schrodinger.application.matsci.chargegui module¶
Classes to aid in assigning charges to atoms in a GUI
Copyright Schrodinger, LLC. All rights reserved.
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class
schrodinger.application.matsci.chargegui.ChargePropertySelector(label, layout=None, tip=None)¶ Bases:
schrodinger.ui.qt.propertyselector.PropertySelectorMenuA widget that allows the user to pick from a list of properties from a combobox and shows the user the “User” version of the property name (Property Name rather than x_prog_Property_Name)
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__init__(label, layout=None, tip=None)¶ Create a Charge PropertySelector instance
Parameters: - label (str) – The label for the combobox
- layout (QBoxLayout) – The layout to place the SLabeledComboBox into
- tip (str) – The tooltip for the combobox
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setVisible(state)¶ Set the combobox and label visible or hidden
Parameters: state (bool) – Whether to show (True) or hide (False) the widgets
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isVisible()¶ Check if the combobox is visible
Return type: bool Returns: True if visible, False if not
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reset()¶ Reset the combobox
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updateProperties(structs, monomer_charge=True)¶ Fill the combobox with all allowed atom properties available in structs
Parameters: - structs (list or None) – If a list, each item is a
schrodinger.structure.Structureobject. Use None to remove all atom properties but the default - monomer_charge (bool) – If True, monomer charges shows up in the charge combo box.
- structs (list or None) – If a list, each item is a
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getSelectedProp()¶ Return the x_prog_property_name form of the selected property
Return type: str or None Returns: The x_prog_property_name value of the selected property or None if no property is selected
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static
getAllPotentialAtomChargeProperties(structs)¶ Accumulate a list of all numeric atomic properties in all structures, removing any on the NON_CHARGE_PROPS list
Parameters: structs (list) – Each item is a schrodinger.structure.Structureobject.Return type: list Returns: A list of all numeric (r_, i_) atom properties found in structs. The list is sorted alphabetically.
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clear()¶
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getSelected()¶ Return PropertyName object for the selected property, or None.
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select(property)¶ Select the specified property. <property> must be a data name string or a PropertyName object.
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setProperties(proplist)¶ Change the list of properties. ‘proplist’ must be a list of PropertyName objects (from the ‘structure.py’ module) or data names
Parameters: proplist (list of str (data names) or structure.PropertyName.) – A list of properties to show.
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class
schrodinger.application.matsci.chargegui.BasisSetSelector(label, basis_set, tip=None, layout=None)¶ Bases:
schrodinger.ui.qt.swidgets.SFrameA frame that contains a label, read only line edit, toolbutton and pop up widgets for specifying a basis set
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__init__(label, basis_set, tip=None, layout=None)¶ Create a BasisSetSelector
Parameters: - label (str) – The label preceeding the edit
- basis_set (str) – The default basis set for the edit
- tip (str) – The tooltip for the entire frame
- layout (QBoxLayout) – The layout to place the frame in
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reset()¶ Reset the widgets
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getBasis()¶ Get the current basis set
Return type: str Returns: The specified basis set
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setStructure(struct)¶ Set the structure for the basis set edit to determine valid basis sets
Parameters: struct ( schrodinger.structure.Structure) – The structure to use for checking basis sets
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validate()¶ Check if all widgets are in allowed states
Return type: (False, msg) or True Returns: False and error message if something is wrong, True if everything is OK. Return value is acceptable for an AF2 valiator.
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Box= 1¶
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DrawChildren= 2¶
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DrawWindowBackground= 1¶
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HLine= 4¶
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IgnoreMask= 4¶
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NoFrame= 0¶
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class
PaintDeviceMetric¶ Bases:
int-
__init__= <method-wrapper '__init__' of sip.enumtype object at 0x2d58b20>¶
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Panel= 2¶
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PdmDepth= 6¶
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PdmDevicePixelRatio= 11¶
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PdmDevicePixelRatioScaled= 12¶
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PdmDpiX= 7¶
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PdmDpiY= 8¶
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PdmHeight= 2¶
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PdmHeightMM= 4¶
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PdmNumColors= 5¶
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PdmPhysicalDpiX= 9¶
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PdmPhysicalDpiY= 10¶
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PdmWidth= 1¶
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PdmWidthMM= 3¶
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Plain= 16¶
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Raised= 32¶
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class
RenderFlag¶ Bases:
int-
__init__= <method-wrapper '__init__' of sip.enumtype object at 0x2c0f9e0>¶
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class
RenderFlags¶ Bases:
sip.simplewrapperQWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)
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__init__¶ Initialize self. See help(type(self)) for accurate signature.
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class
Shadow¶ Bases:
int-
__init__= <method-wrapper '__init__' of sip.enumtype object at 0x4717d90>¶
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Shadow_Mask= 240¶
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Shape_Mask= 15¶
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class
StyleMask¶ Bases:
int-
__init__= <method-wrapper '__init__' of sip.enumtype object at 0x4718510>¶
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StyledPanel= 6¶
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Sunken= 48¶
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VLine= 5¶
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WinPanel= 3¶
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acceptDrops(self) → bool¶
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accessibleDescription(self) → str¶
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accessibleName(self) → str¶
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actionEvent(self, QActionEvent)¶
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actions(self) → List[QAction]¶
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activateWindow(self)¶
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addAction(self, QAction)¶
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addActions(self, Iterable[QAction])¶
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addStretch()¶ Add stretch to the frame layout.
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addWidget(widget)¶ Add widget to the frame layout.
