def createEditor(self, parent, option, index):
editor = QLineEdit(parent)
rx = "[\-_A-Za-z0-9]{1," + str(LABEL_LENGTH_MAX) + "}"
self.regExp = QRegExp(rx)
v = RegExpValidator(editor, self.regExp)
editor.setValidator(v)
return editor
def createEditor(self, parent, option, index):
editor = QLineEdit(parent)
validator = RegExpValidator(editor, QRegExp("[ -~]*"))
editor.setValidator(validator)
# Autocompletion for selection criteria!
comp_list = ['all[]']
comp_list += [
'plane[a, b, c, d, epsilon]', 'plane[a, b, c, d, inside]',
'plane[a, b, c, d, outside]',
'plane[n_x, n_y, n_z, x0, y0, z0, epsilon]',
'plane[n_x, n_y, n_z, x0, y0, z0, inside]',
'plane[n_x, n_y, n_z, x0, y0, z0, outside]',
'box[xmin, ymin, zmin, xmax, ymax, zmax]',
'box[x0, y0, z0, dx1, dy1, dz1, dx2, dy2, dz2, dx3, dy3, dz3]',
'cylinder[x0, y0, z0, x1, y1, z1, radius]',
'sphere[x_c, y_c, z_c, radius]'
]
completer = QCompleter()
editor.setCompleter(completer)
model = QStringListModel()
completer.setModel(model)
model.setStringList(comp_list)
return editor
def createEditor(self, parent, option, index):
editor = QLineEdit(parent)
self.old_pname = ""
#editor.installEventFilter(self)
rx = "[_a-zA-Z][_A-Za-z0-9]{1," + str(LABEL_LENGTH_MAX - 1) + "}"
self.regExp = QRegExp(rx)
v = RegExpValidator(editor, self.regExp)
editor.setValidator(v)
return editor
def createEditor(self, parent, option, index):
editor = QLineEdit(parent)
self.old_pname = ""
rx = "[chonslCHONSL()][CHONSLchonsl()0-9]{0," + str(LABEL_LENGTH_MAX -
1) + "}"
self.regExp = QRegExp(rx)
v = RegExpValidator(editor, self.regExp)
editor.setValidator(v)
return editor
def createEditor(self, parent, option, index):
editor = QLineEdit(parent)
validator = RegExpValidator(editor, QRegExp("[ -~]*"))
editor.setValidator(validator)
# Autocompletion for selection criteria!
comp_list = GuiLabelManager().getCompleter('mesh_selection')
completer = QCompleter()
editor.setCompleter(completer)
model = QStringListModel()
completer.setModel(model)
model.setStringList(comp_list)
return editor
def __init__(self, parent, default):
"""
Constructor
"""
QDialog.__init__(self, parent)
Ui_VerifyExistenceLabelDialogForm.__init__(self)
self.setupUi(self)
self.setWindowTitle(self.tr("New label"))
self.default = default
self.default['list'].remove(self.default['label'])
self.result = self.default.copy()
v = RegExpValidator(self.lineEdit, self.default['regexp'])
self.lineEdit.setValidator(v)
self.lineEdit.textChanged[str].connect(self.slotLabel)
def createEditor(self, parent, option, index):
editor = QLineEdit(parent)
validator = RegExpValidator(editor, QRegExp("[ -~]*"))
editor.setValidator(validator)
return editor
def createEditor(self, parent, option, index):
editor = QLineEdit(parent)
vd = RegExpValidator(editor, QRegExp("[0-9- ]*"))
editor.setValidator(vd)
editor.installEventFilter(self)
return editor
def __init__(self, parent, case):
"""
Constructor
"""
QWidget.__init__(self, parent)
Ui_PerformanceTuningForm.__init__(self)
self.setupUi(self)
self.case = case
self.case.undoStopGlobal()
self.mdl = PerformanceTuningModel(self.case)
# Combo models and items
self.modelPartType = ComboModel(self.comboBox_PartType, 4, 1)
self.modelPartOut = ComboModel(self.comboBox_PartOutput, 3, 1)
self.modelPartType.addItem(self.tr("Default"), 'default')
self.modelPartType.addItem(self.tr("PT-SCOTCH / SCOTCH"), 'scotch')
self.modelPartType.addItem(self.tr("ParMETIS / METIS"), 'metis')
self.modelPartType.addItem(self.tr("Morton curve (bounding box)"),
'morton sfc')
self.modelPartType.addItem(self.tr("Morton curve (bounding cube)"),
'morton sfc cube')
self.modelPartType.addItem(self.tr("Hilbert curve (bounding box)"),
'hilbert sfc')
self.modelPartType.addItem(self.tr("Hilbert curve (bounding cube)"),
'hilbert sfc cube')
self.modelPartType.addItem(self.tr("Block (unoptimized)"), 'block')
import cs_config
cfg = cs_config.config()
if cfg.libs['scotch'].have == "no":
self.comboBox_PartType.setItemData(1, QColor(Qt.red),
Qt.TextColorRole)
if cfg.libs['metis'].have == "no":
self.comboBox_PartType.setItemData(2, QColor(Qt.red),
Qt.TextColorRole)
self.modelPartOut.addItem(self.tr("No"), 'no')
self.modelPartOut.addItem(self.tr("For graph-based partitioning"),
'default')
self.modelPartOut.addItem(self.tr("Yes"), 'yes')
self.modelBlockIORead = ComboModel(self.comboBox_IORead, 6, 1)
self.modelBlockIOWrite = ComboModel(self.comboBox_IOWrite, 4, 1)
self.modelBlockIORead.addItem(self.tr("Default"), 'default')
self.modelBlockIORead.addItem(self.tr("Standard I/O, serial"),
'stdio serial')
self.modelBlockIORead.addItem(self.tr("Standard I/O, parallel"),
'stdio parallel')
self.modelBlockIORead.addItem(self.tr("MPI I/O, independent"),
'mpi independent')
self.modelBlockIORead.addItem(self.tr("MPI I/O, non-collective"),
'mpi noncollective')
self.modelBlockIORead.addItem(self.tr("MPI I/O, collective"),
