileList * 1 self.sigFileListUpdated.emit(ddict) def getFileList(self): if not len(self.fileList): return [] return self.fileList * 1 class PyMcaFitFileList(GetFileList): def __init__(self, parent=None): GetFileList.__init__(self, parent, title='PyMca Configuruation or Fit Result File') self.build("") def _browseList(self, filetypes=\ "PyMca .cfg Files (*.cfg)\nPyMca .fit Files (*.fit)"): GetFileList._browseList(self, filetypes) class XRFMCProgramFile(GetFileList): def __init__(self, parent=None): GetFileList.__init__(self, parent, title='XMIMSIM-PyMca Program Location') self.build("") if XRFMCHelper.XMIMSIM_PYMCA is not None: self.setFileList([XRFMCHelper.XMIMSIM_PYMCA]) def _browseList(self, filetypes="All Files (*)"): self.inputDir = xrfmc_dirs.inputDir if not os.path.exists(self.inputDir): self.inputDir = os.getcwd() wdir = self.inputDir filedialog = qt.QFileDialog(self) if sys.platform == "darwin": filedialog.setWindowTitle("Select XMI-MSIM application bundle") else: filedialog.setWindowTitle("Select xmimsim-pymca executable") filedialog.setDirectory(wdir) filedialog.setModal(1) if sys.platform == 'darwin': filedialog.setFileMode(qt.QFileDialog.Directory) filedialog.setOption(qt.QFileDialog.ShowDirsOnly) filelist = filedialog.exec() if filelist: filelist = filedialog.selectedFiles() filelist = filelist[0] xmimsim = os.path.join(qt.safe_str(filelist), "Contents", "Resources", "xmimsim-pymca") filelist = [xmimsim] else: filedialog.setFileMode(qt.QFileDialog.ExistingFiles) filelist = qt.QFileDialog.getOpenFileName(self, "Selec xmimsim-pymca executable", wdir, filetypes) if QTVERSION > "5.0.0": # in PyQt5 the call corresponds to getOpenFileNameAndFilter filelist = filelist[0] if len(filelist): filelist = [filelist] if len(filelist): self.setFileList(filelist) def setFileList(self, fileList): oldInputDir = xrfmc_dirs.inputDir oldOutputDir = xrfmc_dirs.outputDir if os.path.exists(fileList[0]): GetFileList.setFileList(self, fileList) if oldInputDir is not None: if os.path.exists(oldInputDir): xrfmc_dirs.inputDir = oldInputDir if oldOutputDir is not None: if os.path.exists(oldOutputDir): xrfmc_dirs.outputDir = oldOutputDir class XRFMCIniFile(GetFileList): def __init__(self, parent=None): GetFileList.__init__(self, parent, title='XMIMSIM-PyMca Configuration File') self.build("") def _browseList(self, filetypes = "XMIMSIM-PyMca .ini File (*.ini)\nXMIMSIM-PyMca .fit File (*.fit)"): GetFileList._browseList(self, filetypes) class XRFMCOutputDir(GetFileList): def __init__(self, parent=None): GetFileList.__init__(self, parent, title='XMIMSIM-PyMca Output Directory') self.build("") def _browseList(self, filetypes="All Files (*)"): self.outputDir = xrfmc_dirs.outputDir if not os.path.exists(self.outputDir): self.outputDir = os.getcwd() wdir = self.outputDir filedialog = qt.QFileDialog(self) filedialog.setWindowTitle("Open a set of files") filedialog.setDirectory(wdir) filedialog.setModal(1) filedialog.setFileMode(filedialog.DirectoryOnly) filelist = qt.QFileDialog.getExistingDirectory(self, "Please select the output directory", wdir) if len(filelist): filelist = [str(filelist)] self.setFileList(filelist) class XRFMCParameters(qt.QGroupBox): def __init__(self, parent=None, title='XMIMSIM-PyMca Configuration'): qt.QGroupBox.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) self.setTitle(title) # I should read a default configuration file # for the time being I define it here self.__configuration = {} self.__configuration['xrfmc'] ={} self.__configuration['xrfmc']['setup'] = {} current = self.