/usr/lib/python2.7/dist-packages/PyMca/XRFMC/XRFMCPyMca.py is in pymca 4.7.1+dfsg-2.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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# Copyright (C) 2013 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.
#
# This toolkit is free software; you can redistribute it and/or modify it
# under the terms of the GNU General Public License as published by the Free
# Software Foundation; either version 2 of the License, or (at your option)
# any later version.
#
# PyMca is distributed in the hope that it will be useful, but WITHOUT ANY
# WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
# FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
# details.
#
# You should have received a copy of the GNU General Public License along with
# PyMca; if not, write to the Free Software Foundation, Inc.,
# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
#
# PyMca follows the dual licensing model of Riverbank's PyQt and cannot be
# used as a free plugin for a non-free program.
#
# Please contact the ESRF industrial unit (industry@esrf.fr) if this license
# is a problem for you.
#############################################################################*/
__author__ = "V.A. Sole - ESRF Data Analysis"
import sys
import os
import time
import traceback
from PyMca import PyMcaQt as qt
from PyMca import PyMcaDirs as xrfmc_dirs
from PyMca import ConfigDict
from PyMca import SubprocessLogWidget
from PyMca.XRFMC import XRFMCHelper
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):
def __init__(self, parent=None, title='File Input', nfiles=1):
qt.QGroupBox.__init__(self, parent)
self.mainLayout = qt.QGridLayout(self)
self.mainLayout.setMargin(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.connect(self.__listButton,qt.SIGNAL('clicked()'),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, 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 set of files",
wdir,
filetypes,
None)
if len(filelist):
filelist = [filelist]
else:
filelist = qt.QFileDialog.getOpenFileNames(self,
"Open a set of files",
wdir,
filetypes,
None)
if len(filelist):
filelist = map(str, 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.emit(qt.SIGNAL('fileListUpdated'), 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)
filedialog.setFileMode(filedialog.ExistingFiles)
if sys.platform == 'darwin':
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:
filelist = qt.QFileDialog.getOpenFileName(self,
"Selec xmimsim-pymca executable",
wdir,
filetypes,
None)
if len(filelist):
filelist = [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:
xrfmc_dirs.inputDir = oldInputDir
if oldOutputDir is not None:
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.setMargin(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 ddict0.has_key('xrfmc'):
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.setMargin(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 ddict0.has_key('xrfmc'):
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.connect(self.fitFileWidget,
qt.SIGNAL('fileListUpdated'),
self.fitFileChanged)
#self.connect(self.iniFileWidget,
# qt.SIGNAL('fileListUpdated'),
# self.configurationFileChanged)
self.connect(self.actions.startButton,
qt.SIGNAL("clicked()"), self.start)
self.connect(self.actions.dismissButton,
qt.SIGNAL("clicked()"), self.close)
self.connect(self.logWidget,
qt.SIGNAL('SubprocessLogWidgetSignal'),
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 self.fitConfiguration.has_key('xrfmc'):
if self.fitConfiguration['xrfmc'].has_key('setup'):
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 configuration['xrfmc'].has_key('setup'):
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([])
qt.QObject.connect(app, qt.SIGNAL('lastWindowClosed()'),
app, qt.SLOT('quit()'))
w = XRFMCPyMca()
w.show()
app.exec_()
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