'mpi collective')
self.modelBlockIOWrite.addItem(self.tr("Default"), 'default')
self.modelBlockIOWrite.addItem(self.tr("Standard I/O, serial"),
'stdio serial')
self.modelBlockIOWrite.addItem(self.tr("MPI I/O, non-collective"),
'mpi noncollective')
self.modelBlockIOWrite.addItem(self.tr("MPI I/O, collective"),
'mpi collective')
# Validators
partListVd = RegExpValidator(self.lineEdit_PartList,
QRegExp("[0-9- ]*"))
self.lineEdit_PartList.setValidator(partListVd)
# Connections
self.radioButtonYes.clicked.connect(self.slotPartition)
self.radioButtonNo.clicked.connect(self.slotPartition)
self.toolButton_PartInputDir.pressed.connect(
self.slotSearchPartInputDirectory)
self.comboBox_PartOutput.activated[str].connect(self.slotPartOut)
self.comboBox_PartType.activated[str].connect(self.slotPartType)
self.lineEdit_PartList.textChanged[str].connect(self.slotPartitionList)
self.spinBoxRankStep.valueChanged[int].connect(self.slotRankStep)
self.checkBox_IgnorePerio.clicked[bool].connect(self.slotIgnorePerio)
self.comboBox_IORead.activated[str].connect(self.slotBlockIOReadMethod)
self.comboBox_IOWrite.activated[str].connect(
self.slotBlockIOWriteMethod)
self.spinBoxIORankStep.valueChanged[int].connect(
self.slotBlockIORankStep)
self.spinBoxIOMinBlockSize.valueChanged[int].connect(
self.slotBlockIOMinSize)
self.tabWidget.currentChanged[int].connect(self.slotchanged)
# Widget initialization
self.partinput_path = self.mdl.getPartitionInputPath()
if self.partinput_path:
if not os.path.isdir(
os.path.join(self.case['case_path'], self.partinput_path)):
title = self.tr("WARNING")
msg = self.tr("Invalid path in %s!" % self.partinput_path)
QMessageBox.warning(self, title, msg)
self.radioButtonYes.setChecked(True)
self.radioButtonNo.setChecked(False)
class TimeAveragesView(QWidget, Ui_TimeAveragesForm):
"""
"""
def __init__(self, parent, case, stbar):
"""
Constructor
"""
QWidget.__init__(self, parent)
Ui_TimeAveragesForm.__init__(self)
self.setupUi(self)
self.case = case
self.case.undoStopGlobal()
self.mdl = TimeAveragesModel(self.case)
self.entriesNumber = 0
self.label_select = None
# Create the Page layout.
# Models
self.modelAverage = StandardItemModelAverage(self)
self.treeViewAverage.setModel(self.modelAverage)
self.treeViewAverage.resizeColumnToContents(0)
self.treeViewAverage.resizeColumnToContents(1)
self.treeViewAverage.resizeColumnToContents(2)
self.treeViewAverage.resizeColumnToContents(3)
self.treeViewAverage.resizeColumnToContents(4)
self.modelDrag = QStringListModel()
self.modelDrop = QStringListModel()
self.listViewDrag.setModel(self.modelDrag)
self.listViewDrop.setModel(self.modelDrop)
self.listViewDrag.setAlternatingRowColors(True)
self.listViewDrag.setEditTriggers(QAbstractItemView.NoEditTriggers)
self.listViewDrop.setAlternatingRowColors(True)
self.listViewDrop.setEditTriggers(QAbstractItemView.NoEditTriggers)
self.modelIMOOLD = ComboModel(self.comboBoxIMOOLD, 3, 1)
self.modelIMOOLD.addItem(self.tr('automatic'), 'automatic')
self.modelIMOOLD.addItem(self.tr('reset'), 'reset')
self.modelIMOOLD.addItem(self.tr('specified'), 'specified')
self.modelStartType = ComboModel(self.comboBoxStartType, 2, 1)
self.modelStartType.addItem(self.tr('time'), 'time')
self.modelStartType.addItem(self.tr('iteration'), 'iteration')
# Connections
self.pushButtonAdd.clicked.connect(self.slotAddAverage)
self.pushButtonDelete.clicked.connect(self.slotdeleteTimeAverage)
self.pushButtonAddVar.clicked.connect(self.slotAddVarAverage)
self.pushButtonSuppressVar.clicked.connect(self.slotDeleteVarAverage)
self.treeViewAverage.pressed[QModelIndex].connect(self.slotSelectAverage)
self.lineEditStart.textChanged[str].connect(self.slotStart)
self.lineEditStartTime.textChanged[str].connect(self.slotStartTime)
self.comboBoxIMOOLD.activated[str].connect(self.slotRestartChoice)
self.comboBoxStartType.activated[str].connect(self.slotTimeChoice)
self.lineEditRestart.textChanged[str].connect(self.slotRestart)
self.lineEditAverage.textChanged[str].connect(self.slotBaseName)
# Validators
validatorStart = IntValidator(self.lineEditStart, min=-1)
self.lineEditStart.setValidator(validatorStart)
validatorStartTime = DoubleValidator(self.lineEditStartTime, min=-1.)
self.lineEditStartTime.setValidator(validatorStartTime)
validatorRestart = IntValidator(self.lineEditRestart, min=-2, max=50)
validatorRestart.setExclusiveValues([0])
self.lineEditRestart.setValidator(validatorRestart)
rx = "[\-_A-Za-z0-9]{1," + str(LABEL_LENGTH_MAX) + "}"
validatorLabel = RegExpValidator(self.lineEditAverage, QRegExp(rx))
self.lineEditAverage.setValidator(validatorLabel)
# Initialize
# Update list of variables, properties, scalars ...
lst_label = [str(label) for label in list(self.mdl.dicoLabel2Name.keys())]
self.modelDrag.setStringList(sorted(lst_label, key=str.lower))