__configuration['xrfmc']['setup'] current['p_polarisation'] = 0.995 current['source_sample_distance'] = 100.0 current['slit_distance'] = 100.0 current['slit_width_x'] = 0.005 current['slit_width_y'] = 0.005 current['source_size_x'] = 0.0005 current['source_size_y'] = 0.0001 current['source_diverg_x'] = 0.0001 current['source_diverg_y'] = 0.0001 current['nmax_interaction'] = 4 current['layer'] = 1 # these are assumed by the Monte Carlo code current['collimator_height'] = 0.0 current['collimator_diameter'] = 0.0 self.build() self.__update() def build(self): self.__text = ["Photon beam polarisation degree:", "Source horizontal size FWHM (cm):", "Source vertical size FWHM (cm):", "Source horizontal divergence (rad):", "Source vertical divergence (rad):", "Distance beam source to slits (cm):", "Distance beam source to sample (cm):", "Slit width (cm):", "Slit height (cm):", # "Detector acceptance angle (rad):", "Maximum number of sample interactions: ", "Sample layer to be adjusted:"] i = 0 for t in self.__text: label = qt.QLabel(self) label.setText(t) self.mainLayout.addWidget(label, i, 0) i += 1 self.__widgetList = [] #polarisation i = 0 self.polarisationSB = qt.QDoubleSpinBox(self) self.polarisationSB.setRange(0.0, 1.0) self.polarisationSB.setDecimals(5) self.__widgetList.append(self.polarisationSB) self.mainLayout.addWidget(self.polarisationSB, i, 1) i += 1 #source horizontal size self.sourceHSize = qt.QDoubleSpinBox(self) self.sourceHSize.setRange(0.0, 1.0) self.sourceHSize.setDecimals(5) self.__widgetList.append(self.sourceHSize) self.mainLayout.addWidget(self.sourceHSize, i, 1) i += 1 #source vertical size self.sourceVSize = qt.QDoubleSpinBox(self) self.sourceVSize.setRange(0.0, 1.0) self.sourceVSize.setDecimals(5) self.__widgetList.append(self.sourceVSize) self.mainLayout.addWidget(self.sourceVSize, i, 1) i += 1 # Source horizontal divergence self.sourceHDivergence = qt.QDoubleSpinBox(self) self.sourceHDivergence.setDecimals(5) self.sourceHDivergence.setRange(0.0, 3.1415926) self.__widgetList.append(self.sourceHDivergence) self.mainLayout.addWidget(self.sourceHDivergence, i, 1) i += 1 # Source vertical divergence self.sourceVDivergence = qt.QDoubleSpinBox(self) self.sourceVDivergence.setDecimals(5) self.sourceVDivergence.setRange(0.0, 3.14159) self.__widgetList.append(self.sourceVDivergence) self.mainLayout.addWidget(self.sourceVDivergence, i, 1) i += 1 # Distance source sample self.sourceSampleDistance = qt.QDoubleSpinBox(self) self.sourceSampleDistance.setDecimals(5) self.sourceSampleDistance.setRange(0.0001, 100000.0) self.__widgetList.append(self.sourceSampleDistance) self.mainLayout.addWidget(self.sourceSampleDistance, i, 1) i += 1 # Distance source slits self.sourceSlitsDistance = qt.QDoubleSpinBox(self) self.sourceSlitsDistance.setDecimals(5) self.sourceSlitsDistance.setRange(0.0001, 100000.0) self.__widgetList.append(self.sourceSlitsDistance) self.mainLayout.addWidget(self.sourceSlitsDistance, i, 1) i += 1 # Slit H size self.slitsHWidth = qt.QDoubleSpinBox(self) self.slitsHWidth.setDecimals(5) self.slitsHWidth.setRange(0.0001, 100.0) self.__widgetList.append(self.slitsHWidth) self.mainLayout.addWidget(self.slitsHWidth, i, 1) i += 1 # Slit V size self.slitsVWidth = qt.QDoubleSpinBox(self) self.slitsVWidth.setDecimals(5) self.slitsVWidth.setRange(0.0001, 100.0) self.__widgetList.append(self.slitsVWidth) self.mainLayout.addWidget(self.slitsVWidth, i, 1) i += 1 # Detector acceptance angle if 0: # this was used in previous versions of the code self.acceptanceAngle = qt.QDoubleSpinBox(self) self.acceptanceAngle.setDecimals(5) self.acceptanceAngle.setRange(0.0001, 3.14159) self.