def createPropertiesWidget(self, propertiesWidget):
self.propertyEditor = weakref.ref(propertiesWidget)
baseCategory = CollapsibleFormWidget(headName="Base")
le_name = QLineEdit(self.getName())
le_name.setReadOnly(True)
baseCategory.addWidget("Name", le_name)
leUid = QLineEdit(str(self._rawNode.graph().name))
leUid.setReadOnly(True)
baseCategory.addWidget("Owning graph", leUid)
text = "{0}".format(self.packageName)
if self._rawNode.lib:
text += " | {0}".format(self._rawNode.lib)
text += " | {0}".format(self._rawNode.__class__.__name__)
leType = QLineEdit(text)
leType.setReadOnly(True)
baseCategory.addWidget("Type", leType)
self.propertyEditor().addWidget(baseCategory)
self.createInputWidgets(self.propertyEditor())
Info = CollapsibleFormWidget(headName="Info", collapsed=True)
doc = QTextBrowser()
doc.setOpenExternalLinks(True)
doc.setHtml(self.description())
Info.addWidget(widget=doc)
self.propertyEditor().addWidget(Info)
def createPropertiesWidget(self, propertiesWidget):
baseCategory = CollapsibleFormWidget(headName="Base")
# name
le_name = QLineEdit(self.getName())
le_name.setReadOnly(True)
# if self.isRenamable():
le_name.setReadOnly(False)
le_name.returnPressed.connect(lambda: self.setName(le_name.text()))
baseCategory.addWidget("Name", le_name)
# type
leType = QLineEdit(self.__class__.__name__)
leType.setReadOnly(True)
baseCategory.addWidget("Type", leType)
# pos
le_pos = QLineEdit("{0} x {1}".format(self.pos().x(), self.pos().y()))
baseCategory.addWidget("Pos", le_pos)
propertiesWidget.addWidget(baseCategory)
appearanceCategory = CollapsibleFormWidget(headName="Appearance")
pb = QPushButton("...")
pb.clicked.connect(lambda: self.onChangeColor(True))
appearanceCategory.addWidget("Color", pb)
propertiesWidget.addWidget(appearanceCategory)
infoCategory = CollapsibleFormWidget(headName="Info")
doc = QTextBrowser()
doc.setOpenExternalLinks(True)
doc.setHtml(self.description())
infoCategory.addWidget("", doc)
propertiesWidget.addWidget(infoCategory)
def __init__(self, page, parent=None):
super(HelpForm, self).__init__(parent)
self.setAttribute(Qt.WA_DeleteOnClose)
self.setAttribute(Qt.WA_GroupLeader)
backAction = QAction(QIcon(":/back.png"), "&Back", self)
backAction.setShortcut(QKeySequence.Back)
homeAction = QAction(QIcon(":/home.png"), "&Home", self)
homeAction.setShortcut("Home")
self.pageLabel = QLabel()
toolBar = QToolBar()
toolBar.addAction(backAction)
toolBar.addAction(homeAction)
toolBar.addWidget(self.pageLabel)
self.textBrowser = QTextBrowser()
layout = QVBoxLayout()
layout.addWidget(toolBar)
layout.addWidget(self.textBrowser, 1)
self.setLayout(layout)
backAction.triggered.connect(self.tbackward)
homeAction.triggered.connect(self.thome)
self.textBrowser.sourceChanged.connect(self.updatePageTitle)
self.textBrowser.setSearchPaths([":/help"])
self.textBrowser.setSource(QUrl(page))
self.resize(400, 600)
self.setWindowTitle("{0} Help".format(QApplication.applicationName()))
def onUpdatePropertyView(self, formLayout):
# name
le_name = QLineEdit(self.getName())
le_name.setReadOnly(True)
if self.label().IsRenamable():
le_name.setReadOnly(False)
le_name.returnPressed.connect(lambda: self.setName(le_name.text()))
formLayout.addRow("Name", le_name)
# uid
leUid = QLineEdit(str(self.uid))
leUid.setReadOnly(True)
#formLayout.addRow("Uuid", leUid)
# type
leType = QLineEdit(self.__class__.__name__)
leType.setReadOnly(True)
formLayout.addRow("Type", leType)
# pos
#le_pos = QLineEdit("{0} x {1}".format(self.pos().x(), self.pos().y()))
#formLayout.addRow("Pos", le_pos)