# Is it a following calculation ?
if not StartRestartModel(self.case).getRestartPath():
self.labelRestart.setDisabled(True)
self.comboBoxIMOOLD.setDisabled(True)
self.lineEditRestart.setDisabled(True)
self.treeViewAverage.hideColumn(4)
class ProfilesView(QWidget, Ui_ProfilesForm):
"""
"""
def __init__(self, parent, case, stbar):
"""
Constructor
"""
QWidget.__init__(self, parent)
Ui_ProfilesForm.__init__(self)
self.setupUi(self)
self.case = case
self.case.undoStopGlobal()
self.mdl = ProfilesModel(self.case)
self.notebook = NotebookModel(self.case)
# Initialize variables concerning the display of the Hlist
self.entriesNumber = 0
# Models
self.modelProfile = StandardItemModelProfile()
self.treeViewProfile.setModel(self.modelProfile)
self.treeViewProfile.resizeColumnToContents(0)
# QListView layout
self.gridlayout1 = QGridLayout(self.widgetDrag)
self.gridlayout1.setContentsMargins(0, 0, 0, 0)
self.DragList = QListView(self.widgetDrag)
self.gridlayout1.addWidget(self.DragList, 0, 0, 1, 1)
self.gridlayout2 = QGridLayout(self.widgetDrop)
self.gridlayout2.setContentsMargins(0, 0, 0, 0)
self.DropList = QListView(self.widgetDrop)
self.gridlayout2.addWidget(self.DropList, 0, 0, 1, 1)
self.modelDrag = QStringListModel()
self.modelDrop = QStringListModel()
self.DragList.setModel(self.modelDrag)
self.DropList.setModel(self.modelDrop)
self.DragList.setAlternatingRowColors(True)
self.DragList.setEditTriggers(QAbstractItemView.NoEditTriggers)
self.DropList.setAlternatingRowColors(True)
self.DropList.setEditTriggers(QAbstractItemView.NoEditTriggers)
# Combo items
self.modelFreq = ComboModel(self.comboBoxFreq, 3, 1)
self.modelFreq.addItem(self.tr("at the end of the calculation"), "end")
self.modelFreq.addItem(self.tr("at each 'n' time steps"), "frequency")
self.modelFreq.addItem(self.tr("Output every 'x' seconds"),
'time_value')
self.modelFormat = ComboModel(self.comboBoxFormat, 2, 1)
self.modelFormat.addItem(self.tr(".dat"), "DAT")
self.modelFormat.addItem(self.tr(".csv"), "CSV")
# Connections
self.treeViewProfile.pressed[QModelIndex].connect(
self.slotSelectProfile)
self.pushButtonAdd.clicked.connect(self.slotAddProfile)
self.pushButtonDelete.clicked.connect(self.slotDeleteProfile)
self.pushButtonAddVar.clicked.connect(self.slotAddVarProfile)
self.pushButtonSuppressVar.clicked.connect(self.slotDeleteVarProfile)
self.comboBoxFreq.activated[str].connect(self.slotFrequencyType)
self.comboBoxFormat.activated[str].connect(self.slotFormatType)
self.pushButtonFormula.clicked.connect(self.slotFormula)
self.lineEditBaseName.textChanged[str].connect(self.slotBaseName)
self.lineEditFreq.textChanged[str].connect(self.slotFrequence)
self.lineEditFreqTime.textChanged[str].connect(self.slotFrequenceTime)
self.lineEditNbPoint.textChanged[str].connect(self.slotNbPoint)
# Validators
validatorFreq = IntValidator(self.lineEditFreq, min=0)
validatorFreq.setExclusiveMin(True)
self.lineEditFreq.setValidator(validatorFreq)
validatorFreqT = DoubleValidator(self.lineEditFreqTime, min=0.)
validatorFreqT.setExclusiveMin(True)
self.lineEditFreqTime.setValidator(validatorFreqT)
validatorNbPoint = IntValidator(self.lineEditNbPoint, min=0)
self.lineEditNbPoint.setValidator(validatorNbPoint)
rx = "[\-_A-Za-z0-9]{1," + str(LABEL_LENGTH_MAX) + "}"
validatorBaseName = RegExpValidator(self.lineEditBaseName, QRegExp(rx))
self.lineEditBaseName.setValidator(validatorBaseName)
#update list of variables, properties, scalars ...
liste_label = []
for label in self.mdl.getVariablesAndVolumeProperties():
liste_label.append(label)
self.modelDrag.setStringList(sorted(liste_label, key=str.lower))
#update list of profiles for view from xml file
for lab in self.mdl.getProfilesLabelsList():
self.entriesNumber = self.entriesNumber + 1
label, fmt, lst, choice, freq, formula, nb_point = self.mdl.getProfileData(
lab)
self.__insertProfile(label, lst)
self.__eraseEntries()
self.case.undoStartGlobal()
class BatchRunningDialogView(QDialog, Ui_BatchRunningDialogForm):
"""
This class is devoted to the queue selection.
If the batch script file name is known, informations are displayed
in the appropiate widget.
"""
def __init__(self, parent, case):
"""
Constructor
"""
QWidget.__init__(self, parent)
Ui_BatchRunningDialogForm.__init__(self)
self.setupUi(self)
self.case = case
self.parent = parent
case_is_saved = not self.case.isModified()
title = self.tr("Run computation")
self.setWindowTitle(title)
self.case.undoStopGlobal()
self.mdl = ScriptRunningModel(self.case)
# Check if the script file name is already defined
if self.case['scripts_path']:
if not self.case['runcase']:
if self.case['package'].runcase in os.listdir(self.case['scripts_path']):
runcase_path = os.path.join(self.case['scripts_path'],
self.case['package'].runcase)
self.case['runcase'] = cs_runcase.runcase(runcase_path,
package=self.case['package'])
self.jmdl = BatchRunningModel(parent, self.case)
# Get MPI and OpenMP features
self.have_mpi = False
self.have_openmp = False
config_features = self.case['package'].config.features
config = configparser.ConfigParser()
config.read(self.case['package'].get_configfiles())
compute_build_id = -1
self.compute_versions = None
if config.has_option('install', 'compute_versions'):
self.compute_versions = config.get('install', 'compute_versions').split(':')
compute_build_id = 0
if len(self.compute_versions) > 1:
run_build = self.jmdl.dictValues['run_build']
if self.compute_versions.count(run_build) > 0:
compute_build_id = self.compute_versions.index(run_build)
elif run_build:
compute_build_id = -1