__widgetList.append(self.acceptanceAngle) self.mainLayout.addWidget(self.acceptanceAngle, i, 1) i += 1 # Maximum number of interactions self.maxInteractions = qt.QSpinBox(self) self.maxInteractions.setMinimum(1) self.__widgetList.append(self.maxInteractions) self.mainLayout.addWidget(self.maxInteractions, i, 1) i += 1 # Layer to be adjusted self.fitLayer = qt.QSpinBox(self) self.fitLayer.setMinimum(0) self.fitLayer.setValue(0) self.__widgetList.append(self.fitLayer) self.mainLayout.addWidget(self.fitLayer, i, 1) i += 1 def setParameters(self, ddict0): if 'xrfmc' in ddict0: ddict = ddict0['xrfmc']['setup'] else: ddict= ddict0 current = self.__configuration['xrfmc']['setup'] keyList = current.keys() for key in keyList: value = ddict.get(key, current[key]) current[key] = value self.__update() return def __update(self): current = self.__configuration['xrfmc']['setup'] key = 'p_polarisation' self.polarisationSB.setValue(current[key]) key = 'source_diverg_x' self.sourceHDivergence.setValue(current[key]) key = 'source_diverg_y' self.sourceVDivergence.setValue(current[key]) key = 'source_sample_distance' self.sourceSampleDistance.setValue(current[key]) key = 'slit_distance' self.sourceSlitsDistance.setValue(current[key]) key = 'slit_width_x' self.slitsHWidth.setValue(current[key]) key = 'slit_width_y' self.slitsVWidth.setValue(current[key]) key = 'source_size_x' self.sourceHSize.setValue(current[key]) key = 'source_size_y' self.sourceVSize.setValue(current[key]) if 0: key = 'detector_acceptance_angle' self.acceptanceAngle.setValue(current[key]) key = 'nmax_interaction' self.maxInteractions.setValue(current[key]) key = 'layer' self.fitLayer.setValue(current[key] - 1) def getParameters(self): current = self.__configuration['xrfmc']['setup'] key = 'p_polarisation' current[key] = self.polarisationSB.value() key = 'source_diverg_x' current[key] = self.sourceHDivergence.value() key = 'source_diverg_y' current[key] = self.sourceVDivergence.value() key = 'source_sample_distance' current[key] = self.sourceSampleDistance.value() key = 'slit_distance' current[key] = self.sourceSlitsDistance.value() key = 'slit_width_x' current[key] = self.slitsHWidth.value() key = 'slit_width_y' current[key] = self.slitsVWidth.value() key = 'source_size_x' current[key] = self.sourceHSize.value() key = 'source_size_y' current[key] = self.sourceVSize.value() if 0: # used in older versions key = 'detector_acceptance_angle' current[key] = self.acceptanceAngle.value() key = 'nmax_interaction' current[key] = self.maxInteractions.value() key = 'layer' current[key] = self.fitLayer.value() + 1 return self.__configuration def getLabelsAndValues(self): labels = self.__text i = 0 values = [] for w in self.__widgetList: values.append(w.value()) i += 1 return labels, values class XRFMCSimulationControl(qt.QGroupBox): def __init__(self, parent=None, fit=False): qt.QGroupBox.__init__(self, parent) self.setTitle("Simulation Control") self._fit = fit self.build() def build(self): self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) i = 0 if 0: label = qt.QLabel(self) label.setText("Run Number (0 for first run):") self.__runNumber = qt.QSpinBox(self) self.__runNumber.setMinimum(0) self.__runNumber.setValue(0) self.mainLayout.addWidget(label, i, 0) self.mainLayout.addWidget(self.__runNumber, i, 1) i += 1 if self._fit: label = qt.QLabel(self) label.setText("Select simulation or fit mode:") self._simulationMode = qt.QComboBox(self) self._simulationMode.setEditable(False) self._simulationMode.addItem("Simulation") self._simulationMode.addItem("Fit") self.mainLayout.addWidget(label, i, 0) self.mainLayout.addWidget(self._simulationMode, i, 1) i += 1 if 1: label = qt.QLabel(self) label.setText("Number of histories:") self.