Parameters: widget (QWidget) – Widget to place on the layout
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adjustSize(self)¶
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autoFillBackground(self) → bool¶
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backgroundRole(self) → QPalette.ColorRole¶
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baseSize(self) → QSize¶
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blockSignals(self, bool) → bool¶
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changeEvent(self, QEvent)¶
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childAt(self, QPoint) → QWidget¶ childAt(self, int, int) -> QWidget
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childEvent(self, QChildEvent)¶
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children(self) → List[QObject]¶
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childrenRect(self) → QRect¶
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childrenRegion(self) → QRegion¶
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clearFocus(self)¶
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clearMask(self)¶
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close(self) → bool¶
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closeEvent(self, QCloseEvent)¶
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colorCount(self) → int¶
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connectNotify(self, QMetaMethod)¶
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contentsMargins(self) → QMargins¶
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contentsRect(self) → QRect¶
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contextMenuEvent(self, QContextMenuEvent)¶
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contextMenuPolicy(self) → Qt.ContextMenuPolicy¶
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create(self, window: sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)¶
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createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget¶
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cursor(self) → QCursor¶
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customContextMenuRequested¶ customContextMenuRequested(self, QPoint) [signal]
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customEvent(self, QEvent)¶
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deleteLater(self)¶
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depth(self) → int¶
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destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)¶
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destroyed¶ destroyed(self, object: QObject = None) [signal]
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devType(self) → int¶
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devicePixelRatio(self) → int¶
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devicePixelRatioF(self) → float¶
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devicePixelRatioFScale() → float¶
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disconnect(self)¶
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disconnectNotify(self, QMetaMethod)¶
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dragEnterEvent(self, QDragEnterEvent)¶
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dragLeaveEvent(self, QDragLeaveEvent)¶
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dragMoveEvent(self, QDragMoveEvent)¶
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drawFrame(self, QPainter)¶
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dropEvent(self, QDropEvent)¶
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dumpObjectInfo(self)¶
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dumpObjectTree(self)¶
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dynamicPropertyNames(self) → List[QByteArray]¶
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effectiveWinId(self) → sip.voidptr¶
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ensurePolished(self)¶
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enterEvent(self, QEvent)¶
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event(self, QEvent) → bool¶
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eventFilter(self, QObject, QEvent) → bool¶
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find(sip.voidptr) → QWidget¶
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findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject¶ findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject
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findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]¶ findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]
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focusInEvent(self, QFocusEvent)¶
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focusNextChild(self) → bool¶
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focusNextPrevChild(self, bool) → bool¶
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focusOutEvent(self, QFocusEvent)¶
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focusPolicy(self) → Qt.FocusPolicy¶
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focusPreviousChild(self) → bool¶
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focusProxy(self) → QWidget¶
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focusWidget(self) → QWidget¶
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font(self) → QFont¶
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fontInfo(self) → QFontInfo¶
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fontMetrics(self) → QFontMetrics¶
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foregroundRole(self) → QPalette.ColorRole¶
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frameGeometry(self) → QRect¶
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frameRect(self) → QRect¶
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frameShadow(self) → QFrame.Shadow¶
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frameShape(self) → QFrame.Shape¶
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frameSize(self) → QSize¶
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frameStyle(self) → int¶
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frameWidth(self) → int¶
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geometry(self) → QRect¶
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getContentsMargins(self) → Tuple[int, int, int, int]¶
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grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(-1, -1))) → QPixmap¶
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grabGesture(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())¶
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grabKeyboard(self)¶
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grabMouse(self)¶ grabMouse(self, Union[QCursor, Qt.CursorShape])
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grabShortcut(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int¶
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graphicsEffect(self) → QGraphicsEffect¶
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graphicsProxyWidget(self) → QGraphicsProxyWidget¶
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hasFocus(self) → bool¶
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hasHeightForWidth(self) → bool¶
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hasMouseTracking(self) → bool¶
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hasTabletTracking(self) → bool¶
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height(self) → int¶
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heightForWidth(self, int) → int¶
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heightMM(self) → int¶
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hide(self)¶
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hideEvent(self, QHideEvent)¶
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inherits(self, str) → bool¶
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initPainter(self, QPainter)¶
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initStyleOption(self, QStyleOptionFrame)¶
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inputMethodEvent(self, QInputMethodEvent)¶
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inputMethodHints(self) → Qt.InputMethodHints¶
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inputMethodQuery(self, Qt.InputMethodQuery) → Any¶
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insertAction(self, QAction, QAction)¶
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insertActions(self, QAction, Iterable[QAction])¶
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installEventFilter(self, QObject)¶
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isActiveWindow(self) → bool¶
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isAncestorOf(self, QWidget) → bool¶
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isEnabled(self) → bool¶
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isEnabledTo(self, QWidget) → bool¶
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isFullScreen(self) → bool¶
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isHidden(self) → bool¶
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isLeftToRight(self) → bool¶
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isMaximized(self) → bool¶
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isMinimized(self) → bool¶
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isModal(self) → bool¶
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isRightToLeft(self) → bool¶
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isSignalConnected(self, QMetaMethod) → bool¶
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isVisible(self) → bool¶
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isVisibleTo(self, QWidget) → bool¶
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isWidgetType(self) → bool¶
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isWindow(self) → bool¶
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isWindowModified(self) → bool¶
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isWindowType(self) → bool¶
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keyPressEvent(self, QKeyEvent)¶
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keyReleaseEvent(self, QKeyEvent)¶
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keyboardGrabber() → QWidget¶
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killTimer(self, int)¶
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layout(self) → QLayout¶
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layoutDirection(self) → Qt.LayoutDirection¶
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leaveEvent(self, QEvent)¶
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lineWidth(self) → int¶
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locale(self) → QLocale¶
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logicalDpiX(self) → int¶
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logicalDpiY(self) → int¶
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lower(self)¶
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mapFrom(self, QWidget, QPoint) → QPoint¶
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mapFromGlobal(self, QPoint) → QPoint¶
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mapFromParent(self, QPoint) → QPoint¶
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mapTo(self, QWidget, QPoint) → QPoint¶
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mapToGlobal(self, QPoint) → QPoint¶
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mapToParent(self, QPoint) → QPoint¶
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mask(self) → QRegion¶
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maximumHeight(self) → int¶
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maximumSize(self) → QSize¶
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maximumWidth(self) → int¶
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metaObject(self) → QMetaObject¶
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metric(self, QPaintDevice.PaintDeviceMetric) → int¶
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midLineWidth(self) → int¶
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minimumHeight(self) → int¶
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minimumSize(self) → QSize¶
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minimumSizeHint(self) → QSize¶
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minimumWidth(self) → int¶
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mouseDoubleClickEvent(self, QMouseEvent)¶
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mouseGrabber() → QWidget¶
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mouseMoveEvent(self, QMouseEvent)¶
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mousePressEvent(self, QMouseEvent)¶
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mouseReleaseEvent(self, QMouseEvent)¶
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move(self, QPoint)¶ move(self, int, int)
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moveEvent(self, QMoveEvent)¶
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moveToThread(self, QThread)¶
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nativeEvent(self, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]¶
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nativeParentWidget(self) → QWidget¶
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nextInFocusChain(self) → QWidget¶
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normalGeometry(self) → QRect¶
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objectName(self) → str¶
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objectNameChanged¶ objectNameChanged(self, str) [signal]
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overrideWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])¶
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overrideWindowState(self, Union[Qt.WindowStates, Qt.WindowState])¶
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paintEngine(self) → QPaintEngine¶
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paintEvent(self, QPaintEvent)¶
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paintingActive(self) → bool¶
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palette(self) → QPalette¶
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parent(self) → QObject¶
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parentWidget(self) → QWidget¶
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physicalDpiX(self) → int¶
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physicalDpiY(self) → int¶
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pos(self) → QPoint¶
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previousInFocusChain(self) → QWidget¶
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property(self, str) → Any¶
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pyqtConfigure(...)¶ Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.