self.jmdl.dictValues['run_build'] = None
if compute_build_id >= 0:
pkg_compute = self.case['package'].get_alternate_version(self.compute_versions[compute_build_id])
config_features = pkg_compute.config.features
if config_features['mpi'] == 'yes':
self.have_mpi = True
if config_features['openmp'] == 'yes':
self.have_openmp = True
# Batch info
self.hideBatchInfo()
self.labelNProcs.hide()
self.spinBoxNProcs.hide()
self.labelNThreads.hide()
self.spinBoxNThreads.hide()
if compute_build_id < 0:
self.labelBuildType.hide()
self.comboBoxBuildType.hide()
else:
self.comboBoxBuildType.currentIndexChanged[int].connect(self.slotBuildType)
for b in self.compute_versions:
build_type_label = os.path.basename(b)
if not build_type_label:
build_type_label = "[default]"
self.comboBoxBuildType.addItem(self.tr(build_type_label),
build_type_label)
self.comboBoxBuildType.setCurrentIndex(compute_build_id)
self.class_list = None
self.__updateRunButton__(case_is_saved)
if self.jmdl.batch.rm_type != None:
validatorSimpleName = RegExpValidator(self.lineEditJobName,
QRegExp("[_A-Za-z0-9]*"))
validatorAccountName = RegExpValidator(self.lineEditJobAccount,
QRegExp("\\S+"))
self.lineEditJobName.setValidator(validatorSimpleName)
self.lineEditJobAccount.setValidator(validatorAccountName)
self.lineEditJobWCKey.setValidator(validatorAccountName)
else:
if self.jmdl.dictValues['run_nprocs'] == None:
try:
# For backwards compatibility
# (this is a specific case, as we move information from
# the XML model to the batch script)
self.jmdl.dictValues['run_nprocs'] = self.mdl.getString('n_procs')
self.mdl.setString('n_procs', None)
except Exception:
pass
validatorRunId = RegExpValidator(self.lineEditRunId,
QRegExp("[_A-Za-z0-9]*"))
self.lineEditRunId.setValidator(validatorRunId)
# Connections
if self.jmdl.batch.rm_type != None:
self.lineEditJobName.textChanged[str].connect(self.slotJobName)
self.spinBoxNodes.valueChanged[int].connect(self.slotJobNodes)
self.spinBoxPpn.valueChanged[int].connect(self.slotJobPpn)
self.spinBoxProcs.valueChanged[int].connect(self.slotJobProcs)
self.spinBoxThreads.valueChanged[int].connect(self.slotJobThreads)
self.spinBoxDays.valueChanged[int].connect(self.slotJobWallTime)
self.spinBoxHours.valueChanged[int].connect(self.slotJobWallTime)
self.spinBoxMinutes.valueChanged[int].connect(self.slotJobWallTime)
self.spinBoxSeconds.valueChanged[int].connect(self.slotJobWallTime)
self.comboBoxClass.activated[str].connect(self.slotClass)
self.lineEditJobAccount.textChanged[str].connect(self.slotJobAccount)
self.lineEditJobWCKey.textChanged[str].connect(self.slotJobWCKey)
else:
self.spinBoxNProcs.valueChanged[int].connect(self.slotNProcs)
self.spinBoxNThreads.valueChanged[int].connect(self.slotNThreads)
self.pushButtonCancel.clicked.connect(self.slotCancel)
self.pushButtonApply.clicked.connect(self.slotApply)
self.pushButtonRunSubmit.clicked.connect(self.slotBatchRunning)
self.lineEditRunId.textChanged[str].connect(self.slotJobRunId)
self.lineEdit_tool.textChanged[str].connect(self.slotDebug)
self.toolButton_2.clicked.connect(self.slotDebugHelp)
self.checkBoxInitOnly.stateChanged.connect(self.slotInitOnly)
self.checkBoxTrace.stateChanged.connect(self.slotTrace)
self.checkBoxLogParallel.stateChanged.connect(self.slotLogParallel)
if not self.case['scripts_path']:
self.pushButtonRunSubmit.setEnabled(False)
# initialize Widgets
if self.jmdl.batch.rm_type != None and self.case['runcase']:
self.displayBatchInfo()
#rm_type = self.jmdl.batch.rm_type
run_id = str(self.jmdl.dictValues['run_id'])
if run_id != 'None':
self.lineEditRunId.setText(run_id)
else:
self.lineEditRunId.setText("")
# Advanced options
self.debug = self.mdl.getString('debug')
if self.debug is not None:
self.lineEdit_tool.setText(str(self.debug))
self.trace_iter = self.mdl.getTrace()
self.log_parallel = self.mdl.getLogParallel()
if self.trace_iter:
self.checkBoxTrace.setChecked(True)
if self.log_parallel:
self.checkBoxLogParallel.setChecked(True)
self.checkBoxInitOnly.setChecked(self.jmdl.dictValues['run_stage_init'])
# Script info is based on the XML model
self.displayScriptInfo()
self.case.undoStartGlobal()
def __init__(self, parent, case):
"""
Constructor
"""
QWidget.__init__(self, parent)
Ui_BatchRunningDialogForm.__init__(self)
self.setupUi(self)
self.case = case
self.parent = parent
case_is_saved = not self.case.isModified()
title = self.tr("Run computation")
self.setWindowTitle(title)
self.case.undoStopGlobal()
self.mdl = ScriptRunningModel(self.case)
self.jmdl = self.case['job_model']
if self.jmdl == None:
if self.case['data_path']:
run_conf_path = os.path.join(self.case['data_path'], 'run.cfg')
else:
run_conf_path = None
self.jmdl = BatchRunningModel(path=run_conf_path,
pkg=self.case['package'])
self.jmdl.load()
self.run_dict = {}
for k in self.jmdl.run_dict:
self.run_dict[k] = self.jmdl.run_dict[k]
self.job_dict = {}
for k in self.jmdl.job_dict:
self.job_dict[k] = self.jmdl.job_dict[k]
self.have_mpi = self.jmdl.have_mpi
self.have_openmp = self.jmdl.have_openmp
self.job_name = self.jmdl.batch.params['job_nodes']
self.job_nodes = self.jmdl.batch.params['job_nodes']
self.job_ppn = self.jmdl.batch.params['job_ppn']
self.job_procs = self.jmdl.batch.params['job_procs']
self.job_threads = self.jmdl.batch.params['job_threads']
self.job_walltime = self.jmdl.batch.params['job_walltime']
self.job_class = self.jmdl.batch.params['job_class']
self.job_account = self.jmdl.batch.params['job_account']
self.job_wckey = self.jmdl.batch.params['job_wckey']
# Batch info
self.hideBatchInfo()
