#/*########################################################################## # Copyright (C) 2004-2014 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 from PyMca5.PyMcaGui import PyMcaQt as qt if not hasattr(qt, "QString"): QString = str else: QString = qt.QString if not hasattr(qt, "QStringList"): QStringList = list else: QStringList = qt.QStringList QTVERSION = qt.qVersion() QTable = qt.QTableWidget class QComboTableItem(qt.QComboBox): sigCellChanged = qt.pyqtSignal(int, int) def __init__(self, parent=None, row=None, col=None): self._row = row self._col = col qt.QComboBox.__init__(self, parent) self.activated[int].connect(self._cellChanged) def _cellChanged(self, idx): if DEBUG: print("cell changed", idx) self.sigCellChanged.emit(self._row, self._col) class QCheckBoxItem(qt.QCheckBox): sigCellChanged = qt.pyqtSignal(int, int) def __init__(self, parent=None, row=None, col=None): self._row = row self._col = col qt.QCheckBox.__init__(self, parent) self.clicked.connect(self._cellChanged) def _cellChanged(self): self.sigCellChanged.emit(self._row, self._col) DEBUG = 0 class Parameters(QTable): def __init__(self, parent=None, allowBackgroundAdd=False, **kw): QTable.__init__(self, parent) self._allowBackgroundAdd = allowBackgroundAdd self.setRowCount(1) self.setColumnCount(1) self.labels = ['Parameter', 'Estimation', 'Fit Value', 'Sigma', 'Constraints', 'Min/Parame', 'Max/Factor/Delta/'] if DEBUG: self.code_options = ["FREE", "POSITIVE", "QUOTED", "FIXED", "FACTOR", "DELTA", "SUM", "IGNORE", "ADD", "SHOW"] else: self.code_options = ["FREE", "POSITIVE", "QUOTED", "FIXED", "FACTOR", "DELTA", "SUM", "IGNORE", "ADD"] self.__configuring = False self.setColumnCount(len(self.labels)) i = 0 if 'labels' in kw: for label in kw['labels']: item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(self.labels[i], qt.QTableWidgetItem.Type) self.setHorizontalHeaderItem(i, item) item.setText(self.labels[i]) i += 1 else: for label in self.labels: item = self.horizontalHeaderItem(i) if item is None: item = qt.QTableWidgetItem(self.labels[i], qt.QTableWidgetItem.Type) self.setHorizontalHeaderItem(i, item) item.setText(self.labels[i]) i += 1 self.resizeColumnToContents(self.labels.index('Parameter')) self.resizeColumnToContents(1) self.resizeColumnToContents(3) self.resizeColumnToContents(len(self.labels) - 1) self.resizeColumnToContents(len(self.labels) - 2) self.parameters = {} self.paramlist = [] if 'paramlist' in kw: self.paramlist = kw['paramlist'] self.build() self.cellChanged[int,int].connect(self.myslot) def build(self): line = 1 oldlist = list(self.paramlist) self.paramlist = [] for param in oldlist: self.newparameterline(param, line) line += 1 def newparameterline(self, param, line): #get current number of lines nlines = self.rowCount() self.__configuring = True if (line > nlines): self.setRowCount(line) linew = line - 1 self.parameters[param] = {'line': linew, 'fields': ['name', 'estimation', 'fitresult', 'sigma', 'code', 'val1', 'val2'], 'estimation': QString('0'), 'fitresult': QString(), 'sigma': QString(), 'code': QString('FREE'), 'val1': QString(), 'val2': QString(), 'cons1': 0, 'cons2': 0, 'vmin': QString('0'), 'vmax': QString('1'), 'relatedto': QString(), 'factor': QString('1.0'), 'delta': QString('0.0'), 'sum': QString('0.0'), 'group': QString(), 'name': QString(param), 'xmin': None, 'xmax': None} self.paramlist.append(param) #Aleixandre request:self.setText(linew,0,QString(param)) self.setReadWrite(param, 'estimation') self.setReadOnly(param, ['name', 'fitresult', 'sigma', 'val1', 'val2']) #the code a = QStringList() for option in self.code_options: a.append(option) cellWidget = self.cellWidget(linew, self.parameters[param]['fields'].index('code')) if cellWidget is None: col = self.parameters[param]['fields'].index('code') cellWidget = QComboTableItem(self, row=linew, col=col) cellWidget.addItems(a) self.setCellWidget(linew, col, cellWidget) cellWidget.sigCellChanged[int, int].connect(self.myslot) self.parameters[param]['code_item'] = cellWidget self.parameters[param]['relatedto_item'] = None self.