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raise_(self)¶
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receivers(self, PYQT_SIGNAL) → int¶
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rect(self) → QRect¶
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releaseKeyboard(self)¶
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releaseMouse(self)¶
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releaseShortcut(self, int)¶
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removeAction(self, QAction)¶
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removeEventFilter(self, QObject)¶
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render(self, QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))¶ render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))
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repaint(self)¶ repaint(self, int, int, int, int) repaint(self, QRect) repaint(self, QRegion)
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resize(self, QSize)¶ resize(self, int, int)
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resizeEvent(self, QResizeEvent)¶
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restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool¶
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saveGeometry(self) → QByteArray¶
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scroll(self, int, int)¶ scroll(self, int, int, QRect)
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sender(self) → QObject¶
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senderSignalIndex(self) → int¶
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setAcceptDrops(self, bool)¶
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setAccessibleDescription(self, str)¶
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setAccessibleName(self, str)¶
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setAttribute(self, Qt.WidgetAttribute, on: bool = True)¶
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setAutoFillBackground(self, bool)¶
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setBackgroundRole(self, QPalette.ColorRole)¶
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setBaseSize(self, int, int)¶ setBaseSize(self, QSize)
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setContentsMargins(self, int, int, int, int)¶ setContentsMargins(self, QMargins)
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setContextMenuPolicy(self, Qt.ContextMenuPolicy)¶
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setCursor(self, Union[QCursor, Qt.CursorShape])¶
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setDisabled(self, bool)¶
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setEnabled(self, bool)¶
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setFixedHeight(self, int)¶
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setFixedSize(self, QSize)¶ setFixedSize(self, int, int)
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setFixedWidth(self, int)¶
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setFocus(self)¶ setFocus(self, Qt.FocusReason)
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setFocusPolicy(self, Qt.FocusPolicy)¶
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setFocusProxy(self, QWidget)¶
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setFont(self, QFont)¶
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setForegroundRole(self, QPalette.ColorRole)¶
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setFrameRect(self, QRect)¶
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setFrameShadow(self, QFrame.Shadow)¶
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setFrameShape(self, QFrame.Shape)¶
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setFrameStyle(self, int)¶
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setGeometry(self, QRect)¶ setGeometry(self, int, int, int, int)
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setGraphicsEffect(self, QGraphicsEffect)¶
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setHidden(self, bool)¶
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setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])¶
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setLayout(self, QLayout)¶
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setLayoutDirection(self, Qt.LayoutDirection)¶
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setLineWidth(self, int)¶
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setLocale(self, QLocale)¶
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setMask(self, QBitmap)¶ setMask(self, QRegion)
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setMaximumHeight(self, int)¶
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setMaximumSize(self, int, int)¶ setMaximumSize(self, QSize)
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setMaximumWidth(self, int)¶
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setMidLineWidth(self, int)¶
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setMinimumHeight(self, int)¶
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setMinimumSize(self, int, int)¶ setMinimumSize(self, QSize)
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setMinimumWidth(self, int)¶
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setMouseTracking(self, bool)¶
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setObjectName(self, str)¶
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setPalette(self, QPalette)¶
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setParent(self, QWidget)¶ setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType])
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setProperty(self, str, Any) → bool¶
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setShortcutAutoRepeat(self, int, enabled: bool = True)¶
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setShortcutEnabled(self, int, enabled: bool = True)¶
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setSizeIncrement(self, int, int)¶ setSizeIncrement(self, QSize)
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setSizePolicy(self, QSizePolicy)¶ setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy)
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setStatusTip(self, str)¶
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setStyle(self, QStyle)¶
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setStyleSheet(self, str)¶
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setTabOrder(QWidget, QWidget)¶
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setTabletTracking(self, bool)¶
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setToolTip(self, str)¶
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setToolTipDuration(self, int)¶
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setUpdatesEnabled(self, bool)¶
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setVisible(self, bool)¶
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setWhatsThis(self, str)¶
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setWindowFilePath(self, str)¶
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setWindowFlag(self, Qt.WindowType, on: bool = True)¶
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setWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])¶
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setWindowIcon(self, QIcon)¶
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setWindowIconText(self, str)¶
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setWindowModality(self, Qt.WindowModality)¶
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setWindowModified(self, bool)¶
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setWindowOpacity(self, float)¶
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setWindowRole(self, str)¶
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setWindowState(self, Union[Qt.WindowStates, Qt.WindowState])¶
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setWindowTitle(self, str)¶
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show(self)¶
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showEvent(self, QShowEvent)¶
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showFullScreen(self)¶
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showMaximized(self)¶
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showMinimized(self)¶
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showNormal(self)¶
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signalsBlocked(self) → bool¶
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size(self) → QSize¶