self.labelNProcs.hide()
self.spinBoxNProcs.hide()
self.labelNThreads.hide()
self.spinBoxNThreads.hide()
compute_build_id = -1
if self.jmdl.compute_builds:
compute_build = self.run_dict['compute_build']
if compute_build in self.jmdl.compute_builds:
compute_build_id = self.jmdl.compute_builds.index(
compute_build)
else:
compute_build_id = 0
self.run_dict['compute_build'] = self.jmdl.compute_builds[0]
if compute_build_id < 0:
self.labelBuildType.hide()
self.comboBoxBuildType.hide()
else:
self.comboBoxBuildType.currentIndexChanged[int].connect(
self.slotBuildType)
for b in self.jmdl.compute_builds:
build_type_label = os.path.basename(b)
if not build_type_label:
build_type_label = "[default]"
self.comboBoxBuildType.addItem(self.tr(build_type_label),
build_type_label)
self.comboBoxBuildType.setCurrentIndex(compute_build_id)
self.class_list = None
self.__updateRunButton__(case_is_saved)
if self.jmdl.batch.rm_type != None:
validatorSimpleName = RegExpValidator(self.lineEditJobName,
QRegExp("[_A-Za-z0-9]*"))
validatorAccountName = RegExpValidator(self.lineEditJobAccount,
QRegExp("\\S+"))
self.lineEditJobName.setValidator(validatorSimpleName)
self.lineEditJobAccount.setValidator(validatorAccountName)
self.lineEditJobWCKey.setValidator(validatorAccountName)
validatorRunId = RegExpValidator(self.lineEditRunId,
QRegExp("[_A-Za-z0-9]*"))
self.lineEditRunId.setValidator(validatorRunId)
# Connections
if self.jmdl.batch.rm_type != None:
self.lineEditJobName.textChanged[str].connect(self.slotJobName)
self.spinBoxNodes.valueChanged[int].connect(self.slotJobNodes)
self.spinBoxPpn.valueChanged[int].connect(self.slotJobPpn)
self.spinBoxProcs.valueChanged[int].connect(self.slotJobProcs)
self.spinBoxThreads.valueChanged[int].connect(self.slotJobThreads)
self.spinBoxDays.valueChanged[int].connect(self.slotJobWallTime)
self.spinBoxHours.valueChanged[int].connect(self.slotJobWallTime)
self.spinBoxMinutes.valueChanged[int].connect(self.slotJobWallTime)
self.spinBoxSeconds.valueChanged[int].connect(self.slotJobWallTime)
self.comboBoxClass.activated[str].connect(self.slotClass)
self.lineEditJobAccount.textChanged[str].connect(
self.slotJobAccount)
self.lineEditJobWCKey.textChanged[str].connect(self.slotJobWCKey)
else:
self.spinBoxNProcs.valueChanged[int].connect(self.slotNProcs)
self.spinBoxNThreads.valueChanged[int].connect(self.slotNThreads)
self.pushButtonCancel.clicked.connect(self.slotCancel)
self.pushButtonApply.clicked.connect(self.slotApply)
self.pushButtonRunSubmit.clicked.connect(self.slotBatchRunning)
self.lineEditRunId.textChanged[str].connect(self.slotJobRunId)
self.lineEdit_tool.textChanged[str].connect(self.slotDebug)
self.toolButton_2.clicked.connect(self.slotDebugHelp)
self.checkBoxInitOnly.stateChanged.connect(self.slotInitOnly)
self.checkBoxTrace.stateChanged.connect(self.slotTrace)
self.checkBoxLogParallel.stateChanged.connect(self.slotLogParallel)
if not self.case['data_path']:
self.pushButtonRunSubmit.setEnabled(False)
# initialize Widgets
if self.jmdl.batch.rm_type != None:
self.displayBatchInfo()
run_id = str(self.run_dict['id'])
if run_id != 'None':
self.lineEditRunId.setText(run_id)
else:
self.lineEditRunId.setText("")
# Advanced options
self.debug = self.mdl.getString('debug')
if self.debug is not None:
self.lineEdit_tool.setText(str(self.debug))
self.trace_iter = self.mdl.getTrace()
self.log_parallel = self.mdl.getLogParallel()
if self.trace_iter:
self.checkBoxTrace.setChecked(True)
if self.log_parallel:
self.checkBoxLogParallel.setChecked(True)
self.checkBoxInitOnly.setChecked(self.run_dict['initialize'] == True)
# Script info is based on the XML model
self.displayScriptInfo()
# self.resize(self.minimumSizeHint())
self.case.undoStartGlobal()
class BatchRunningView(QWidget, Ui_BatchRunningForm):
"""
This class is devoted to the Computer selection.
When a new computer is selected, The old data frame is deleted and
a new apropriate frame is open.
If the batch script file name is known, informations are display
in the apropiate widget.
"""
def __init__(self, parent, case):
"""
Constructor
"""
QWidget.__init__(self, parent)
Ui_BatchRunningForm.__init__(self)
self.setupUi(self)
self.case = case
self.parent = parent
self.case.undoStopGlobal()
self.mdl = ScriptRunningModel(self.case)
# Check if the script file name is already defined
if self.case['scripts_path']:
if not self.case['runcase']:
if self.case['package'].runcase in os.listdir(
self.case['scripts_path']):
runcase_path = os.path.join(self.case['scripts_path'],
self.case['package'].runcase)
self.case['runcase'] = cs_runcase.runcase(
runcase_path, package=self.case['package'])
# Get MPI and OpenMP features
self.have_mpi = False
self.have_openmp = False
config_features = self.case['package'].config.features
config = configparser.ConfigParser()
config.read(self.case['package'].get_configfiles())
if config.has_option('install', 'compute_versions'):
compute_versions = config.get('install',
'compute_versions').split(':')
if compute_versions[0]:
pkg_compute = self.case['package'].get_alternate_version(
compute_versions[0])
config_features = pkg_compute.config.features
if config_features['mpi'] == 'yes':
self.have_mpi = True
if config_features['openmp'] == 'yes':
self.have_openmp = True
self.jmdl = BatchRunningModel(parent, self.case)
# Batch info
self.hideBatchInfo()
self.labelNProcs.hide()
self.spinBoxNProcs.hide()
self.labelNThreads.hide()
self.spinBoxNThreads.hide()
self.class_list = None
if self.jmdl.batch.rm_type != None:
self.groupBoxArchi.setTitle("Job and script files")