__configuring = False def fillTableFromFit(self, fitparameterslist): return self.fillfromfit(fitparameterslist) def fillfromfit(self, fitparameterslist): self.setRowCount(len(fitparameterslist)) self.parameters = {} self.paramlist = [] line = 1 for param in fitparameterslist: self.newparameterline(param['name'], line) line += 1 for param in fitparameterslist: name = param['name'] code = str(param['code']) if code not in self.code_options: code = self.code_options[int(code)] val1 = param['cons1'] val2 = param['cons2'] estimation = param['estimation'] group = param['group'] sigma = param['sigma'] fitresult = param['fitresult'] if 'xmin' in param: xmin = param['xmin'] else: xmin = None if 'xmax' in param: xmax = param['xmax'] else: xmax = None self.configure(name=name, code=code, val1=val1, val2=val2, estimation=estimation, fitresult=fitresult, sigma=sigma, group=group, xmin=xmin, xmax=xmax) def fillFitFromTable(self): return self.fillfitfromtable() def getConfiguration(self): ddict = {} ddict['parameters'] = self.fillFitFromTable() return ddict def setConfiguration(self, ddict): self.fillTableFromFit(ddict['parameters']) def fillfitfromtable(self): fitparameterslist = [] for param in self.paramlist: fitparam = {} name = param estimation, [code, cons1, cons2] = self.cget(name) buf = str(self.parameters[param]['fitresult']) xmin = self.parameters[param]['xmin'] xmax = self.parameters[param]['xmax'] if len(buf): fitresult = float(buf) else: fitresult = 0.0 buf = str(self.parameters[param]['sigma']) if len(buf): sigma = float(buf) else: sigma = 0.0 buf = str(self.parameters[param]['group']) if len(buf): group = float(buf) else: group = 0 fitparam['name'] = name fitparam['estimation'] = estimation fitparam['fitresult'] = fitresult fitparam['sigma'] = sigma fitparam['group'] = group fitparam['code'] = code fitparam['cons1'] = cons1 fitparam['cons2'] = cons2 fitparam['xmin'] = xmin fitparam['xmax'] = xmax fitparameterslist.append(fitparam) return fitparameterslist def myslot(self, row, col): if DEBUG: print("Passing by myslot(%d, %d)" % (row, col)) print("current(%d, %d)" % (self.currentRow(), self.currentColumn())) if (col != 4) and (col != -1): if row != self.currentRow(): return if col != self.currentColumn(): return if self.__configuring: return param = self.paramlist[row] field = self.parameters[param]['fields'][col] oldvalue = QString(self.parameters[param][field]) if col != 4: item = self.item(row, col) if item is not None: newvalue = item.text() else: newvalue = QString() else: #this is the combobox widget = self.cellWidget(row, col) newvalue = widget.currentText() if DEBUG: print("old value = ", oldvalue) print("new value = ", newvalue) if self.validate(param, field, oldvalue, newvalue): if DEBUG: print("Change is valid") exec("self.configure(name=param,%s=newvalue)" % field) else: if DEBUG: print("Change is not valid") print("oldvalue ", oldvalue) if field == 'code': index = self.code_options.index(oldvalue) self.__configuring = True try: self.parameters[param]['code_item'].setCurrentIndex(index) finally: self.