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sizeHint(self) → QSize¶
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sizeIncrement(self) → QSize¶
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sizePolicy(self) → QSizePolicy¶
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stackUnder(self, QWidget)¶
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startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
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staticMetaObject= <PyQt5.QtCore.QMetaObject object>¶
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statusTip(self) → str¶
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style(self) → QStyle¶
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styleSheet(self) → str¶
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tabletEvent(self, QTabletEvent)¶
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testAttribute(self, Qt.WidgetAttribute) → bool¶
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thread(self) → QThread¶
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timerEvent(self, QTimerEvent)¶
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toolTip(self) → str¶
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toolTipDuration(self) → int¶
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tr(self, str, disambiguation: str = None, n: int = -1) → str¶
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underMouse(self) → bool¶
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ungrabGesture(self, Qt.GestureType)¶
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unsetCursor(self)¶
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unsetLayoutDirection(self)¶
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unsetLocale(self)¶
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update(self)¶ update(self, QRect) update(self, QRegion) update(self, int, int, int, int)
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updateGeometry(self)¶
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updateMicroFocus(self)¶
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updatesEnabled(self) → bool¶
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visibleRegion(self) → QRegion¶
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whatsThis(self) → str¶
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wheelEvent(self, QWheelEvent)¶
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width(self) → int¶
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widthMM(self) → int¶
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winId(self) → sip.voidptr¶
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window(self) → QWidget¶
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windowFilePath(self) → str¶
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windowFlags(self) → Qt.WindowFlags¶
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windowHandle(self) → QWindow¶
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windowIcon(self) → QIcon¶
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windowIconChanged¶ windowIconChanged(self, QIcon) [signal]
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windowIconText(self) → str¶
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windowIconTextChanged¶ windowIconTextChanged(self, str) [signal]
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windowModality(self) → Qt.WindowModality¶
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windowOpacity(self) → float¶
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windowRole(self) → str¶
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windowState(self) → Qt.WindowStates¶
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windowTitle(self) → str¶
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windowTitleChanged¶ windowTitleChanged(self, str) [signal]
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windowType(self) → Qt.WindowType¶
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x(self) → int¶
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y(self) → int¶
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class
schrodinger.application.matsci.chargegui.NeighborTreatment(quantum=False, label=None, basis_set='3-21G', layout_type='horizontal', **kwargs)¶ Bases:
schrodinger.ui.qt.swidgets.SFrameAn SFrame that contains a set of widgets that allows the user to pick whether neighboring atoms will be dealt with as atoms, existing charges or on-the-fly ESP charges
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__init__(quantum=False, label=None, basis_set='3-21G', layout_type='horizontal', **kwargs)¶ Create a NeighborTreatment instance
Parameters: - quantum (bool) – Whether the option to treat the neighbors as atoms is to be offered
- label (str) – The leading label on the line
- basis_set (str) – The basis set to use by default for quantum and ESP treatments
All other kwargs are passed to the SFrame __init__ method. In particular, pass in the layout keyword to place these widgets into a parent layout.
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methodChanged()¶ React to changing the treatment method
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reset()¶ Reset all the widgets
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updateProperties(structs)¶ Update the available charge properties based on structs
Parameters: structs (list) – A list of structures to pull charge properties from
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validate()¶ Validate that the widgets are in a proper state
Return type: True or (False, msg) Returns: True if everything is OK or (False, msg) if something is wrong. msg will describe the issue. The return value is consistent with af2 validation methods
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getMethod()¶ Get the current treatment method
Return type: str Returns: The selected treatment method
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getBasis()¶ Get the currently selected basis set if the treatment method requires one
Return type: str or None Returns: A current basis set or None if the current treatment does not use a basis set
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getQProp()¶ Get the currently selected charge property if applicable
Return type: str or None Returns: The current charge property or None if the current treatment does not use a charge property (or none is available). The property will be in the x_prog_property_name format.
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getFlags(flag_names=None)¶ Get the command line flags generated by this set of widgets
Parameters: flag_names (dict) – Used to modify flag names to custom values. Keys are default flag names (BASIS_FLAG, USE_Q_FLAG module constants) and values are the new flag string to use. Return type: list Returns: A list of command line flags and values that capture the current state of these widgets.
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Box= 1¶
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DrawChildren= 2¶
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DrawWindowBackground= 1¶
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HLine= 4¶
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IgnoreMask= 4¶
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NoFrame= 0¶
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class
PaintDeviceMetric¶ Bases:
int-
__init__= <method-wrapper '__init__' of sip.enumtype object at 0x2d58b20>¶
-
-
Panel= 2¶
-
PdmDepth= 6¶
-
PdmDevicePixelRatio= 11¶
-
PdmDevicePixelRatioScaled= 12¶
-
PdmDpiX= 7¶
-
PdmDpiY= 8¶
-
PdmHeight= 2¶
-
PdmHeightMM= 4¶
-
PdmNumColors= 5¶
-
PdmPhysicalDpiX= 9¶
-
PdmPhysicalDpiY= 10¶
-
PdmWidth= 1¶
-
PdmWidthMM= 3¶
-
Plain= 16¶
-
Raised= 32¶
-
class
RenderFlag¶ Bases:
int-
__init__= <method-wrapper '__init__' of sip.enumtype object at 0x2c0f9e0>¶
-
-
class
RenderFlags¶ Bases:
sip.simplewrapperQWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)
-
__init__¶ Initialize self. See help(type(self)) for accurate signature.
-
-
class
Shadow¶ Bases:
int-
__init__= <method-wrapper '__init__' of sip.enumtype object at 0x4717d90>¶
-
-
Shadow_Mask= 240¶
-
Shape_Mask= 15¶
-
class
StyleMask¶ Bases:
int-
__init__= <method-wrapper '__init__' of sip.enumtype object at 0x4718510>¶
-
-
StyledPanel= 6¶
-
Sunken= 48¶
-
VLine= 5¶
-
WinPanel= 3¶
-
acceptDrops(self) → bool¶
-
accessibleDescription(self) → str¶
-
accessibleName(self) → str¶
-
actionEvent(self, QActionEvent)¶
-
actions(self) → List[QAction]¶
-
activateWindow(self)¶
-
addAction(self, QAction)¶
-
addActions(self, Iterable[QAction])¶
-
addStretch()¶ Add stretch to the frame layout.