self.labelBatch.show()
self.toolButtonSearchBatch.show()
validatorSimpleName = RegExpValidator(self.lineEditJobName,
QRegExp("[_A-Za-z0-9]*"))
validatorAccountName = RegExpValidator(self.lineEditJobAccount,
QRegExp("\\S+"))
self.lineEditJobName.setValidator(validatorSimpleName)
self.lineEditJobAccount.setValidator(validatorAccountName)
self.lineEditJobWCKey.setValidator(validatorAccountName)
self.pushButtonRunSubmit.setText("Submit job")
else:
if self.jmdl.dictValues['run_nprocs'] == None:
try:
# For backwards compatibility
# (this is a specific case, as we move information from
# the XML model to the batch script)
self.jmdl.dictValues['run_nprocs'] = self.mdl.getString(
'n_procs')
self.mdl.setString('n_procs', None)
except Exception:
pass
# Connections
if self.jmdl.batch.rm_type != None:
self.lineEditJobName.textChanged[str].connect(self.slotJobName)
self.spinBoxNodes.valueChanged[int].connect(self.slotJobNodes)
self.spinBoxPpn.valueChanged[int].connect(self.slotJobPpn)
self.spinBoxProcs.valueChanged[int].connect(self.slotJobProcs)
self.spinBoxThreads.valueChanged[int].connect(self.slotJobThreads)
self.spinBoxDays.valueChanged[int].connect(self.slotJobWallTime)
self.spinBoxHours.valueChanged[int].connect(self.slotJobWallTime)
self.spinBoxMinutes.valueChanged[int].connect(self.slotJobWallTime)
self.spinBoxSeconds.valueChanged[int].connect(self.slotJobWallTime)
self.comboBoxClass.activated[str].connect(self.slotClass)
self.lineEditJobAccount.textChanged[str].connect(
self.slotJobAccount)
self.lineEditJobWCKey.textChanged[str].connect(self.slotJobWCKey)
else:
self.spinBoxNProcs.valueChanged[int].connect(self.slotNProcs)
self.spinBoxNThreads.valueChanged[int].connect(self.slotNThreads)
self.toolButtonSearchBatch.clicked.connect(self.slotSearchBatchFile)
self.comboBoxRunType.activated[str].connect(self.slotArgRunType)
self.toolButtonAdvanced.clicked.connect(self.slotAdvancedOptions)
self.pushButtonRunSubmit.clicked.connect(self.slotBatchRunning)
# Combomodels
self.modelArg_cs_verif = ComboModel(self.comboBoxRunType, 2, 1)
self.modelArg_cs_verif.addItem(self.tr("Import mesh only"), 'none')
self.modelArg_cs_verif.addItem(self.tr("Mesh preprocessing"),
'mesh preprocess')
self.modelArg_cs_verif.addItem(self.tr("Mesh quality criteria"),
'mesh quality')
self.modelArg_cs_verif.addItem(self.tr("Standard"), 'standard')
if self.case['prepro'] == False:
self.modelArg_cs_verif.enableItem(3)
else:
self.modelArg_cs_verif.disableItem(3)
self.modelArg_cs_verif.setItem(
str_model=self.mdl.getRunType(self.case['prepro']))
# initialize Widgets
# Check if the script file name is already defined
if self.case['runcase']:
name = os.path.basename(self.case['runcase'].path)
self.labelBatchName.setText(str(name))
self.toolButtonSearchBatch.setStyleSheet("background-color: green")
else:
self.toolButtonSearchBatch.setStyleSheet("background-color: red")
if self.jmdl.batch.rm_type != None and self.case['runcase']:
self.displayBatchInfo()
# Script info is based on the XML model
self.displayScriptInfo()
self.case.undoStartGlobal()
class BatchRunningView(QWidget, Ui_BatchRunningForm):
"""
This class is devoted to the queue selection.
If the batch script file name is known, informations are displayed
in the appropiate widget.
"""
def __init__(self, parent, case):
"""
Constructor
"""
QWidget.__init__(self, parent)
Ui_BatchRunningForm.__init__(self)
self.setupUi(self)
self.case = case
self.parent = parent
self.case.undoStopGlobal()
self.mdl = ScriptRunningModel(self.case)
# Check if the script file name is already defined
if self.case['scripts_path']:
if not self.case['runcase']:
if self.case['package'].runcase in os.listdir(
self.case['scripts_path']):
runcase_path = os.path.join(self.case['scripts_path'],
self.case['package'].runcase)
self.case['runcase'] = cs_runcase.runcase(
runcase_path, package=self.case['package'])
self.jmdl = BatchRunningModel(parent, self.case)
# Get MPI and OpenMP features
self.have_mpi = False
self.have_openmp = False
config_features = self.case['package'].config.features
config = configparser.ConfigParser()
config.read(self.case['package'].get_configfiles())
compute_build_id = -1
self.compute_versions = None
if config.has_option('install', 'compute_versions'):
self.compute_versions = config.get('install',
'compute_versions').split(':')
compute_build_id = 0
if len(self.compute_versions) > 1:
run_build = self.jmdl.dictValues['run_build']
if self.compute_versions.count(run_build) > 0:
compute_build_id = self.compute_versions.index(run_build)
elif run_build:
compute_build_id = -1
self.jmdl.dictValues['run_build'] = None
self.jmdl.updateBatchFile('run_build')
if compute_build_id >= 0:
pkg_compute = self.case['package'].get_alternate_version(
self.compute_versions[compute_build_id])
config_features = pkg_compute.config.features
if config_features['mpi'] == 'yes':
self.have_mpi = True
if config_features['openmp'] == 'yes':
self.have_openmp = True
# Batch info
self.hideBatchInfo()
self.labelNProcs.hide()
self.spinBoxNProcs.hide()
self.labelNThreads.hide()
self.spinBoxNThreads.hide()
if compute_build_id < 0:
self.labelBuildType.hide()
self.comboBoxBuildType.hide()
else:
self.comboBoxBuildType.currentIndexChanged[int].connect(
self.slotBuildType)
for b in self.compute_versions:
build_type_label = os.path.basename(b)
if not build_type_label:
build_type_label = "[default]"
self.comboBoxBuildType.addItem(self.tr(build_type_label),
to_qvariant(build_type_label))
self.comboBoxBuildType.setCurrentIndex(compute_build_id)