__configuring = False else: exec("self.configure(name=param,%s=oldvalue)" % field) def validate(self, param, field, oldvalue, newvalue): if field == 'code': pass return self.setcodevalue(param, field, oldvalue, newvalue) if ((str(self.parameters[param]['code']) == 'DELTA') or\ (str(self.parameters[param]['code']) == 'FACTOR') or\ (str(self.parameters[param]['code']) == 'SUM')) and \ (field == 'val1'): best, candidates = self.getrelatedcandidates(param) if str(newvalue) in candidates: return 1 else: return 0 else: try: float(str(newvalue)) except: return 0 return 1 def setcodevalue(self, workparam, field, oldvalue, newvalue): if str(newvalue) == 'FREE': self.configure(name=workparam, code=newvalue) #, #cons1=0, #cons2=0, #val1='', #val2='') if str(oldvalue) == 'IGNORE': self.freerestofgroup(workparam) return 1 elif str(newvalue) == 'POSITIVE': self.configure(name=workparam, code=newvalue) #, #cons1=0, #cons2=0, #val1='', #val2='') if str(oldvalue) == 'IGNORE': self.freerestofgroup(workparam) return 1 elif str(newvalue) == 'QUOTED': #I have to get the limits self.configure(name=workparam, code=newvalue) #, #cons1=self.parameters[workparam]['vmin'], #cons2=self.parameters[workparam]['vmax']) #, #val1=self.parameters[workparam]['vmin'], #val2=self.parameters[workparam]['vmax']) if str(oldvalue) == 'IGNORE': self.freerestofgroup(workparam) return 1 elif str(newvalue) == 'FIXED': self.configure(name=workparam, code=newvalue) #, #cons1=0, #cons2=0, #val1='', #val2='') if str(oldvalue) == 'IGNORE': self.freerestofgroup(workparam) return 1 elif str(newvalue) == 'FACTOR': #I should check here that some parameter is set best, candidates = self.getrelatedcandidates(workparam) if len(candidates) == 0: return 0 self.configure(name=workparam, code=newvalue, relatedto=best) #, #cons1=0, #cons2=0, #val1='', #val2='') if str(oldvalue) == 'IGNORE': self.freerestofgroup(workparam) return 1 elif str(newvalue) == 'DELTA': #I should check here that some parameter is set best, candidates = self.getrelatedcandidates(workparam) if len(candidates) == 0: return 0 self.configure(name=workparam, code=newvalue, relatedto=best) #, #cons1=0, #cons2=0, #val1='', #val2='') if str(oldvalue) == 'IGNORE': self.freerestofgroup(workparam) return 1 elif str(newvalue) == 'SUM': #I should check here that some parameter is set best, candidates = self.getrelatedcandidates(workparam) if len(candidates) == 0: return 0 self.configure(name=workparam, code=newvalue, relatedto=best) #, #cons1=0, #cons2=0, #val1='', #val2='') if str(oldvalue) == 'IGNORE': self.freerestofgroup(workparam) return 1 elif str(newvalue) == 'IGNORE': # I should check if the group can be ignored # for the time being I just fix all of them to ignore group = int(float(str(self.parameters[workparam]['group']))) candidates = [] for param in self.parameters.keys(): if group == int(float(str(self.parameters[param]['group']))): candidates.append(param) #print candidates #I should check here if there is any relation to them for param in candidates: self.configure(name=param, code=newvalue) #, #cons1=0, #cons2=0, #val1='', #val2='') return 1 elif str(newvalue) == 'ADD': group = int(float(str(self.parameters[workparam]['group']))) if group == 0: if not self._allowBackgroundAdd: #One cannot add a background group return 0 i = 0 for param in self.paramlist: if i <= int(float(str(self.parameters[param]['group']))): i += 1 if (group == 0) and (i == 1): i += 1 self.addgroup(i, group) return 0 elif str(newvalue) == 'SHOW': print(self.cget(workparam)) return 0 else: print("None of the others!") def addgroup(self, newg, gtype): if DEBUG: print("addgroup called") print("newg = ", newg, "gtype = ", gtype) line = 0 newparam = [] oldparamlist = list(self.paramlist) for param in oldparamlist: line += 1 paramgroup = int(float(str(self.parameters[param]['group']))) if paramgroup == gtype: #Try to construct an appropriate name #I have to remove any possible trailing number #and append the group index xmin = self.parameters[param]['xmin'] xmax = self.parameters[param]['xmax'] j = len(param) - 1 while ('0' < param[j]) & (param[j] < '9'): j -= 1 if j == -1: break if j >= 0: newparam.append(param[0:j + 1] + "%d" % newg) else: newparam.append("%d" % newg) for param in newparam: line += 1 self.newparameterline(param, line) for param in newparam: self.configure(name=param, group=newg, xmin=xmin, xmax=xmax) def