#/*########################################################################## # Copyright (C) 2004-2016 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. # #############################################################################*/ __author__ = "V.A. Sole - ESRF Data Analysis" __contact__ = "sole@esrf.fr" __license__ = "MIT" __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France" import sys import os import traceback from PyMca5.PyMcaCore import EventHandler from PyMca5.PyMcaMath.fitting import Specfit from PyMca5.PyMcaGui import PyMcaQt as qt from PyMca5.PyMcaGui import PyMcaFileDialogs QTVERSION = qt.qVersion() from . import FitConfigGui from . import MultiParameters from . import FitActionsGui from . import FitStatusGui from . import QScriptOption DEBUG = 0 class SpecfitGui(qt.QWidget): sigSpecfitGuiSignal = qt.pyqtSignal(object) def __init__(self,parent = None,name = None,fl = 0, specfit = None, config = 0, status = 0, buttons = 0, eh = None): if name == None: name = "SpecfitGui" qt.QWidget.__init__(self, parent) self.setWindowTitle(name) layout= qt.QVBoxLayout(self) #layout.setAutoAdd(1) if eh == None: self.eh = EventHandler.EventHandler() else: self.eh = eh if specfit is None: self.specfit = Specfit.Specfit(eh=self.eh) else: self.specfit = specfit #initialize the default fitting functions in case #none is present if not len(self.specfit.theorylist): funsFile = "SpecfitFunctions.py" if not os.path.exists(funsFile): funsFile = os.path.join(os.path.dirname(Specfit.__file__),\ funsFile) self.specfit.importfun(funsFile) #copy specfit configure method for direct access self.configure=self.specfit.configure self.fitconfig=self.specfit.fitconfig self.setdata=self.specfit.setdata self.guiconfig=None if config: self.guiconfig = FitConfigGui.FitConfigGui(self) self.guiconfig.MCACheckBox.stateChanged[int].connect(self.mcaevent) self.guiconfig.WeightCheckBox.stateChanged[int].connect(self.weightevent) self.guiconfig.AutoFWHMCheckBox.stateChanged[int].connect(self.autofwhmevent) self.guiconfig.AutoScalingCheckBox.stateChanged[int].connect(self.autoscaleevent) self.guiconfig.ConfigureButton.clicked.connect(self.__configureGuiSlot) self.guiconfig.PrintPushButton.clicked.connect(self.printps) self.guiconfig.BkgComBox.activated[str].connect(self.bkgevent) self.guiconfig.FunComBox.activated[str].connect(self.funevent) layout.addWidget(self.guiconfig) self.guiparameters = MultiParameters.ParametersTab(self) layout.addWidget(self.guiparameters) self.guiparameters.sigMultiParametersSignal.connect(self.__forward) if config: for key in self.specfit.bkgdict.keys(): self.guiconfig.BkgComBox.addItem(str(key)) for key in self.specfit.theorylist: self.guiconfig.FunComBox.addItem(str(key)) configuration={} if specfit is not None: configuration = specfit.configure() if configuration['fittheory'] is None: self.guiconfig.FunComBox.setCurrentIndex(1) self.funevent(self.specfit.theorylist[0]) else: self.funevent(configuration['fittheory']) if configuration['fitbkg'] is None: self.guiconfig.BkgComBox.setCurrentIndex(1) self.bkgevent(list(self.specfit.bkgdict.keys())[0]) else: self.bkgevent(configuration['fitbkg']) else: self.guiconfig.BkgComBox.setCurrentIndex(1) self.guiconfig.FunComBox.setCurrentIndex(1) self.funevent(self.specfit.theorylist[0]) self.bkgevent(list(self.specfit.bkgdict.keys())[0]) configuration.update(self.configure()) if configuration['McaMode']: self.guiconfig.MCACheckBox.setChecked(1) else: self.guiconfig.MCACheckBox.setChecked(0) if configuration['WeightFlag']: self.guiconfig.WeightCheckBox.setChecked(1) else: self.guiconfig.WeightCheckBox.setChecked(0) if configuration['AutoFwhm']: self.guiconfig.AutoFWHMCheckBox.setChecked(1) else: self.guiconfig.AutoFWHMCheckBox.setChecked(0) if configuration['AutoScaling']: self.guiconfig.AutoScalingCheckBox.setChecked(1) else: self.guiconfig.AutoScalingCheckBox.setChecked(0) if status: self.guistatus = FitStatusGui.FitStatusGui(self) self.eh.register('FitStatusChanged',self.fitstatus) layout.addWidget(self.guistatus) if buttons: self.guibuttons = FitActionsGui.FitActionsGui(self) self.guibuttons.EstimateButton.clicked.connect(self.estimate) self.guibuttons.StartfitButton.clicked.connect(self.startfit) self.guibuttons.DismissButton.clicked.connect(self.dismiss) layout.addWidget(self.guibuttons) def updateGui(self,configuration=None): self.__configureGui(configuration) def _emitSignal(self, ddict): self.sigSpecfitGuiSignal.emit(ddict) def __configureGuiSlot(self): self.__configureGui() def __configureGui(self, newconfiguration=None): if self.guiconfig is not None: #get current dictionary #print "before ",self.specfit.fitconfig['fitbkg'] configuration=self.configure() #get new dictionary if newconfiguration is None: newconfiguration=self.configureGui(configuration) #update configuration configuration.update(self.configure(**newconfiguration)) #print "after =",self.specfit.fitconfig['fitbkg'] #update Gui #current function #self.funevent(self.specfit.theorylist[0]) try: i=1+self.specfit.theorylist.index(self.specfit.fitconfig['fittheory']) self.guiconfig.FunComBox.setCurrentIndex(i) self.funevent(self.specfit.fitconfig['fittheory']) except: print("Function not in list %s" %\ self.specfit.fitconfig['fittheory']) self.funevent(self.specfit.theorylist[0]) #current background try: #the list conversion is needed in python 3. i=1+list(self.specfit.bkgdict.keys()).index(self.specfit.fitconfig['fitbkg']) self.guiconfig.BkgComBox.setCurrentIndex(i) except: print("Background not in list %s" %\ self.specfit.fitconfig['fitbkg']) self.bkgevent(list(self.specfit.bkgdict.keys())[0]) #and all the rest if configuration['McaMode']: self.guiconfig.MCACheckBox.setChecked(1) else: self.guiconfig.MCACheckBox.setChecked(0) if configuration['WeightFlag']: self.guiconfig.WeightCheckBox.setChecked(1) else: self.guiconfig.WeightCheckBox.setChecked(0) if configuration['AutoFwhm']: self.guiconfig.AutoFWHMCheckBox.setChecked(1) else: self.guiconfig.AutoFWHMCheckBox.setChecked(0) if configuration['AutoScaling']: self.guiconfig.AutoScalingCheckBox.setChecked(1) else: self.guiconfig.AutoScalingCheckBox.setChecked(0) #update the Gui self.__initialparameters() def configureGui(self,oldconfiguration): #this method can be overwritten for custom #it should give back a new dictionary newconfiguration={} newconfiguration.update(oldconfiguration) if (0): #example to force a given default configuration newconfiguration['FitTheory']="Pseudo-Voigt Line" newconfiguration['AutoFwhm']=1 newconfiguration['AutoScaling']=1 #example script options like if (1): sheet1={'notetitle':'Restrains', 'fields':(["CheckField",'HeightAreaFlag','Force positive Height/Area'], ["CheckField",'PositionFlag','Force position in interval'], ["CheckField",'PosFwhmFlag','Force positive FWHM'], ["CheckField",'SameFwhmFlag','Force same FWHM'], ["CheckField",'EtaFlag','Force Eta between 0 and 1'], ["CheckField",'NoConstrainsFlag','Ignore Restrains'])} sheet2={'notetitle':'Search', 'fields':(["EntryField",'FwhmPoints', 'Fwhm Points: '], ["EntryField",'Sensitivity','Sensitivity: '], ["EntryField",'Yscaling', 'Y Factor : '], ["CheckField",'ForcePeakPresence', 'Force peak presence '])} w=QScriptOption.QScriptOption(self,name='Fit Configuration', sheets=(sheet1,sheet2), default=oldconfiguration) w.show() w.exec_() if w.result(): newconfiguration.update(w.output) #we do not need