# inputs
if len([i for i in self.inputs.values()]) != 0:
for inp in self.inputs.values():
dataSetter = inp.call if inp.dataType == DataTypes.Exec else inp.setData
if not inp.hasConnections():
w = getInputWidget(inp.dataType, dataSetter,
inp.defaultValue(), inp.getUserStruct())
if w:
w.setWidgetValue(inp.currentData())
w.setObjectName(inp.getName())
formLayout.addRow(inp.name, w)
if inp.hasConnections():
w.setEnabled(False)
w.hide()
if self.asGraphSides:
# outputs
if len([i for i in self.outputs.values()]) != 0:
for out in self.outputs.values():
dataSetter = out.call if out.dataType == DataTypes.Exec else out.setData
w = getInputWidget(out.dataType, dataSetter,
out.defaultValue(), out.getUserStruct())
if w:
w.setWidgetValue(out.currentData())
w.setObjectName(out.getName())
formLayout.addRow(out.name, w)
if out.hasConnections():
w.setEnabled(True)
doc_lb = QLabel()
doc_lb.setStyleSheet("background-color: black;")
doc_lb.setText("Description")
#formLayout.addRow("", doc_lb)
doc = QTextBrowser()
doc.setOpenExternalLinks(True)
doc.setHtml(self.description())
def _build_ui(self):
layout = QGridLayout()
self.text = QTextBrowser()
font = QFontDatabase.systemFont(QFontDatabase.FixedFont)
self.text.setFont(font)
layout.addWidget(self.text, 0, 0)
self.ui_area.setLayout(layout)
self.manage(None)
def _build_ui(self):
layout = QVBoxLayout()
self.results = QTextBrowser()
font = QFontDatabase.systemFont(QFontDatabase.FixedFont)
self.results.setFont(font)
layout.insertWidget(0, self.results, 1)
self.ui_area.setLayout(layout)
self.manage(None)
def __init__(self):
super(LoggerTool, self).__init__()
self.logView = QTextBrowser()
self.logView.setContextMenuPolicy(QtCore.Qt.ActionsContextMenu)
self.logView.setOpenLinks(False)
self.logView.setReadOnly(True)
self.logView.setStyleSheet(
"background-color: %s; Font: 10pt 'Consolas'" % "rgba%s" %
str(editableStyleSheet().LoggerBgColor.getRgb()))
self.clearAction = QAction("Clear", None)
self.clearAction.triggered.connect(self.clearView)
self.logView.addAction(self.clearAction)
self.logView.anchorClicked.connect(self.anchorClickedMethod)
self.logView.setTextColor(QtGui.QColor('white'))
self.setWidget(self.logView)
#####################################################
# Sys Output Redirection
#####################################################
self.handler = None
if REDIRECT:
self.handler = QtHandler(self)
else:
self.handler = logging.StreamHandler(sys.stdout)
self.handler.setFormatter(LoggerTool.formater)
logger.addHandler(self.handler)
logger.setLevel(logging.DEBUG)
sys.excepthook = LoggerTool.exceptHook
if self.handler and REDIRECT:
self.handler.messageHolder.messageWritten.connect(
lambda value: self.logPython(value, 0))
self.handler.messageHolder.warningWritten.connect(
lambda value: self.logPython(value, 1))
self.handler.messageHolder.errorWritten.connect(
lambda value: self.logPython(value, 2))
self.handler.messageHolder.flushSig.connect(self.flushPython)
def onUpdatePropertyView(self, formLayout):
# name
le_name = QLineEdit(self.getName())
le_name.setReadOnly(True)
if self.label().IsRenamable():
le_name.setReadOnly(False)
le_name.returnPressed.connect(lambda: self.setName(le_name.text()))
formLayout.addRow("Name", le_name)
# uid
leUid = QLineEdit(str(self.uid))
leUid.setReadOnly(True)
formLayout.addRow("Uuid", leUid)
# type
leType = QLineEdit(self.__class__.__name__)
leType.setReadOnly(True)
formLayout.addRow("Type", leType)
# pos
le_pos = QLineEdit("{0} x {1}".format(self.pos().x(), self.pos().y()))
formLayout.addRow("Pos", le_pos)
pb = QPushButton("...")