freerestofgroup(self, workparam): if workparam in self.parameters.keys(): group = int(float(str(self.parameters[workparam]['group']))) for param in self.parameters.keys(): if param != workparam: if group == int(float(str(self.parameters[param]['group']))): self.configure(name=param, code='FREE', cons1=0, cons2=0, val1='', val2='') def getrelatedcandidates(self, workparam): best = None candidates = [] for param in self.paramlist: if param != workparam: if str(self.parameters[param]['code']) != 'IGNORE' and \ str(self.parameters[param]['code']) != 'FACTOR' and \ str(self.parameters[param]['code']) != 'DELTA' and \ str(self.parameters[param]['code']) != 'SUM': candidates.append(param) #Now get the best from the list if candidates == None: return best, candidates #take the previous one if possible if str(self.parameters[workparam]['relatedto']) in candidates: best = str(self.parameters[workparam]['relatedto']) return best, candidates #take the first with similar name for param in candidates: j = len(param) - 1 while ('0' <= param[j]) & (param[j] < '9'): j -= 1 if j == -1: break if j >= 0: try: pos = workparam.index(param[0:j + 1]) if pos == 0: best = param return best, candidates except: pass #take the first return candidates[0], candidates def setReadOnly(self, parameter, fields): if DEBUG: print("parameter ", parameter) print("fields = ", fields) print("asked to be read only") if QTVERSION < '4.0.0': self.setfield(parameter, fields, qttable.QTableItem.Never) else: editflags = qt.Qt.ItemIsSelectable | qt.Qt.ItemIsEnabled self.setfield(parameter, fields, editflags) def setReadWrite(self, parameter, fields): if DEBUG: print("parameter ", parameter) print("fields = ", fields) print("asked to be read write") if QTVERSION < '4.0.0': self.setfield(parameter, fields, qttable.QTableItem.OnTyping) else: editflags = qt.Qt.ItemIsSelectable |\ qt.Qt.ItemIsEnabled |\ qt.Qt.ItemIsEditable self.setfield(parameter, fields, editflags) def setfield(self, parameter, fields, EditType): if DEBUG: print("setfield. parameter =", parameter) print("fields = ", fields) if isinstance(parameter, list) or \ isinstance(parameter, tuple): paramlist = parameter else: paramlist = [parameter] if isinstance(fields, list) or \ isinstance(fields, tuple): fieldlist = fields else: fieldlist = [fields] _oldvalue = self.__configuring self.__configuring = True for param in paramlist: if param in self.paramlist: try: row = self.paramlist.index(param) except ValueError: row = -1 if row >= 0: for field in fieldlist: if field in self.parameters[param]['fields']: col = self.parameters[param]['fields'].index(field) if field != 'code': key = field + "_item" if QTVERSION < '4.0.0': self.parameters[param][key] = qttable.QTableItem(self, EditType, self.parameters[param][field]) self.setItem(row, col, self.parameters[param][key]) else: item = self.item(row, col) if item is None: item = qt.QTableWidgetItem() item.setText(self.parameters[param][field]) self.setItem(row, col, item) else: item.setText(self.parameters[param][field]) self.parameters[param][key] = item item.setFlags(EditType) self.__configuring = _oldvalue def configure(self, *vars, **kw): if DEBUG: print("configure called with **kw = ", kw) name = None error = 0 if 'name' in kw: name = kw['name'] else: return 1 if name in self.parameters: for key in kw.keys(): if key is not 'name': if key in self.parameters[name]['fields']: oldvalue = self.parameters[name][key] if key is 'code': newvalue = QString(str(kw[key])) else: if len(str(kw[key])): keyDone = False if key == "val1": if str(self.parameters[name]['code']) in\ ['DELTA', 'FACTOR', 'SUM']: newvalue = str(kw[key]) keyDone = True if not keyDone: newvalue = float(str(kw[key])) if key is 'sigma': newvalue = "%6.3g" % newvalue else: newvalue = "%8g" % newvalue else: newvalue = "" newvalue = QString(newvalue) #avoid endless recursivity if