__nHistories = qt.QSpinBox(self) self.__nHistories.setMinimum(1000) self.__nHistories.setMaximum(10000000) self.__nHistories.setValue(100000) self.__nHistories.setSingleStep(50000) self.mainLayout.addWidget(label, i, 0) self.mainLayout.addWidget(self.__nHistories, i, 1) i += 1 def getParameters(self): ddict = {} if 0: ddict['run'] = self.__runNumber.value() ddict['histories'] = self.__nHistories.value() return ddict def setParameters(self, ddict0): if 'xrfmc' in ddict0: ddict = ddict0['xrfmc']['setup'] else: ddict= ddict0 if 'histories' in ddict: self.__nHistories.setValue(int(ddict['histories'])) def getSimulationMode(self): current = self._simulationMode.currentIndex() if current: mode = "Fit" else: mode = "Simulation" return mode def setSimulationMode(self, mode=""): current = 0 if hasattr(mode, "lower"): if mode.lower() == "fit": current = 1 self._simulationMode.setCurrentIndex(current) class XRFMCTabWidget(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.setWindowTitle("XRFMC Tab Widget") self.build() def build(self): self.mainLayout = qt.QVBoxLayout(self) self.programWidget = XRFMCProgramFile(self) self.parametersWidget = XRFMCParameters(self) self.simulationWidget = XRFMCSimulationControl(self, fit=False) self.mainLayout.addWidget(self.programWidget) self.mainLayout.addWidget(self.parametersWidget) self.mainLayout.addWidget(self.simulationWidget) self.mainLayout.addWidget(VerticalSpacer(self)) def getParameters(self): ddict = self.parametersWidget.getParameters() program = self.programWidget.getFileList() control = self.simulationWidget.getParameters() ddict['xrfmc']['setup']['histories'] = control['histories'] if len(program) > 0: ddict['xrfmc']['program'] = program[0] else: ddict['xrfmc']['program'] = None return ddict def setParameters(self, ddict): self.parametersWidget.setParameters(ddict) if ddict['xrfmc']['program'] not in ["None", None, ""]: self.programWidget.setFileList([ddict['xrfmc']['program']]) self.simulationWidget.setParameters(ddict) class XRFMCActions(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QHBoxLayout(self) self.startButton = qt.QPushButton(self) self.startButton.setText("Start") self.startButton.setAutoDefault(False) self.dismissButton = qt.QPushButton(self) self.dismissButton.setText("Dismiss") self.dismissButton.setAutoDefault(False) self.mainLayout.addWidget(self.startButton) self.mainLayout.addWidget(HorizontalSpacer(self)) self.mainLayout.addWidget(self.dismissButton) class XRFMCPyMca(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.setWindowTitle("XMIMSIM-PyMca") self.fitConfiguration = None self.logWidget = None #self._loggedProcess = None self.build() self.buildConnections() def build(self): self.mainLayout = qt.QGridLayout(self) self.programWidget = XRFMCProgramFile(self) self.fitFileWidget = PyMcaFitFileList(self) #self.iniFileWidget = XRFMCIniFile(self) self.outputDirWidget = XRFMCOutputDir(self) self.parametersWidget = XRFMCParameters(self) self.simulationWidget = XRFMCSimulationControl(self, fit=True) self.actions = XRFMCActions(self) self.logWidget = SubprocessLogWidget.SubprocessLogWidget() self.logWidget.setMinimumWidth(400) i = 0 self.mainLayout.addWidget(self.programWidget, i, 0) i += 1 self.mainLayout.addWidget(self.fitFileWidget, i, 0) i += 1 #self.mainLayout.addWidget(self.iniFileWidget, i, 0) #i += 1 self.mainLayout.addWidget(self.outputDirWidget, i, 0) i += 1 self.mainLayout.addWidget(self.parametersWidget, i, 0) i += 1 self.mainLayout.addWidget(self.simulationWidget, i, 0) i += 1 self.mainLayout.addWidget(self.actions, i, 0) i += 1 self.mainLayout.addWidget(VerticalSpacer(self), i,0) i += 1 