the dialog any longer del w newconfiguration['FwhmPoints']=int(float(newconfiguration['FwhmPoints'])) newconfiguration['Sensitivity']=float(newconfiguration['Sensitivity']) newconfiguration['Yscaling']=float(newconfiguration['Yscaling']) return newconfiguration def estimate(self): if self.specfit.fitconfig['McaMode']: try: mcaresult=self.specfit.mcafit() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setWindowTitle("Error on mcafit") msg.setInformativeText(str(sys.exc_info()[1])) msg.setDetailedText(traceback.format_exc()) msg.exec_() ddict={} ddict['event'] = 'FitError' self._emitSignal(ddict) if DEBUG: raise return self.guiparameters.fillfrommca(mcaresult) ddict={} ddict['event'] = 'McaFitFinished' ddict['data'] = mcaresult self._emitSignal(ddict) #self.guiparameters.removeallviews(keep='Region 1') else: try: if self.specfit.theorydict[self.specfit.fitconfig['fittheory']][2] is not None: self.specfit.estimate() else: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Information) text = "Function does not define a way to estimate\n" text += "the initial parameters. Please, fill them\n" text += "yourself in the table and press Start Fit\n" msg.setText(text) msg.setWindowTitle('SpecfitGui Message') msg.exec_() return except: if DEBUG: raise msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error on estimate: %s" % sys.exc_info()[1]) msg.exec_() return self.guiparameters.fillfromfit(self.specfit.paramlist,current='Fit') self.guiparameters.removeallviews(keep='Fit') ddict={} ddict['event'] = 'EstimateFinished' ddict['data'] = self.specfit.paramlist self._emitSignal(ddict) return def __forward(self,ddict): self._emitSignal(ddict) def startfit(self): if self.specfit.fitconfig['McaMode']: try: mcaresult=self.specfit.mcafit() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error on mcafit: %s" % sys.exc_info()[1]) msg.exec_() if DEBUG: raise return self.guiparameters.fillfrommca(mcaresult) ddict={} ddict['event'] = 'McaFitFinished' ddict['data'] = mcaresult self._emitSignal(ddict) #self.guiparameters.removeview(view='Fit') else: #for param in self.specfit.paramlist: # print param['name'],param['group'],param['estimation'] self.specfit.paramlist=self.guiparameters.fillfitfromtable() if DEBUG: for param in self.specfit.paramlist: print(param['name'],param['group'],param['estimation']) print("TESTING") self.specfit.startfit() try: self.specfit.startfit() except: msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Error on Fit") msg.exec_() if DEBUG: raise return self.guiparameters.fillfromfit(self.specfit.paramlist,current='Fit') self.guiparameters.removeallviews(keep='Fit') ddict={} ddict['event'] = 'FitFinished' ddict['data'] = self.specfit.paramlist self._emitSignal(ddict) return def printps(self,**kw): text = self.guiparameters.gettext(**kw) if __name__ == "__main__": self.__printps(text) else: ddict={} ddict['event'] = 'print' ddict['text'] = text self._emitSignal(ddict) return def __printps(self, text): msg = qt.QMessageBox(self) msg.setIcon(qt.QMessageBox.Critical) msg.setText("Sorry, Qt4 printing not implemented yet") msg.exec_() def mcaevent(self,item): if int(item): self.configure(McaMode=1) mode = 1 else: self.configure(McaMode=0) mode = 0 self.__initialparameters() ddict={} ddict['event'] = 'McaModeChanged' ddict['data'] = mode self._emitSignal(ddict) return def weightevent(self,item): if int(item): self.configure(WeightFlag=1) else: self.configure(WeightFlag=0) return def autofwhmevent(self,item): if int(item): self.configure(AutoFwhm=1) else: self.configure(AutoFwhm=0) return def autoscaleevent(self,item): if int(item): self.configure(AutoScaling=1) else: self.configure(AutoScaling=0) return def bkgevent(self,item): item=str(item) if item in self.specfit.bkgdict.keys(): self.specfit.setbackground(item) else: qt.QMessageBox.information(self, "Info", "Function not implemented") return i=1+self.specfit.bkgdict.keys().index(self.specfit.fitconfig['fitbkg']) self.guiconfig.BkgComBox.setCurrentIndex(i) self.