key is not 'code': if self.validate(name, key, oldvalue, newvalue): self.parameters[name][key] = newvalue else: self.parameters[name][key] = oldvalue error = 1 elif key in self.parameters[name].keys(): newvalue = QString(str(kw[key])) self.parameters[name][key] = newvalue if DEBUG: print("error = ", error) if 'code' in kw.keys(): newvalue = QString(kw['code']) self.parameters[name]['code'] = newvalue if QTVERSION < '4.0.0': self.parameters[name]['code_item'].setCurrentItem(newvalue) else: for i in range(self.parameters[name]['code_item'].count()): if str(newvalue) == str(self.parameters[name]['code_item'].itemText(i)): self.parameters[name]['code_item'].setCurrentIndex(i) break if str(self.parameters[name]['code']) == 'QUOTED': if 'val1' in kw.keys(): self.parameters[name]['vmin'] = self.parameters[name]['val1'] if 'val2' in kw.keys(): self.parameters[name]['vmax'] = self.parameters[name]['val2'] if str(self.parameters[name]['code']) == 'DELTA': if 'val1'in kw.keys(): if kw['val1'] in self.paramlist: self.parameters[name]['relatedto'] = kw['val1'] else: self.parameters[name]['relatedto'] =\ self.paramlist[int(float(str(kw['val1'])))] if 'val2'in kw.keys(): self.parameters[name]['delta'] = self.parameters[name]['val2'] if str(self.parameters[name]['code']) == 'SUM': if 'val1' in kw.keys(): if kw['val1'] in self.paramlist: self.parameters[name]['relatedto'] = kw['val1'] else: self.parameters[name]['relatedto'] =\ self.paramlist[int(float(str(kw['val1'])))] if 'val2' in kw.keys(): self.parameters[name]['sum'] = self.parameters[name]['val2'] if str(self.parameters[name]['code']) == 'FACTOR': if 'val1'in kw.keys(): if kw['val1'] in self.paramlist: self.parameters[name]['relatedto'] = kw['val1'] else: self.parameters[name]['relatedto'] =\ self.paramlist[int(float(str(kw['val1'])))] if 'val2'in kw.keys(): self.parameters[name]['factor'] = self.parameters[name]['val2'] else: #Update the proper parameter in case of change in val1 and val2 if str(self.parameters[name]['code']) == 'QUOTED': self.parameters[name]['vmin'] = self.parameters[name]['val1'] self.parameters[name]['vmax'] = self.parameters[name]['val2'] #print "vmin =",str(self.parameters[name]['vmin']) if str(self.parameters[name]['code']) == 'DELTA': self.parameters[name]['relatedto'] = self.parameters[name]['val1'] self.parameters[name]['delta'] = self.parameters[name]['val2'] if str(self.parameters[name]['code']) == 'SUM': self.parameters[name]['relatedto'] = self.parameters[name]['val1'] self.parameters[name]['sum'] = self.parameters[name]['val2'] if str(self.parameters[name]['code']) == 'FACTOR': self.parameters[name]['relatedto'] = self.parameters[name]['val1'] self.parameters[name]['factor'] = self.parameters[name]['val2'] #Update val1 and val2 according to the parameters #and Update the table if str(self.parameters[name]['code']) == 'FREE' or \ str(self.parameters[name]['code']) == 'POSITIVE' or \ str(self.parameters[name]['code']) == 'IGNORE' or\ str(self.parameters[name]['code']) == 'FIXED': self.parameters[name]['val1'] = QString() self.parameters[name]['val2'] = QString() self.parameters[name]['cons1'] = 0 self.parameters[name]['cons2'] = 0 self.setReadWrite(name, 'estimation') self.setReadOnly(name, ['fitresult', 'sigma', 'val1', 'val2']) elif str(self.parameters[name]['code']) == 'QUOTED': self.parameters[name]['val1'] = self.parameters[name]['vmin'] self.parameters[name]['val2'] = self.parameters[name]['vmax'] try: self.parameters[name]['cons1'] =\ float(str(self.parameters[name]['val1'])) except: self.parameters[name]['cons1'] = 0 try: self.parameters[name]['cons2'] =\ float(str(self.parameters[name]['val2'])) except: self.parameters[name]['cons2'] = 0 if self.parameters[name]['cons1'] > self.parameters[name]['cons2']: buf = self.parameters[name]['cons1'] self.parameters[name]['cons1'] = self.parameters[name]['cons2'] self.parameters[name]['cons2'] = buf