self.mainLayout.addWidget(self.logWidget, 0, 1, i, 1) i += 1 def buildConnections(self): self.fitFileWidget.sigFileListUpdated.connect(self.fitFileChanged) self.actions.startButton.clicked.connect(self.start) self.actions.dismissButton.clicked.connect(self.close) self.logWidget.sigSubprocessLogWidgetSignal.connect(\ self.subprocessSlot) def closeEvent(self, event): if self._closeDialog(): event.accept() else: event.ignore() def _closeDialog(self): if self.logWidget is None: close = True elif self.logWidget.isSubprocessRunning(): msg = qt.QMessageBox(self) msg.setWindowTitle("Simulation going on") msg.setIcon(qt.QMessageBox.Information) msg.setText("Do you want to stop on-going simulation?") msg.setStandardButtons(qt.QMessageBox.Yes|qt.QMessageBox.No) answer=msg.exec() if answer == qt.QMessageBox.Yes: self.logWidget.stop() close = True else: print("NOT KILLING") close = False else: close = True return close def errorMessage(self, text, title='ERROR'): qt.QMessageBox.critical(self, title, text) def fitFileChanged(self, ddict): #for the time being only one ... fitfile= ddict['filelist'][0] self.fitConfiguration = ConfigDict.ConfigDict() self.fitConfiguration.read(fitfile) if 'result' in self.fitConfiguration: matrix = self.fitConfiguration['result']\ ['config']['attenuators'].get('Matrix', None) else: matrix = self.fitConfiguration\ ['attenuators'].get('Matrix', None) if matrix is None: text = 'Undefined sample matrix in file %s' % fitfile title = "Invalid Matrix" self.errorMessage(text, title) return if matrix[0] != 1: text = 'Undefined sample matrix in file %s' % fitfile title = "Matrix not considered in fit" self.errorMessage(text, title) return if matrix[1] == '-': text = 'Invalid sample Composition "%s"' % matrix[1] title = "Invalid Sample" self.errorMessage(text, title) return if 'xrfmc' in self.fitConfiguration: if 'setup' in self.fitConfiguration['xrfmc']: self.parametersWidget.setParameters(self.fitConfiguration) if matrix[1] != "MULTILAYER": self.parametersWidget.setParameters({'layer':1}) self.parametersWidget.fitLayer.setMaximum(0) def configurationFileChanged(self, ddict): configFile= ddict['filelist'][0] configuration = ConfigDict.ConfigDict() configuration.read(configFile) if not ('setup' in configuration['xrfmc']): title = "Invalid file" text = "Invalid configuration file." self.errorMessage(text, title) else: self.parametersWidget.setParameters(configuration['xrfmc']['setup']) def errorMessage(self, text, title=None): msg = qt.QMessageBox(self) if title is not None: msg.setWindowTitle(title) msg.setIcon(qt.QMessageBox.Critical) msg.setText(text) msg.exec() def start(self): try: self._start() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Plugin error") msg.setText("An error has occured while executing the plugin:") msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec() def _start(self): """ """ if self.logWidget is not None: if self.logWidget.isSubprocessRunning(): text = "A simulation is already started\n" self.errorMessage(text) return pymcaFitFile = self.fitFileWidget.getFileList() if len(pymcaFitFile) < 1: text = "PyMca .fit or .cfg file is mandatory\n" self.errorMessage(text) return pymcaFitFile = pymcaFitFile[0] program = self.programWidget.getFileList() if len(program) < 1: text = "Simulation program file is mandatory\n" self.errorMessage(text) return program = program[0] #This one would only be needed for backup purposes #self.iniFileWidget.getFileList() #The output directory outputDir = self.outputDirWidget.getFileList() if len(outputDir) < 1: text = "Output directory is mandatory\n" self.errorMessage(text) return #the actual parameters to be used ddict = self.parametersWidget.getParameters() #the output directory ddict['xrfmc']['setup']['output_dir'] = outputDir[0] self.