-
addWidget(widget)¶ Add widget to the frame layout.
Parameters: widget (QWidget) – Widget to place on the layout
-
adjustSize(self)¶
-
autoFillBackground(self) → bool¶
-
backgroundRole(self) → QPalette.ColorRole¶
-
baseSize(self) → QSize¶
-
blockSignals(self, bool) → bool¶
-
changeEvent(self, QEvent)¶
-
childAt(self, QPoint) → QWidget¶ childAt(self, int, int) -> QWidget
-
childEvent(self, QChildEvent)¶
-
children(self) → List[QObject]¶
-
childrenRect(self) → QRect¶
-
childrenRegion(self) → QRegion¶
-
clearFocus(self)¶
-
clearMask(self)¶
-
close(self) → bool¶
-
closeEvent(self, QCloseEvent)¶
-
colorCount(self) → int¶
-
connectNotify(self, QMetaMethod)¶
-
contentsMargins(self) → QMargins¶
-
contentsRect(self) → QRect¶
-
contextMenuEvent(self, QContextMenuEvent)¶
-
contextMenuPolicy(self) → Qt.ContextMenuPolicy¶
-
create(self, window: sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)¶
-
createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget¶
-
cursor(self) → QCursor¶
-
customContextMenuRequested¶ customContextMenuRequested(self, QPoint) [signal]
-
customEvent(self, QEvent)¶
-
deleteLater(self)¶
-
depth(self) → int¶
-
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)¶
-
destroyed¶ destroyed(self, object: QObject = None) [signal]
-
devType(self) → int¶
-
devicePixelRatio(self) → int¶
-
devicePixelRatioF(self) → float¶
-
devicePixelRatioFScale() → float¶
-
disconnect(self)¶
-
disconnectNotify(self, QMetaMethod)¶
-
dragEnterEvent(self, QDragEnterEvent)¶
-
dragLeaveEvent(self, QDragLeaveEvent)¶
-
dragMoveEvent(self, QDragMoveEvent)¶
-
drawFrame(self, QPainter)¶
-
dropEvent(self, QDropEvent)¶
-
dumpObjectInfo(self)¶
-
dumpObjectTree(self)¶
-
dynamicPropertyNames(self) → List[QByteArray]¶
-
effectiveWinId(self) → sip.voidptr¶
-
ensurePolished(self)¶
-
enterEvent(self, QEvent)¶
-
event(self, QEvent) → bool¶
-
eventFilter(self, QObject, QEvent) → bool¶
-
find(sip.voidptr) → QWidget¶
-
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject¶ findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject
-
findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]¶ findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]
-
focusInEvent(self, QFocusEvent)¶
-
focusNextChild(self) → bool¶
-
focusNextPrevChild(self, bool) → bool¶
-
focusOutEvent(self, QFocusEvent)¶
-
focusPolicy(self) → Qt.FocusPolicy¶
-
focusPreviousChild(self) → bool¶
-
focusProxy(self) → QWidget¶
-
focusWidget(self) → QWidget¶
-
font(self) → QFont¶
-
fontInfo(self) → QFontInfo¶
-
fontMetrics(self) → QFontMetrics¶
-
foregroundRole(self) → QPalette.ColorRole¶
-
frameGeometry(self) → QRect¶
-
frameRect(self) → QRect¶
-
frameShadow(self) → QFrame.Shadow¶
-
frameShape(self) → QFrame.Shape¶
-
frameSize(self) → QSize¶
-
frameStyle(self) → int¶
-
frameWidth(self) → int¶
-
geometry(self) → QRect¶
-
getContentsMargins(self) → Tuple[int, int, int, int]¶
-
grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(-1, -1))) → QPixmap¶
-
grabGesture(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())¶
-
grabKeyboard(self)¶
-
grabMouse(self)¶ grabMouse(self, Union[QCursor, Qt.CursorShape])
-
grabShortcut(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int¶
-
graphicsEffect(self) → QGraphicsEffect¶
-
graphicsProxyWidget(self) → QGraphicsProxyWidget¶
-
hasFocus(self) → bool¶
-
hasHeightForWidth(self) → bool¶
-
hasMouseTracking(self) → bool¶
-
hasTabletTracking(self) → bool¶
-
height(self) → int¶
-
heightForWidth(self, int) → int¶
-
heightMM(self) → int¶
-
hide(self)¶
-
hideEvent(self, QHideEvent)¶
-
inherits(self, str) → bool¶
-
initPainter(self, QPainter)¶
-
initStyleOption(self, QStyleOptionFrame)¶
-
inputMethodEvent(self, QInputMethodEvent)¶
-
inputMethodHints(self) → Qt.InputMethodHints¶
-
inputMethodQuery(self, Qt.InputMethodQuery) → Any¶
-
insertAction(self, QAction, QAction)¶
-
insertActions(self, QAction, Iterable[QAction])¶
-
installEventFilter(self, QObject)¶
-
isActiveWindow(self) → bool¶
-
isAncestorOf(self, QWidget) → bool¶
-
isEnabled(self) → bool¶
-
isEnabledTo(self, QWidget) → bool¶
-
isFullScreen(self) → bool¶
-
isHidden(self) → bool¶
-
isLeftToRight(self) → bool¶
-
isMaximized(self) → bool¶
-
isMinimized(self) → bool¶
-
isModal(self) → bool¶
-
isRightToLeft(self) → bool¶
-
isSignalConnected(self, QMetaMethod) → bool¶
-
isVisible(self) → bool¶
-
isVisibleTo(self, QWidget) → bool¶
-
isWidgetType(self) → bool¶
-
isWindow(self) → bool¶
-
isWindowModified(self) → bool¶