self.setReadWrite(name, ['estimation', 'val1', 'val2']) self.setReadOnly(name, ['fitresult', 'sigma']) elif str(self.parameters[name]['code']) == 'FACTOR': self.parameters[name]['val1'] = self.parameters[name]['relatedto'] self.parameters[name]['val2'] = self.parameters[name]['factor'] self.parameters[name]['cons1'] =\ self.paramlist.index(str(self.parameters[name]['val1'])) try: self.parameters[name]['cons2'] =\ float(str(self.parameters[name]['val2'])) except: error = 1 print("Forcing factor to 1") self.parameters[name]['cons2'] = 1.0 self.setReadWrite(name, ['estimation', 'val1', 'val2']) self.setReadOnly(name, ['fitresult', 'sigma']) elif str(self.parameters[name]['code']) == 'DELTA': self.parameters[name]['val1'] = self.parameters[name]['relatedto'] self.parameters[name]['val2'] = self.parameters[name]['delta'] self.parameters[name]['cons1'] =\ self.paramlist.index(str(self.parameters[name]['val1'])) try: self.parameters[name]['cons2'] =\ float(str(self.parameters[name]['val2'])) except: error = 1 print("Forcing delta to 0") self.parameters[name]['cons2'] = 0.0 self.setReadWrite(name, ['estimation', 'val1', 'val2']) self.setReadOnly(name, ['fitresult', 'sigma']) elif str(self.parameters[name]['code']) == 'SUM': self.parameters[name]['val1'] = self.parameters[name]['relatedto'] self.parameters[name]['val2'] = self.parameters[name]['sum'] self.parameters[name]['cons1'] =\ self.paramlist.index(str(self.parameters[name]['val1'])) try: self.parameters[name]['cons2'] =\ float(str(self.parameters[name]['val2'])) except: error = 1 print("Forcing sum to 0") self.parameters[name]['cons2'] = 0.0 self.setReadWrite(name, ['estimation', 'val1', 'val2']) self.setReadOnly(name, ['fitresult', 'sigma']) else: self.setReadWrite(name, ['estimation', 'val1', 'val2']) self.setReadOnly(name, ['fitresult', 'sigma']) return error def cget(self, param): """ Return tuple estimation,constraints where estimation is the value in the estimate field and constraints are the relevant constraints according to the active code """ estimation = None constraints = None if param in self.parameters.keys(): buf = str(self.parameters[param]['estimation']) if len(buf): estimation = float(buf) else: estimation = 0 self.parameters[param]['code_item'] if str(self.parameters[param]['code']) in self.code_options: code = self.code_options.index(str(self.parameters[param]['code'])) else: code = str(self.parameters[param]['code']) cons1 = self.parameters[param]['cons1'] cons2 = self.parameters[param]['cons2'] constraints = [code, cons1, cons2] return estimation, constraints def main(args): from PyMca5.PyMca import specfile from PyMca5.PyMca import specfilewrapper as specfile from PyMca5.PyMca import Specfit from PyMca5 import PyMcaDataDir import numpy import os app = qt.QApplication(args) tab = Parameters(labels=['Parameter', 'Estimation', 'Fit Value', 'Sigma', 'Restrains', 'Min/Parame', 'Max/Factor/Delta/'], paramlist=['Height', 'Position', 'FWHM']) tab.showGrid() tab.configure(name='Height', estimation='1234', group=0) tab.configure(name='Position', code='FIXED', group=1) tab.configure(name='FWHM', group=1) sf=specfile.Specfile(os.path.join(PyMcaDataDir.PYMCA_DATA_DIR, "XRFSpectrum.mca")) scan=sf.select('2.1') mcadata=scan.mca(1) y=numpy.array(mcadata) #x=numpy.arange(len(y)) x=numpy.arange(len(y))*0.0502883-0.492773 fit=Specfit.Specfit() fit.setdata(x=x,y=y) fit.importfun(os.path.join(os.path.dirname(Specfit.__file__), "SpecfitFunctions.py")) fit.settheory('Hypermet') fit.configure(Yscaling=1., WeightFlag=1, PosFwhmFlag=1, HeightAreaFlag=1, FwhmPoints=16, PositionFlag=1, HypermetTails=1) fit.setbackground('Linear') fit.estimate() fit.startfit() tab.fillfromfit(fit.paramlist) tab.show() app.lastWindowClosed.connect(app.quit) app.exec_() if __name__ == "__main__": main(sys.argv)