pb.clicked.connect(self.onChangeColor)
formLayout.addRow("Color", pb)
doc_lb = QLabel()
doc_lb.setStyleSheet("background-color: black;")
doc_lb.setText("Description")
formLayout.addRow("", doc_lb)
doc = QTextBrowser()
doc.setOpenExternalLinks(True)
doc.setHtml(self.description())
formLayout.addRow("", doc)
def _build_ui(self):
#each group has an empty widget at the bottom so they resize the way I want while also having the
#labels where I want them
layout = QGridLayout()
self.tab_widget = QTabWidget()
layout.addWidget(self.tab_widget)
#layout for absolute thermo stuff
absolute_widget = QWidget()
absolute_layout = QGridLayout(absolute_widget)
#box for sp
sp_area_widget = QGroupBox("Single-point")
sp_layout = QFormLayout(sp_area_widget)
self.sp_selector = FilereaderComboBox(self.session,
otherItems=['energy'])
self.sp_selector.currentIndexChanged.connect(self.set_sp)
sp_layout.addRow(self.sp_selector)
self.sp_table = QTableWidget()
self.sp_table.setColumnCount(3)
self.sp_table.setShowGrid(False)
self.sp_table.horizontalHeader().hide()
self.sp_table.verticalHeader().hide()
self.sp_table.setFrameShape(QTableWidget.NoFrame)
self.sp_table.setSelectionMode(QTableWidget.NoSelection)
self.sp_table.insertRow(0)
sp_layout.addRow(self.sp_table)
#box for thermo
therm_area_widget = QGroupBox("Thermal corrections")
thermo_layout = QFormLayout(therm_area_widget)
self.thermo_selector = FilereaderComboBox(self.session,
otherItems=['frequency'])
self.thermo_selector.currentIndexChanged.connect(self.set_thermo_mdl)
thermo_layout.addRow(self.thermo_selector)
self.temperature_line = QDoubleSpinBox()
self.temperature_line.setMaximum(2**31 - 1)
self.temperature_line.setValue(298.15)
self.temperature_line.setSingleStep(10)
self.temperature_line.setSuffix(" K")
self.temperature_line.setMinimum(0)
self.temperature_line.valueChanged.connect(self.set_thermo)
thermo_layout.addRow("T =", self.temperature_line)
self.v0_edit = QDoubleSpinBox()
self.v0_edit.setMaximum(4000)
self.v0_edit.setValue(self.settings.w0)
self.v0_edit.setSingleStep(25)
self.v0_edit.setSuffix(" cm\u207b\u00b9")
self.v0_edit.valueChanged.connect(self.set_thermo)
self.v0_edit.setMinimum(0)
self.v0_edit.setToolTip(
"frequency parameter for quasi treatments of entropy")
thermo_layout.addRow("𝜔<sub>0</sub> =", self.v0_edit)
self.thermo_table = QTableWidget()
self.thermo_table.setColumnCount(3)
self.thermo_table.setShowGrid(False)
self.thermo_table.horizontalHeader().hide()
self.thermo_table.verticalHeader().hide()
self.thermo_table.setFrameShape(QTableWidget.NoFrame)
self.thermo_table.setSelectionMode(QTableWidget.NoSelection)
thermo_layout.addRow(self.thermo_table)
# for for total
sum_area_widget = QGroupBox("Thermochemistry")
sum_layout = QFormLayout(sum_area_widget)
self.sum_table = QTableWidget()
self.sum_table.setColumnCount(3)
self.sum_table.setShowGrid(False)
self.sum_table.horizontalHeader().hide()
self.sum_table.verticalHeader().hide()
self.sum_table.setFrameShape(QTableWidget.NoFrame)
self.sum_table.setSelectionMode(QTableWidget.NoSelection)
sum_layout.addRow(self.sum_table)
splitter = QSplitter(Qt.Horizontal)
splitter.setChildrenCollapsible(False)
splitter.addWidget(sp_area_widget)
splitter.addWidget(therm_area_widget)
splitter.addWidget(sum_area_widget)
absolute_layout.addWidget(splitter)
self.status = QStatusBar()
self.status.setSizeGripEnabled(False)
self.status.setStyleSheet("color: red")
absolute_layout.addWidget(self.status, 1, 0, 1, 1, Qt.AlignTop)
self.tab_widget.addTab(absolute_widget, "absolute")
relative_widget = QWidget()
relative_layout = QGridLayout(relative_widget)
size = [self.settings.ref_col_1, self.settings.ref_col_2]
self.ref_group = ThermoGroup("reference group", self.session,
self.nrg_fr, self.thermo_co, size)
self.ref_group.changes.connect(self.calc_relative_thermo)
relative_layout.addWidget(self.ref_group, 0, 0, 1, 3, Qt.AlignTop)
size = [self.settings.other_col_1, self.settings.other_col_2]
self.other_group = ThermoGroup("other group", self.session,
self.nrg_fr, self.thermo_co, size)
self.other_group.changes.connect(self.calc_relative_thermo)
relative_layout.addWidget(self.other_group, 0, 3, 1, 3, Qt.AlignTop)
self.relative_temperature = QDoubleSpinBox()
self.relative_temperature.setMaximum(2**31 - 1)
self.relative_temperature.setValue(self.settings.rel_temp)
self.relative_temperature.setSingleStep(10)
self.relative_temperature.setSuffix(" K")
self.relative_temperature.setMinimum(0)