-
isWindowType(self) → bool¶
-
keyPressEvent(self, QKeyEvent)¶
-
keyReleaseEvent(self, QKeyEvent)¶
-
keyboardGrabber() → QWidget¶
-
killTimer(self, int)¶
-
layout(self) → QLayout¶
-
layoutDirection(self) → Qt.LayoutDirection¶
-
leaveEvent(self, QEvent)¶
-
lineWidth(self) → int¶
-
locale(self) → QLocale¶
-
logicalDpiX(self) → int¶
-
logicalDpiY(self) → int¶
-
lower(self)¶
-
mapFrom(self, QWidget, QPoint) → QPoint¶
-
mapFromGlobal(self, QPoint) → QPoint¶
-
mapFromParent(self, QPoint) → QPoint¶
-
mapTo(self, QWidget, QPoint) → QPoint¶
-
mapToGlobal(self, QPoint) → QPoint¶
-
mapToParent(self, QPoint) → QPoint¶
-
mask(self) → QRegion¶
-
maximumHeight(self) → int¶
-
maximumSize(self) → QSize¶
-
maximumWidth(self) → int¶
-
metaObject(self) → QMetaObject¶
-
metric(self, QPaintDevice.PaintDeviceMetric) → int¶
-
midLineWidth(self) → int¶
-
minimumHeight(self) → int¶
-
minimumSize(self) → QSize¶
-
minimumSizeHint(self) → QSize¶
-
minimumWidth(self) → int¶
-
mouseDoubleClickEvent(self, QMouseEvent)¶
-
mouseGrabber() → QWidget¶
-
mouseMoveEvent(self, QMouseEvent)¶
-
mousePressEvent(self, QMouseEvent)¶
-
mouseReleaseEvent(self, QMouseEvent)¶
-
move(self, QPoint)¶ move(self, int, int)
-
moveEvent(self, QMoveEvent)¶
-
moveToThread(self, QThread)¶
-
nativeEvent(self, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]¶
-
nativeParentWidget(self) → QWidget¶
-
nextInFocusChain(self) → QWidget¶
-
normalGeometry(self) → QRect¶
-
objectName(self) → str¶
-
objectNameChanged¶ objectNameChanged(self, str) [signal]
-
overrideWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])¶
-
overrideWindowState(self, Union[Qt.WindowStates, Qt.WindowState])¶
-
paintEngine(self) → QPaintEngine¶
-
paintEvent(self, QPaintEvent)¶
-
paintingActive(self) → bool¶
-
palette(self) → QPalette¶
-
parent(self) → QObject¶
-
parentWidget(self) → QWidget¶
-
physicalDpiX(self) → int¶
-
physicalDpiY(self) → int¶
-
pos(self) → QPoint¶
-
previousInFocusChain(self) → QWidget¶
-
property(self, str) → Any¶
-
pyqtConfigure(...)¶ Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.
-
raise_(self)¶
-
receivers(self, PYQT_SIGNAL) → int¶
-
rect(self) → QRect¶
-
releaseKeyboard(self)¶
-
releaseMouse(self)¶
-
releaseShortcut(self, int)¶
-
removeAction(self, QAction)¶
-
removeEventFilter(self, QObject)¶
-
render(self, QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))¶ render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))
-
repaint(self)¶ repaint(self, int, int, int, int) repaint(self, QRect) repaint(self, QRegion)
-
resize(self, QSize)¶ resize(self, int, int)
-
resizeEvent(self, QResizeEvent)¶
-
restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool¶
-
saveGeometry(self) → QByteArray¶
-
scroll(self, int, int)¶ scroll(self, int, int, QRect)
-
sender(self) → QObject¶
-
senderSignalIndex(self) → int¶
-
setAcceptDrops(self, bool)¶
-
setAccessibleDescription(self, str)¶
-
setAccessibleName(self, str)¶
-
setAttribute(self, Qt.WidgetAttribute, on: bool = True)¶
-
setAutoFillBackground(self, bool)¶
-
setBackgroundRole(self, QPalette.ColorRole)¶
-
setBaseSize(self, int, int)¶ setBaseSize(self, QSize)
-
setContentsMargins(self, int, int, int, int)¶ setContentsMargins(self, QMargins)
-
setContextMenuPolicy(self, Qt.ContextMenuPolicy)¶
-
setCursor(self, Union[QCursor, Qt.CursorShape])¶
-
setDisabled(self, bool)¶
-
setEnabled(self, bool)¶
-
setFixedHeight(self, int)¶
-
setFixedSize(self, QSize)¶ setFixedSize(self, int, int)
-
setFixedWidth(self, int)¶
-
setFocus(self)¶ setFocus(self, Qt.FocusReason)
-
setFocusPolicy(self, Qt.FocusPolicy)¶
-
setFocusProxy(self, QWidget)¶
-
setFont(self, QFont)¶
-
setForegroundRole(self, QPalette.ColorRole)¶
-
setFrameRect(self, QRect)¶
-
setFrameShadow(self, QFrame.Shadow)¶
-
setFrameShape(self, QFrame.Shape)¶
-
setFrameStyle(self, int)¶
-
setGeometry(self, QRect)¶ setGeometry(self, int, int, int, int)
-
setGraphicsEffect(self, QGraphicsEffect)¶
-
setHidden(self, bool)¶
-
setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])¶
-
setLayout(self, QLayout)¶
-
setLayoutDirection(self, Qt.LayoutDirection)¶
-
setLineWidth(self, int)¶
-
setLocale(self, QLocale)¶
-
setMask(self, QBitmap)¶ setMask(self, QRegion)
-
setMaximumHeight(self, int)¶
-
setMaximumSize(self, int, int)¶ setMaximumSize(self, QSize)
-
setMaximumWidth(self, int)¶
-
setMidLineWidth(self, int)¶
-
setMinimumHeight(self, int)¶
-
setMinimumSize(self, int, int)¶ setMinimumSize(self, QSize)
-
setMinimumWidth(self, int)¶