self.class_list = None
if self.jmdl.batch.rm_type != None:
validatorSimpleName = RegExpValidator(self.lineEditJobName,
QRegExp("[_A-Za-z0-9]*"))
validatorAccountName = RegExpValidator(self.lineEditJobAccount,
QRegExp("\\S+"))
self.lineEditJobName.setValidator(validatorSimpleName)
self.lineEditJobAccount.setValidator(validatorAccountName)
self.lineEditJobWCKey.setValidator(validatorAccountName)
self.pushButtonRunSubmit.setText("Submit job")
else:
if self.jmdl.dictValues['run_nprocs'] == None:
try:
# For backwards compatibility
# (this is a specific case, as we move information from
# the XML model to the batch script)
self.jmdl.dictValues['run_nprocs'] = self.mdl.getString(
'n_procs')
self.mdl.setString('n_procs', None)
except Exception:
pass
validatorRunId = RegExpValidator(self.lineEditRunId,
QRegExp("[_A-Za-z0-9]*"))
self.lineEditRunId.setValidator(validatorRunId)
# Connections
if self.jmdl.batch.rm_type != None:
self.lineEditJobName.textChanged[str].connect(self.slotJobName)
self.spinBoxNodes.valueChanged[int].connect(self.slotJobNodes)
self.spinBoxPpn.valueChanged[int].connect(self.slotJobPpn)
self.spinBoxProcs.valueChanged[int].connect(self.slotJobProcs)
self.spinBoxThreads.valueChanged[int].connect(self.slotJobThreads)
self.spinBoxDays.valueChanged[int].connect(self.slotJobWallTime)
self.spinBoxHours.valueChanged[int].connect(self.slotJobWallTime)
self.spinBoxMinutes.valueChanged[int].connect(self.slotJobWallTime)
self.spinBoxSeconds.valueChanged[int].connect(self.slotJobWallTime)
self.comboBoxClass.activated[str].connect(self.slotClass)
self.lineEditJobAccount.textChanged[str].connect(
self.slotJobAccount)
self.lineEditJobWCKey.textChanged[str].connect(self.slotJobWCKey)
else:
self.spinBoxNProcs.valueChanged[int].connect(self.slotNProcs)
self.spinBoxNThreads.valueChanged[int].connect(self.slotNThreads)
self.comboBoxRunType.activated[str].connect(self.slotArgRunType)
self.toolButtonAdvanced.clicked.connect(self.slotAdvancedOptions)
self.pushButtonRunSubmit.clicked.connect(self.slotBatchRunning)
self.lineEditRunId.textChanged[str].connect(self.slotJobRunId)
# Combomodels
self.modelArg_cs_verif = ComboModel(self.comboBoxRunType, 2, 1)
self.modelArg_cs_verif.addItem(self.tr("Import mesh only"), 'none')
self.modelArg_cs_verif.addItem(self.tr("Mesh preprocessing"),
'mesh preprocess')
self.modelArg_cs_verif.addItem(self.tr("Mesh quality criteria"),
'mesh quality')
if self.case['prepro'] == True:
self.modelArg_cs_verif.setItem(
str_model=self.mdl.getRunType(self.case['prepro']))
self.labelRunType.show()
self.comboBoxRunType.show()
else:
self.labelRunType.hide()
self.comboBoxRunType.hide()
# initialize Widgets
if self.jmdl.batch.rm_type != None and self.case['runcase']:
self.displayBatchInfo()
#rm_type = self.jmdl.batch.rm_type
run_id = str(self.jmdl.dictValues['run_id'])
#if run_id == 'None' and self.case['scripts_path']:
# run_id, run_title = self.__suggest_run_id()
# self.__updateRuncase(run_id)
if run_id != 'None':
self.lineEditRunId.setText(run_id)
else:
self.lineEditRunId.setText("")
# Script info is based on the XML model
self.displayScriptInfo()
self.case.undoStartGlobal()
def __init__(self, parent, case):
"""
Constructor
"""
QWidget.__init__(self, parent)
Ui_GasCombustionForm.__init__(self)
self.setupUi(self)
self.case = case
self.case.undoStopGlobal()
self.mdl = GasCombustionModel(self.case)
self.thermodata = ThermochemistryData(self.case)
# Model for table View
self.modelSpecies = StandardItemModelSpecies(self, self.thermodata)
self.tableViewSpecies.setModel(self.modelSpecies)
# Delegates
delegateLabel = NameDelegate(self.tableViewSpecies)
delegateChemicalFormula = ChemicalFormulaDelegate(
self.tableViewSpecies)
delegateCompFuel = ValueDelegate(self.tableViewSpecies)
delegateCompOxi = ValueDelegate(self.tableViewSpecies)
delegateCompProd = ValueDelegate(self.tableViewSpecies)
delegateCoeffAbsorp = ValueDelegate(self.tableViewSpecies)
self.tableViewSpecies.setItemDelegateForColumn(0, delegateLabel)
self.tableViewSpecies.setItemDelegateForColumn(
1, delegateChemicalFormula)
self.tableViewSpecies.setItemDelegateForColumn(2, delegateCompFuel)
self.tableViewSpecies.setItemDelegateForColumn(3, delegateCompOxi)
self.tableViewSpecies.setItemDelegateForColumn(4, delegateCompProd)
self.tableViewSpecies.setItemDelegateForColumn(5, delegateCoeffAbsorp)
# tableView
if QT_API == "PYQT4":
self.tableViewSpecies.horizontalHeader().setResizeMode(
QHeaderView.Stretch)
self.tableViewSpecies.horizontalHeader().setResizeMode(
0, QHeaderView.ResizeToContents)
self.tableViewSpecies.horizontalHeader().setResizeMode(
1, QHeaderView.ResizeToContents)
elif QT_API == "PYQT5":
self.tableViewSpecies.horizontalHeader().setSectionResizeMode(
QHeaderView.Stretch)
self.tableViewSpecies.horizontalHeader().setSectionResizeMode(
0, QHeaderView.ResizeToContents)
self.tableViewSpecies.horizontalHeader().setSectionResizeMode(
1, QHeaderView.ResizeToContents)
# Set models and number of elements for combo boxes
self.modelGasCombustionOption = ComboModel(
self.comboBoxGasCombustionOption, 1, 1)
# Combo models to choose the mode to create the Janaf File
self.userModeForChemicalReaction = ComboModel(self.comboBoxUserChoice,
2, 1)
self.userModeForChemicalReaction.addItem("Automatic definition",
'auto')
self.userModeForChemicalReaction.addItem("Defined by user", 'user')
# Connections
self.comboBoxUserChoice.activated[str].connect(self.slotUserChoice)
self.comboBoxGasCombustionOption.activated[str].connect(
self.slotGasCombustionOption)
