#/*########################################################################## # Copyright (C) 2018 V.A. Sole, European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # 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. # #############################################################################*/ __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import logging import os import sys import traceback import time from .SimpleFitGui import SimpleFitGui from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaCore import PyMcaDirs from PyMca5.PyMcaMath.fitting import SimpleFitAll from PyMca5.PyMcaMath.fitting import SimpleFitModule from PyMca5.PyMcaMath.fitting import SpecfitFunctions from PyMca5.PyMcaGui.math.fitting import SpecfitConfigGui from PyMca5.PyMcaGui.misc import CalculationThread _logger = logging.getLogger(__name__) class OutputParameters(qt.QWidget): def __init__(self, parent=None): qt.QWidget.__init__(self, parent) self.mainLayout = qt.QGridLayout(self) self.mainLayout.setContentsMargins(2, 2, 2, 2) self.mainLayout.setSpacing(2) self.outputDirLabel = qt.QLabel(self) self.outputDirLabel.setText("Output directory") self.outputDirLine = qt.QLineEdit(self) self.outputDirLine.setReadOnly(True) self.outputDirButton = qt.QPushButton(self) self.outputDirButton.setText("Browse") self.outputDirButton.clicked.connect(self.browseDirectory) self.outputFileLabel = qt.QLabel(self) self.outputFileLabel.setText("Output file root") self.outputFileLine = qt.QLineEdit(self) self.outputDir = PyMcaDirs.outputDir self.outputFile = "SimpleFitAllOutput.h5" self.setOutputDirectory(self.outputDir) self.setOutputFileName(self.outputFile) self.mainLayout.addWidget(self.outputDirLabel, 0, 0) self.mainLayout.addWidget(self.outputDirLine, 0, 1) self.mainLayout.addWidget(self.outputDirButton, 0, 2) self.mainLayout.addWidget(self.outputFileLabel, 1, 0) self.mainLayout.addWidget(self.outputFileLine, 1, 1) def getOutputDirectory(self): return qt.safe_str(self.outputDirLine.text()) def getOutputFileName(self): return qt.safe_str(self.outputFileLine.text()) def setOutputDirectory(self, txt): if os.path.exists(txt): self.outputDirLine.setText(txt) self.outputDir = txt PyMcaDirs.outputDir = txt else: raise IOError("Directory does not exists") def setOutputFileName(self, txt): if len(txt): self.outputFileLine.setText(txt) self.outputFile = txt def browseDirectory(self): wdir = self.outputDir outputDir = qt.QFileDialog.getExistingDirectory( self, "Please select output directory", wdir) if len(outputDir): self.setOutputDirectory(qt.safe_str(outputDir)) class SimpleFitAllGui(SimpleFitGui): def __init__(self, parent=None, fit=None, graph=None, actions=True): if fit is None: fit = SimpleFitModule.SimpleFit() # inject config widget by patching the module w = SpecfitConfigGui.SpecfitConfigGui SpecfitFunctions.WIDGET = [w for _t in SpecfitFunctions.THEORY] fit.importFunctions(SpecfitFunctions) fit.loadUserFunctions() SimpleFitGui.__init__(self, parent, fit, graph, actions) self.fitAllInstance = SimpleFitAll.SimpleFitAll(fit=self.fitModule) self.fitActions.dismissButton.hide() self.outputParameters = OutputParameters(self) self.startFitAllButton = qt.QPushButton(self) self.startFitAllButton.setText("Fit all") self.startFitAllButton.clicked.connect(self.startFitAll) self.progressBar = qt.QProgressBar(self) self.mainLayout.addWidget(self.outputParameters) self.mainLayout.addWidget(self.startFitAllButton) self.mainLayout.addWidget(self.progressBar) # progress handling self._total = 100 self._index = 0 self.fitAllInstance.setProgressCallback(self.progressUpdate) self.curves_x = None self.curves_y = None self.legends = None self.xlabels = None self.ylabels = None # store active curve self._activeData = None def setSpectrum(self, x, y, sigma=None, xmin=None, xmax=None): """Set the main active curve to be plotted, for estimation purposes.""" self._activeData = x, y, sigma, xmin, xmax SimpleFitGui.setData(self, x, y, sigma, xmin, xmax) def setSpectra(self, curves_x, curves_y, legends=None, xlabels=None, ylabels=None): """Set all curves to be fitted. :param curves_x: list of 1D arrays of X curve values :param curves_y: list of 1D arrays of Y curve values. :param legends: list of curve legends """ self.curves_x = curves_x self.curves_y = curves_y self.legends = legends self.xlabels = xlabels self.ylabels = ylabels def startFitAll(self): xmin = self.fitModule._fitConfiguration['fit']['xmin'] xmax = self.fitModule._fitConfiguration['fit']['xmax'] self.fitAllInstance.setOutputDirectory( self.outputParameters.getOutputDirectory()) self.fitAllInstance.setOutputFileName( self.outputParameters.getOutputFileName()) self.fitAllInstance.setData(self.curves_x, self.curves_y, sigma=None, xmin=xmin, xmax=xmax, legends=self.legends, xlabels=self.xlabels, ylabels=self.ylabels) fileName = self.outputParameters.getOutputFileName() if os.path.exists(fileName): msg = qt.QMessageBox() msg.setWindowTitle("Output file(s) exists") msg.setIcon(qt.QMessageBox.Information) msg.setText("Do you want to delete current output files?") msg.setStandardButtons(qt.QMessageBox.Yes | qt.QMessageBox.Cancel) answer = msg.exec() if answer == qt.QMessageBox.Yes: try: if os.path.exists(fileName): os.remove(fileName) except: qt.QMessageBox.critical( self, "Delete Error", "ERROR while deleting file:\n%s" % fileName, qt.QMessageBox.Ok, qt.QMessageBox.NoButton, qt.QMessageBox.NoButton) return else: return try: self._startWork() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Fitting All Error") msg.setText("Error has occurred while processing the data") msg.setInformativeText(qt.safe_str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec() finally: self.progressBar.hide() self.setEnabled(True) if self._activeData is not None: self.setSpectrum(*self._activeData) def _startWork(self): self.setEnabled(False) self.progressBar.show() thread = CalculationThread.CalculationThread( parent=self, calculation_method=self.processAll) thread.start() self._total = 100 self._index = 0 while thread.isRunning(): time.sleep(2) qApp = qt.QApplication.instance() qApp.processEvents() self.progressBar.setMaximum(self._total) self.progressBar.setValue(self._index) self.progressBar.hide() self.setEnabled(True) if thread.result is not None: if len(thread.result): tb = thread.result[-1] traceback.print_tb(tb) raise RuntimeError(*thread.result[1:]) def processAll(self): # fill estimation from table, in case it has been updated manually self.fitModule.paramlist = self.parametersTable.fillFitFromTable() self.fitAllInstance.processAll() def progressUpdate(self, idx, total): self._index = int(idx) self._total = int(total) if idx % 10 == 0: _logger.info("Fitted %d of %d", idx, total)