#/*########################################################################## # # The PyMca X-Ray Fluorescence Toolkit # # Copyright (c) 2004-2016 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. # #############################################################################*/ __author__ = "V. Armando Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import os import sys import numpy import traceback import copy from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMca_Icons IconDict = PyMca_Icons.IconDict from PyMca5.PyMcaGui import PlotWindow from PyMca5.PyMcaGui import XASParameters from PyMca5.PyMca import XASClass DEBUG = 0 class XASDialog(qt.QDialog): def __init__(self, parent=None, analyzer=None, backend=None): super(XASDialog, self).__init__(parent) self.setWindowTitle("XAS Window") self.mainLayout = qt.QVBoxLayout(self) self.mainLayout.setContentsMargins(0, 0, 0, 0) self.mainLayout.setSpacing(2) # the main window self.xasWindow = XASWindow(self, analyzer=analyzer, backend=backend) self.setSpectrum = self.xasWindow.setSpectrum self.setConfiguration = self.xasWindow.setConfiguration self.getConfiguration = self.xasWindow.getConfiguration # the actions actionContainer = qt.QWidget(self) actionContainer.mainLayout = qt.QHBoxLayout(actionContainer) actionContainer.mainLayout.setContentsMargins(0, 0, 0, 0) actionContainer.mainLayout.setSpacing(2) self.acceptButton = qt.QPushButton(actionContainer) self.acceptButton.setText("Accept Seen Configuration") self.acceptButton.setAutoDefault(False) self.acceptButton.clicked.connect(self.accept) self.cancelButton = qt.QPushButton(actionContainer) self.cancelButton.setText("Reject Seen Configuration") self.cancelButton.setAutoDefault(False) self.cancelButton.clicked.connect(self.reject) actionContainer.mainLayout.addWidget(self.acceptButton) actionContainer.mainLayout.addWidget(self.cancelButton) # arrange things #self.actionContainer = actionContainer self.mainLayout.addWidget(self.xasWindow) self.mainLayout.addWidget(actionContainer) class XASWindow(qt.QMainWindow): def __init__(self, parent=None, analyzer=None, color="blue", backend=None): super(XASWindow, self).__init__(parent) self.setWindowTitle("XAS Window") if parent is not None: # behave as a widget self.setWindowFlags(qt.Qt.Widget) if analyzer is None: analyzer = XASClass.XASClass() self.mdiArea = XASMdiArea(self, analyzer=analyzer, backend=backend) self.setCentralWidget(self.mdiArea) self.parametersDockWidget = qt.QDockWidget(self) self.parametersDockWidget.layout().setContentsMargins(0, 0, 0, 0) self.parametersWidget = XASParameters.XASParameters(color=color) self.parametersDockWidget.setWidget(self.parametersWidget) self.addDockWidget(qt.Qt.RightDockWidgetArea, self.parametersDockWidget) # connect self.parametersWidget.sigXASParametersSignal.connect(self._parametersSlot) self.mdiArea.sigXASMdiAreaSignal.connect(self._update) def setSpectrum(self, energy, mu): self.mdiArea.setSpectrum(energy, mu) self.parametersWidget.setSpectrum(energy, mu) def setConfiguration(self, ddict): self.mdiArea.setConfiguration(ddict) self.parametersWidget.setParameters(ddict) def getConfiguration(self, ddict): return self.mdiArea.getConfiguration() def setParameters(self, ddict): self.parametersWidget.setParameters(ddict) def getParameters(self): return self.parametersWidget.getParameters() def _parametersSlot(self, ddict): if DEBUG: print("XASWindow.parametersSlot", ddict) analyzer = self.mdiArea.analyzer if "XASParameters" in ddict: ddict = ddict["XASParameters"] analyzer.setConfiguration(ddict) if DEBUG: print("ANALYZER CONFIGURATION FINAL") print(analyzer.getConfiguration()) self.update() def update(self, ddict=None): if ddict is None: # The emitted signal will reach self._update ddict = self.mdiArea.update() else: self._update(ddict) def _update(self, ddict): jump = ddict["Jump"] e0 = ddict["Edge"] maximumKRange = XASClass.e2k(ddict["NormalizedEnergy"][-1] - e0) self.parametersWidget.setJump(jump) self.parametersWidget.setMaximumK(maximumKRange) def setTitleColor(self, color): self.parametersWidget.setTitleColor(color) class XASMdiArea(qt.QMdiArea): sigXASMdiAreaSignal = qt.pyqtSignal(object) def __init__(self, parent=None, analyzer=None, backend=None): super(XASMdiArea, self).