self.pushButtonThermochemistryData.pressed.connect(
self.__slotSearchThermochemistryData)
self.radioButtonCreateJanafFile.clicked.connect(
self.slotCreateJanafFile)
self.lineEditNbPointsTabu.textChanged[str].connect(
self.slotNbPointsTabu)
self.lineEditMaximumTemp.textChanged[str].connect(self.slotMaximumTemp)
self.lineEditMinimumTemp.textChanged[str].connect(self.slotMinimumTemp)
self.pushButtonAddSpecies.clicked.connect(self.slotAddSpecies)
self.pushButtonDeleteSpecies.clicked.connect(self.slotDeleteSpecies)
self.pushButtonGenerateJanafFile.clicked.connect(
self.slotGenerateJanafFile)
self.lineEditFuel.textChanged[str].connect(self.slotFuel)
self.lineEditO2.textChanged[str].connect(self.slotVolPropO2)
self.lineEditN2.textChanged[str].connect(self.slotVolPropN2)
self.lineEditCOyield.textChanged[str].connect(self.slotCOyield)
self.lineEditCSyield.textChanged[str].connect(self.slotCSyield)
self.modelSpecies.dataChanged.connect(self.dataChanged)
# Validators
validatorNbPointsTabu = IntValidator(self.lineEditNbPointsTabu, min=1)
validatorMaximumTemp = DoubleValidator(self.lineEditMaximumTemp,
min=273.0)
validatorMinimumTemp = DoubleValidator(self.lineEditMinimumTemp,
min=273.0)
rx = "[chonlCHONL()][CHONLchonl()0-9]{0," + str(LABEL_LENGTH_MAX -
1) + "}"
validatorFuel = RegExpValidator(self.lineEditFuel, QRegExp(rx))
validatorO2 = DoubleValidator(self.lineEditO2, min=1e-12, max=1.0)
validatorN2 = DoubleValidator(self.lineEditN2, min=0.0, max=1.0)
validatorCOyield = DoubleValidator(self.lineEditCOyield, min=0.0)
validatorCSyield = DoubleValidator(self.lineEditCSyield, min=0.0)
self.lineEditNbPointsTabu.setValidator(validatorNbPointsTabu)
self.lineEditMaximumTemp.setValidator(validatorMaximumTemp)
self.lineEditMinimumTemp.setValidator(validatorMinimumTemp)
self.lineEditFuel.setValidator(validatorFuel)
self.lineEditO2.setValidator(validatorO2)
self.lineEditN2.setValidator(validatorN2)
self.lineEditCOyield.setValidator(validatorCOyield)
self.lineEditCSyield.setValidator(validatorCSyield)
NbPointsTabu = self.thermodata.getNbPointsTabu()
MaximumTemp = self.thermodata.getMaximumTemp()
MinimumTemp = self.thermodata.getMinimumTemp()
Option_UserMode = self.thermodata.getUserModeForChemicalReaction()
ChemicalFormulaFuel = self.thermodata.getChemicalFormulaFuel()
VolPropO2 = self.thermodata.getVolPropO2()
VolPropN2 = self.thermodata.getVolPropN2()
COyield = self.thermodata.getCOyield()
CSyield = self.thermodata.getCSyield()
self.lineEditNbPointsTabu.setText(str(NbPointsTabu))
self.lineEditMaximumTemp.setText(str(MaximumTemp))
self.lineEditMinimumTemp.setText(str(MinimumTemp))
self.lineEditFuel.setText(str(ChemicalFormulaFuel))
self.lineEditO2.setText(str(VolPropO2))
self.lineEditN2.setText(str(VolPropN2))
self.lineEditCOyield.setText(str(COyield))
self.lineEditCSyield.setText(str(CSyield))
# Initialize Widgets
self.tableViewSpecies.reset()
self.modelSpecies = StandardItemModelSpecies(self, self.thermodata)
self.tableViewSpecies.setModel(self.modelSpecies)
model = self.mdl.getGasCombustionModel()
if model == 'd3p':
self.modelGasCombustionOption.addItem(self.tr("adiabatic model"),
"adiabatic")
self.modelGasCombustionOption.addItem(
self.tr("non adiabatic model"), "extended")
elif model == 'ebu':
self.modelGasCombustionOption.addItem(
self.tr("reference Spalding model"), "spalding")
self.modelGasCombustionOption.addItem(
self.tr("extended model with enthalpy source term"),
"enthalpy_st")
self.modelGasCombustionOption.addItem(
self.tr("extended model with mixture fraction transport"),
"mixture_st")
self.modelGasCombustionOption.addItem(
self.
tr("extended model with enthalpy and mixture fraction transport"
), "enthalpy_mixture_st")
elif model == 'lwp':
self.modelGasCombustionOption.addItem(
self.tr("reference two-peak model with adiabatic condition"),
"2-peak_adiabatic")
self.modelGasCombustionOption.addItem(
self.tr("reference two-peak model with enthalpy source term"),
"2-peak_enthalpy")
self.modelGasCombustionOption.addItem(
self.tr("reference three-peak model with adiabatic condition"),
"3-peak_adiabatic")
self.modelGasCombustionOption.addItem(
self.tr(
"reference three-peak model with enthalpy source term"),
"3-peak_enthalpy")
self.modelGasCombustionOption.addItem(
self.tr("reference four-peak model with adiabatic condition"),
"4-peak_adiabatic")
self.modelGasCombustionOption.addItem(
self.tr("reference four-peak model with enthalpy source term"),
"4-peak_enthalpy")
option = self.mdl.getGasCombustionOption()
self.modelGasCombustionOption.setItem(str_model=option)
name = self.mdl.getThermoChemistryDataFileName()
if name != None and name != "":
self.labelThermochemistryFile.setText(str(name))
self.pushButtonThermochemistryData.setStyleSheet(
"background-color: green")
else:
self.pushButtonThermochemistryData.setStyleSheet(
"background-color: red")
self.radioButtonCreateJanafFile.hide()
if self.thermodata.getCreateThermoDataFile() == 'on':
self.radioButtonCreateJanafFile.setChecked(True)
self.userModeForChemicalReaction.setItem(str_model=Option_UserMode)
for label in self.thermodata.getSpeciesNamesList():
self.modelSpecies.newItem(label)
else:
self.radioButtonCreateJanafFile.setChecked(False)
# for the moment the option to create Janaf file in the GUI is only available with d3p
if model == 'd3p':
self.radioButtonCreateJanafFile.show()
self.groupBoxTabulation.show()
self.groupBoxChemicalReaction.show()
self.groupBoxDefinedByUser.show()
self.groupBoxGenerateDataFile.show()
self.groupBoxAutomatic.show()
self.slotCreateJanafFile()
self.case.undoStartGlobal()