__initialparameters() return def funevent(self,item): item=str(item) if item in self.specfit.theorylist: self.specfit.settheory(item) else: filelist = PyMcaFileDialogs.getFileList(self, message="Select python module with your function(s)", filetypelist=["Python Files (*.py)", "All Files (*)"], mode="OPEN", single=True, getfilter=False) if not len(filelist): functionsfile = "" else: functionsfile = filelist[0] if len(functionsfile): try: if self.specfit.importfun(functionsfile): qt.QMessageBox.critical(self, "ERROR", "Function not imported") return else: #empty the ComboBox n=self.guiconfig.FunComBox.count() while(self.guiconfig.FunComBox.count()>1): self.guiconfig.FunComBox.removeItem(1) #and fill it again for key in self.specfit.theorylist: if QTVERSION < '4.0.0': self.guiconfig.FunComBox.insertItem(str(key)) else: self.guiconfig.FunComBox.addItem(str(key)) except: qt.QMessageBox.critical(self, "ERROR", "Function not imported") i=1+self.specfit.theorylist.index(self.specfit.fitconfig['fittheory']) if QTVERSION < '4.0.0': self.guiconfig.FunComBox.setCurrentItem(i) else: self.guiconfig.FunComBox.setCurrentIndex(i) self.__initialparameters() return def __initialparameters(self): self.specfit.final_theory=[] self.specfit.paramlist=[] for pname in self.specfit.bkgdict[self.specfit.fitconfig['fitbkg']][1]: self.specfit.final_theory.append(pname) self.specfit.paramlist.append({'name':pname, 'estimation':0, 'group':0, 'code':'FREE', 'cons1':0, 'cons2':0, 'fitresult':0.0, 'sigma':0.0, 'xmin':None, 'xmax':None}) if self.specfit.fitconfig['fittheory'] is not None: for pname in self.specfit.theorydict[self.specfit.fitconfig['fittheory']][1]: self.specfit.final_theory.append(pname+"1") self.specfit.paramlist.append({'name':pname+"1", 'estimation':0, 'group':1, 'code':'FREE', 'cons1':0, 'cons2':0, 'fitresult':0.0, 'sigma':0.0, 'xmin':None, 'xmax':None}) if self.specfit.fitconfig['McaMode']: self.guiparameters.fillfromfit(self.specfit.paramlist,current='Region 1') self.guiparameters.removeallviews(keep='Region 1') else: self.guiparameters.fillfromfit(self.specfit.paramlist,current='Fit') self.guiparameters.removeallviews(keep='Fit') return def fitstatus(self,data): if 'chisq' in data: if data['chisq'] is None: self.guistatus.ChisqLine.setText(" ") else: chisq=data['chisq'] self.guistatus.ChisqLine.setText("%6.2f" % chisq) if 'status' in data: status=data['status'] self.guistatus.StatusLine.setText(str(status)) return def dismiss(self): self.close() return if __name__ == "__main__": import numpy from PyMca5 import SpecfitFunctions a=SpecfitFunctions.SpecfitFunctions() x = numpy.arange(2000).astype(numpy.float) p1 = numpy.array([1500,100.,30.0]) p2 = numpy.array([1500,300.,30.0]) p3 = numpy.array([1500,500.,30.0]) p4 = numpy.array([1500,700.,30.0]) p5 = numpy.array([1500,900.,30.0]) p6 = numpy.array([1500,1100.,30.0]) p7 = numpy.array([1500,1300.,30.0]) p8 = numpy.array([1500,1500.,30.0]) p9 = numpy.array([1500,1700.,30.0]) p10 = numpy.array([1500,1900.,30.0]) y = a.gauss(p1,x)+1 y = y + a.gauss(p2,x) y = y + a.gauss(p3,x) y = y + a.gauss(p4,x) y = y + a.gauss(p5,x) #y = y + a.gauss(p6,x) #y = y + a.gauss(p7,x) #y = y + a.gauss(p8,x) #y = y + a.gauss(p9,x) #y = y + a.gauss(p10,x) y=y/1000.0 a = qt.QApplication(sys.argv) a.lastWindowClosed.connect(a.quit) w = SpecfitGui(config=1, status=1, buttons=1) w.setdata(x=x,y=y) w.show() a.exec_()