__outputDir = outputDir[0] #the simulation parameters simPar = self.simulationWidget.getParameters() ddict['xrfmc']['setup']['histories'] = simPar['histories'] #write a file containing both, PyMca and XRFMC configuration in output dir if pymcaFitFile.lower().endswith(".cfg"): # not a fit result but a configuration file # but this does not work newFile=ConfigDict.ConfigDict() newFile.read(pymcaFitFile) #perform a dummy fit till xmimsim-pymca is upgraded if 0: import numpy from PyMca import ClassMcaTheory newFile['fit']['linearfitflag']=1 newFile['fit']['stripflag']=0 newFile['fit']['stripiterations']=0 xmin = newFile['fit']['xmin'] xmax = newFile['fit']['xmax'] #xdata = numpy.arange(xmin, xmax + 1) * 1.0 xdata = numpy.arange(0, xmax + 1) * 1.0 ydata = 0.0 + 0.1 * xdata mcaFit = ClassMcaTheory.McaTheory() mcaFit.configure(newFile) mcaFit.setData(x=xdata, y=ydata, xmin=xmin, xmax=xmax) mcaFit.estimate() fitresult,result = mcaFit.startfit(digest=1) newFile = None nfile=ConfigDict.ConfigDict() nfile['result'] = result #nfile.write("tmpFitFileFromConfig.fit") else: nfile = ConfigDict.ConfigDict() nfile.read(pymcaFitFile) nfile.update(ddict) newFile = os.path.join(outputDir[0],\ os.path.basename(pymcaFitFile[:-4] + ".fit")) else: nfile = ConfigDict.ConfigDict() nfile.read(pymcaFitFile) nfile.update(ddict) newFile = os.path.join(outputDir[0],\ os.path.basename(pymcaFitFile)) if os.path.exists(newFile): os.remove(newFile) nfile.write(newFile) nfile = None fileNamesDict = XRFMCHelper.getOutputFileNames(newFile, outputDir=outputDir[0]) if newFile != fileNamesDict['fit']: raise ValueError("Inconsistent internal behaviour!") scriptName = fileNamesDict['script'] scriptFile = XRFMCHelper.getScriptFile(program, name=scriptName) csvName = fileNamesDict['csv'] speName = fileNamesDict['spe'] xmsoName = fileNamesDict['xmso'] # basic parameters args = [scriptFile, #"--enable-single-run", "--verbose", "--spe-file=%s" % speName, "--csv-file=%s" % csvName, #"--enable-roi-normalization", #"--disable-roi-normalization", #default #"--enable-pile-up" #"--disable-pile-up" #default #"--enable-poisson", #"--disable-poisson", #default no noise #"--set-threads=2", #overwrite default maximum newFile, xmsoName] self.__fileNamesDict = fileNamesDict # additionalParameters if self.simulationWidget.getSimulationMode().lower() == "fit": simulationParameters = [] else: simulationParameters = ["--enable-single-run", "--set-threads=2"] i = 0 for parameter in simulationParameters: i += 1 args.insert(1, parameter) # show the command on the log widget text = "%s" % scriptFile for arg in args[1:]: text += " %s" % arg self.logWidget.clear() self.logWidget.append(text) self.logWidget.start(args=args) def subprocessSlot(self, ddict): if ddict['event'] == "ProcessStarted": # we do not need a direct handle to the process #self._loggedProcess = ddict['subprocess'] return if ddict['event'] == "ProcessFinished": returnCode = ddict['code'] msg = qt.QMessageBox(self) msg.setWindowTitle("Simulation finished") if returnCode == 0: msg.setIcon(qt.QMessageBox.Information) text = "Simulation finished, output written to the directory:\n" text += "%s" % self.__outputDir else: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) text = "Simulation finished with error code %d\n" % (returnCode) for line in ddict['message']: text += line msg.setText(text) msg.exec() xmsoName = self.__fileNamesDict['xmso'] if __name__ == "__main__": app = qt.QApplication([]) app.lastWindowClosed.connect(app.quit) w = XRFMCPyMca() w.show() app.exec()