__init__(parent) if analyzer is None: analyzer = XASClass.XASClass() self.analyzer = analyzer #self.setActivationOrder(qt.QMdiArea.CreationOrder) self._windowDict = {} self._windowList = ["Spectrum", "Post-edge", "Signal", "FT"] self._windowList.reverse() for title in self._windowList: plot = PlotWindow.PlotWindow(self, #control=True, position=True, backend=backend) plot.setWindowTitle(title) self.addSubWindow(plot) self._windowDict[title] = plot plot.setDataMargins(0, 0, 0.025, 0.025) self._windowList.reverse() self.setActivationOrder(qt.QMdiArea.StackingOrder) self.tileSubWindows() #self.cascadeSubWindows() #for window in self.subWindowList(): # print(" window = ", window.windowTitle()) def getConfiguration(self): return self.analyzer.getConfiguration() def setConfiguration(self, ddict): # TODO: try except message return self.analyzer.setConfiguration(ddict) def setSpectrum(self, energy, mu): for key in self._windowDict: self._windowDict[key].clearCurves() # try to detect if we are working in eV or in keV if energy [0] < 200: if abs(energy[-1] - energy[0]) < 10: energy = energy * 1000. self._windowDict["Spectrum"].addCurve(energy, mu, legend="Spectrum", xlabel="Energy (eV)", ylabel="Absorption (a.u.)") return self.analyzer.setSpectrum(energy, mu) def update(self, ddict=None): if ddict is None: ddict = self.analyzer.processSpectrum() idx = (ddict["NormalizedEnergy"] >= ddict["NormalizedPlotMin"]) & \ (ddict["NormalizedEnergy"] <= ddict["NormalizedPlotMax"]) plot = self._windowDict["Spectrum"] e0 = ddict["Edge"] plot.addCurve(ddict["Energy"] - e0, ddict["Mu"], legend="Spectrum", xlabel="Energy (eV)", ylabel="Absorption (a.u.)", replot=False, replace=True) plot.addCurve(ddict["NormalizedEnergy"][idx] - e0, ddict["NormalizedMu"][idx], legend="Normalized", xlabel="Energy (eV)", ylabel="Absorption (a.u.)", yaxis="right", replot=False) plot.addCurve(ddict["NormalizedEnergy"] - e0, ddict["NormalizedSignal"], legend="Post", replot=False) plot.addCurve(ddict["NormalizedEnergy"] - e0, ddict["NormalizedBackground"], legend="Pre",replot=False) plot.resetZoom() #idxK = ddict["EXAFSKValues"] >= 0 idx = (ddict["EXAFSKValues"] >= ddict["KMin"]) & \ (ddict["EXAFSKValues"] <= ddict["KMax"]) plot = self._windowDict["Post-edge"] plot.addCurve(ddict["EXAFSKValues"][idx], ddict["EXAFSSignal"][idx], legend="EXAFSSignal", xlabel="K", ylabel="Normalized Units", replace=True, replot=False) plot.addCurve(ddict["EXAFSKValues"][idx], ddict["PostEdgeB"][idx], legend="PostEdge", xlabel="K", ylabel="Normalized Units", color="blue", replot=False) if 0: plot.clearMarkers() for i in range(len(ddict["KnotsX"])): plot.insertMarker(ddict["KnotsX"][i], ddict["KnotsY"][i], legend="Knot %d" % (i+1), text="Knot %d" % (i+1), replot=False, draggable=False, selectable=False, color="orange") else: plot.addCurve(ddict["KnotsX"], ddict["KnotsY"], legend="Knots", replot=False, linestyle="", symbol="o", color="orange") plot.resetZoom() plot = self._windowDict["Signal"] if ddict["KWeight"]: if ddict["KWeight"] == 1: ylabel = "EXAFS Signal * k" else: ylabel = "EXAFS Signal * k^%d" % ddict["KWeight"] else: ylabel = "EXAFS Signal" plot.addCurve(ddict["EXAFSKValues"][idx], ddict["EXAFSNormalized"][idx], legend="Normalized EXAFS", xlabel="K", ylabel=ylabel, replace=True, replot=False) plot.addCurve(ddict["FT"]["K"], ddict["FT"]["WindowWeight"], legend="FT Window", xlabel="K", ylabel="Weight", yaxis="right", color="red", replace=False, replot=False) plot.resetZoom() plot = self._windowDict["FT"] plot.addCurve(ddict["FT"]["FTRadius"], ddict["FT"]["FTIntensity"], legend="FT Intensity", xlabel="R (Angstrom)", ylabel="Arbitrary Units", replace=True, replot=False) """ plot.addCurve(ddict["FT"]["FTRadius"], ddict["FT"]["FTReal"], legend="FT Real", xlabel="R (Angstrom)", ylabel="Arbitrary Units", color="green", replace=False, replot=False) """ plot.addCurve(ddict["FT"]["FTRadius"], ddict["FT"]["FTImaginary"], legend="FT Imaginary", xlabel="R (Angstrom)", ylabel="Arbitrary Units", color="red", replace=False, replot=False) plot.resetZoom() self.sigXASMdiAreaSignal.emit(ddict) if __name__ == "__main__": DEBUG = 1 app = qt.QApplication([]) from PyMca5.PyMcaIO import specfilewrapper as specfile from PyMca5.PyMcaDataDir import PYMCA_DATA_DIR if len(sys.argv) > 1: fileName = sys.argv[1] else: fileName = os.path.join(PYMCA_DATA_DIR, "EXAFS_Ge.dat") data = specfile.Specfile(fileName)[0].data()[-2:, :] energy = data[0, :] mu = data[1, :] if 0: w = XASWindow() w.show() w.setSpectrum(energy, mu) w.update() app.exec_() else: from PyMca5.PyMca import XASClass ownAnalyzer = XASClass.XASClass() configuration = ownAnalyzer.getConfiguration() w = XASDialog() w.setSpectrum(energy, mu) w.setConfiguration(configuration) print("SENT CONFIGURATION", configuration["Normalization"]) if w.exec_(): print("PARAMETERS = ", w.getConfiguration()) else: print("PARAMETERS = ", configuration)