-
setMouseTracking(self, bool)¶
-
setObjectName(self, str)¶
-
setPalette(self, QPalette)¶
-
setParent(self, QWidget)¶ setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType])
-
setProperty(self, str, Any) → bool¶
-
setShortcutAutoRepeat(self, int, enabled: bool = True)¶
-
setShortcutEnabled(self, int, enabled: bool = True)¶
-
setSizeIncrement(self, int, int)¶ setSizeIncrement(self, QSize)
-
setSizePolicy(self, QSizePolicy)¶ setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy)
-
setStatusTip(self, str)¶
-
setStyle(self, QStyle)¶
-
setStyleSheet(self, str)¶
-
setTabOrder(QWidget, QWidget)¶
-
setTabletTracking(self, bool)¶
-
setToolTip(self, str)¶
-
setToolTipDuration(self, int)¶
-
setUpdatesEnabled(self, bool)¶
-
setVisible(self, bool)¶
-
setWhatsThis(self, str)¶
-
setWindowFilePath(self, str)¶
-
setWindowFlag(self, Qt.WindowType, on: bool = True)¶
-
setWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])¶
-
setWindowIcon(self, QIcon)¶
-
setWindowIconText(self, str)¶
-
setWindowModality(self, Qt.WindowModality)¶
-
setWindowModified(self, bool)¶
-
setWindowOpacity(self, float)¶
-
setWindowRole(self, str)¶
-
setWindowState(self, Union[Qt.WindowStates, Qt.WindowState])¶
-
setWindowTitle(self, str)¶
-
show(self)¶
-
showEvent(self, QShowEvent)¶
-
showFullScreen(self)¶
-
showMaximized(self)¶
-
showMinimized(self)¶
-
showNormal(self)¶
-
signalsBlocked(self) → bool¶
-
size(self) → QSize¶
-
sizeHint(self) → QSize¶
-
sizeIncrement(self) → QSize¶
-
sizePolicy(self) → QSizePolicy¶
-
stackUnder(self, QWidget)¶
-
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject= <PyQt5.QtCore.QMetaObject object>¶
-
statusTip(self) → str¶
-
style(self) → QStyle¶
-
styleSheet(self) → str¶
-
tabletEvent(self, QTabletEvent)¶
-
testAttribute(self, Qt.WidgetAttribute) → bool¶
-
thread(self) → QThread¶
-
timerEvent(self, QTimerEvent)¶
-
toolTip(self) → str¶
-
toolTipDuration(self) → int¶
-
tr(self, str, disambiguation: str = None, n: int = -1) → str¶
-
underMouse(self) → bool¶
-
ungrabGesture(self, Qt.GestureType)¶
-
unsetCursor(self)¶
-
unsetLayoutDirection(self)¶
-
unsetLocale(self)¶
-
update(self)¶ update(self, QRect) update(self, QRegion) update(self, int, int, int, int)
-
updateGeometry(self)¶
-
updateMicroFocus(self)¶
-
updatesEnabled(self) → bool¶
-
visibleRegion(self) → QRegion¶
-
whatsThis(self) → str¶
-
wheelEvent(self, QWheelEvent)¶
-
width(self) → int¶
-
widthMM(self) → int¶
-
winId(self) → sip.voidptr¶
-
window(self) → QWidget¶
-
windowFilePath(self) → str¶
-
windowFlags(self) → Qt.WindowFlags¶
-
windowHandle(self) → QWindow¶
-
windowIcon(self) → QIcon¶
-
windowIconChanged¶ windowIconChanged(self, QIcon) [signal]
-
windowIconText(self) → str¶
-
windowIconTextChanged¶ windowIconTextChanged(self, str) [signal]
-
windowModality(self) → Qt.WindowModality¶
-
windowOpacity(self) → float¶
-
windowRole(self) → str¶
-
windowState(self) → Qt.WindowStates¶
-
windowTitle(self) → str¶
-
windowTitleChanged¶ windowTitleChanged(self, str) [signal]
-
windowType(self) → Qt.WindowType¶
-
x(self) → int¶
-
y(self) → int¶
-
-
class
schrodinger.application.matsci.chargegui.ChargeDialog(master, user_accept_function=None, standard_buttons=None, nonstandard_buttons=None, help_topic='', title=None)¶ Bases:
schrodinger.ui.qt.swidgets.SDialogA dialog that allows the user to choose custom charges for atoms
-
layOut()¶ Lay out the dialog widgets
-
reset()¶ Reset the dialog
-
selectAtoms()¶ Open the select atoms panel to help the user build an ASL for custom-charged atoms
-
testASL(asl=None)¶ Check to see if an ASL is valid
Parameters: asl (str) – The ASL to check Return type: bool Returns: Whether the ASL is valid and matches atoms or not
-
updateProperties(structs)¶ Update the properties in the charge property combobox.
Parameters: structs (list or None) – If a list, each item is a schrodinger.structure.Structureobject. Use None to remove all atom properties but the default
-
accept()¶ Allow the user to close the dialog only if the widgets are in a valid state
-
closeEvent(event)¶ Allow the user to close the dialog via the window manager X button only if the widgets are in a valid state
Parameters: event ( QtGui.QCloseEvent) – The event object from the triggered event
-
validateASL()¶ Check that the custom atom charge ASL is valid. Post a dialog if that ASL is not valid or matches no atoms.
Return type: bool Returns: True if everything is OK, False if validation fails.