self.relative_temperature.valueChanged.connect(
self.calc_relative_thermo)
relative_layout.addWidget(QLabel("T ="), 1, 0, 1, 1,
Qt.AlignRight | Qt.AlignVCenter)
relative_layout.addWidget(self.relative_temperature, 1, 1, 1, 5,
Qt.AlignLeft | Qt.AlignVCenter)
self.relative_v0 = QDoubleSpinBox()
self.relative_v0.setMaximum(2**31 - 1)
self.relative_v0.setValue(self.settings.w0)
self.relative_v0.setSingleStep(25)
self.relative_v0.setSuffix(" cm\u207b\u00b9")
self.relative_v0.setMinimum(0)
self.relative_v0.setToolTip(
"frequency parameter for quasi treatments of entropy")
self.relative_v0.valueChanged.connect(self.calc_relative_thermo)
relative_layout.addWidget(QLabel("𝜔<sub>0</sub> ="), 2, 0, 1, 1,
Qt.AlignRight | Qt.AlignVCenter)
relative_layout.addWidget(self.relative_v0, 2, 1, 1, 5,
Qt.AlignLeft | Qt.AlignVCenter)
relative_layout.addWidget(
QLabel("Boltzmann-weighted relative energies in kcal/mol:"), 3, 0,
1, 6, Qt.AlignVCenter | Qt.AlignLeft)
self.relative_table = QTextBrowser()
self.relative_table.setMaximumHeight(
4 * self.relative_table.fontMetrics().boundingRect("Q").height())
relative_layout.addWidget(self.relative_table, 4, 0, 1, 6, Qt.AlignTop)
relative_layout.setRowStretch(0, 1)
relative_layout.setRowStretch(1, 0)
relative_layout.setRowStretch(2, 0)
relative_layout.setRowStretch(3, 0)
relative_layout.setRowStretch(4, 0)
self.tab_widget.addTab(relative_widget, "relative")
#menu stuff
menu = QMenuBar()
export = menu.addMenu("&Export")
copy = QAction("&Copy CSV to clipboard", self.tool_window.ui_area)
copy.triggered.connect(self.copy_csv)
shortcut = QKeySequence(Qt.CTRL + Qt.Key_C)
copy.setShortcut(shortcut)
export.addAction(copy)
self.copy = copy
save = QAction("&Save CSV...", self.tool_window.ui_area)
save.triggered.connect(self.save_csv)
#this shortcut interferes with main window's save shortcut
#I've tried different shortcut contexts to no avail
#thanks Qt...
#shortcut = QKeySequence(Qt.CTRL + Qt.Key_S)
#save.setShortcut(shortcut)
#save.setShortcutContext(Qt.WidgetShortcut)
export.addAction(save)
delimiter = export.addMenu("Delimiter")
comma = QAction("comma", self.tool_window.ui_area, checkable=True)
comma.setChecked(self.settings.delimiter == "comma")
comma.triggered.connect(lambda *args, delim="comma": self.settings.
__setattr__("delimiter", delim))
delimiter.addAction(comma)
tab = QAction("tab", self.tool_window.ui_area, checkable=True)
tab.setChecked(self.settings.delimiter == "tab")
tab.triggered.connect(lambda *args, delim="tab": self.settings.
__setattr__("delimiter", delim))
delimiter.addAction(tab)
space = QAction("space", self.tool_window.ui_area, checkable=True)
space.setChecked(self.settings.delimiter == "space")
space.triggered.connect(lambda *args, delim="space": self.settings.
__setattr__("delimiter", delim))
delimiter.addAction(space)
semicolon = QAction("semicolon",
self.tool_window.ui_area,
checkable=True)
semicolon.setChecked(self.settings.delimiter == "semicolon")
semicolon.triggered.connect(lambda *args, delim="semicolon": self.
settings.__setattr__("delimiter", delim))
delimiter.addAction(semicolon)
add_header = QAction("&Include CSV header",
self.tool_window.ui_area,
checkable=True)
add_header.setChecked(self.settings.include_header)
add_header.triggered.connect(self.header_check)
export.addAction(add_header)
comma.triggered.connect(
lambda *args, action=tab: action.setChecked(False))
comma.triggered.connect(
lambda *args, action=space: action.setChecked(False))
comma.triggered.connect(
lambda *args, action=semicolon: action.setChecked(False))
tab.triggered.connect(
lambda *args, action=comma: action.setChecked(False))
tab.triggered.connect(
lambda *args, action=space: action.setChecked(False))
tab.triggered.connect(
lambda *args, action=semicolon: action.setChecked(False))
space.triggered.connect(
lambda *args, action=comma: action.setChecked(False))
space.triggered.connect(
lambda *args, action=tab: action.setChecked(False))
space.triggered.connect(
lambda *args, action=semicolon: action.setChecked(False))
semicolon.triggered.connect(
lambda *args, action=comma: action.setChecked(False))
semicolon.triggered.connect(
lambda *args, action=tab: action.setChecked(False))
semicolon.triggered.connect(
lambda *args, action=space: action.setChecked(False))
menu.setNativeMenuBar(False)
self._menu = menu
layout.setMenuBar(menu)
menu.setVisible(True)
self.tool_window.ui_area.setLayout(layout)
self.tool_window.manage(None)