-
getCustomChargeInfo()¶ Return the ASL for custom charge atoms and the custom charge property
Return type: (str, str) Returns: The ASL specifying which atoms to charge and the name of the property that stores the custom charges
-
allowAtomSelection(state)¶ Enable/disable the atom selection button
Parameters: state (bool) – The enabled state of the button
-
Accepted= 1¶
-
class
DialogCode¶ Bases:
int-
__init__= <method-wrapper '__init__' of sip.enumtype object at 0x2f2ece0>¶
-
-
DrawChildren= 2¶
-
DrawWindowBackground= 1¶
-
IgnoreMask= 4¶
-
class
PaintDeviceMetric¶ Bases:
int-
__init__= <method-wrapper '__init__' of sip.enumtype object at 0x2d58b20>¶
-
-
PdmDepth= 6¶
-
PdmDevicePixelRatio= 11¶
-
PdmDevicePixelRatioScaled= 12¶
-
PdmDpiX= 7¶
-
PdmDpiY= 8¶
-
PdmHeight= 2¶
-
PdmHeightMM= 4¶
-
PdmNumColors= 5¶
-
PdmPhysicalDpiX= 9¶
-
PdmPhysicalDpiY= 10¶
-
PdmWidth= 1¶
-
PdmWidthMM= 3¶
-
Rejected= 0¶
-
class
RenderFlag¶ Bases:
int-
__init__= <method-wrapper '__init__' of sip.enumtype object at 0x2c0f9e0>¶
-
-
class
RenderFlags¶ Bases:
sip.simplewrapperQWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)
-
__init__¶ Initialize self. See help(type(self)) for accurate signature.
-
-
__init__(master, user_accept_function=None, standard_buttons=None, nonstandard_buttons=None, help_topic='', title=None)¶ Creat an SDialog object
Parameters: - master (QWidget) – The parent of this dialog
- user_accept_function (callable) – A function to call from a custom accept method implemented in a subclass
- standard_buttons (list) – List of standard buttons to add - each item must be a QDialogButtonBox.StandardButton constant (i.e. QDialogButtonBox.Ok). The default if no standard buttons or non-standard buttons are provided is Ok and Cancel.
- nonstandard_buttons (list of (QPushButton, QDialogButtonBox.ButtonRole) tuples) – Each item of the list is a tuple containing an existing button and a ButtonRole such as AcceptRole. The default if no standard buttons or non-standard buttons are provided is Ok and Cancel buttons.
- help_topic (str) – The help topic for this panel. If the help topic is provided a help button will automatically be added to the panel.
- title (str) – The dialog window title
-
acceptDrops(self) → bool¶
-
accepted¶ accepted(self) [signal]
-
accessibleDescription(self) → str¶
-
accessibleName(self) → str¶
-
actionEvent(self, QActionEvent)¶
-
actions(self) → List[QAction]¶
-
activateWindow(self)¶
-
addAction(self, QAction)¶
-
addActions(self, Iterable[QAction])¶
-
adjustSize(self)¶
-
autoFillBackground(self) → bool¶
-
backgroundRole(self) → QPalette.ColorRole¶
-
baseSize(self) → QSize¶
-
blockSignals(self, bool) → bool¶
-
changeEvent(self, QEvent)¶
-
childAt(self, QPoint) → QWidget¶ childAt(self, int, int) -> QWidget
-
childEvent(self, QChildEvent)¶
-
children(self) → List[QObject]¶
-
childrenRect(self) → QRect¶
-
childrenRegion(self) → QRegion¶
-
clearFocus(self)¶
-
clearMask(self)¶
-
close(self) → bool¶
-
colorCount(self) → int¶
-
connectNotify(self, QMetaMethod)¶
-
contentsMargins(self) → QMargins¶
-
contentsRect(self) → QRect¶
-
contextMenuEvent(self, QContextMenuEvent)¶
-
contextMenuPolicy(self) → Qt.ContextMenuPolicy¶
-
create(self, window: sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)¶
-
createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget¶
-
cursor(self) → QCursor¶
-
customContextMenuRequested¶ customContextMenuRequested(self, QPoint) [signal]
-
customEvent(self, QEvent)¶
-
deleteLater(self)¶
-
depth(self) → int¶
-
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)¶
-
destroyed¶ destroyed(self, object: QObject = None) [signal]
-
devType(self) → int¶
-
devicePixelRatio(self) → int¶
-
devicePixelRatioF(self) → float¶
-
devicePixelRatioFScale() → float¶
-
disconnect(self)¶
-
disconnectNotify(self, QMetaMethod)¶
-
done(self, int)¶
-
dragEnterEvent(self, QDragEnterEvent)¶
-
dragLeaveEvent(self, QDragLeaveEvent)¶
-
dragMoveEvent(self, QDragMoveEvent)¶
-
dropEvent(self, QDropEvent)¶
-
dumpObjectInfo(self)¶
-
dumpObjectTree(self)¶
-
dynamicPropertyNames(self) → List[QByteArray]¶
-
effectiveWinId(self) → sip.voidptr¶
-
ensurePolished(self)¶
-
enterEvent(self, QEvent)¶
-
error(msg)¶ Display an error dialog with a message
Parameters: msg (str) – The message to display in the error dialog
-
event(self, QEvent) → bool¶
-
eventFilter(self, QObject, QEvent) → bool¶
-
exec(self) → int¶
-
exec_(self) → int¶
-
find(sip.voidptr) → QWidget¶
-
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject¶ findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject
-
findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]¶ findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]
-
finished¶ finished(self, int) [signal]
-
focusInEvent(self, QFocusEvent)¶
-
focusNextChild(self) → bool¶
-
focusNextPrevChild(self, bool) → bool¶
-
focusOutEvent(self, QFocusEvent)¶
-
focusPolicy(self) → Qt.FocusPolicy¶
-
focusPreviousChild(self) → bool¶
-
focusProxy(self) → QWidget¶
-
focusWidget(self) → QWidget¶
-
font(self) → QFont¶
-
fontInfo(self) → QFontInfo¶
-
fontMetrics(self) → QFontMetrics¶
-
foregroundRole(self) → QPalette.ColorRole¶
-
frameGeometry(self) → QRect¶
-
frameSize(self) → QSize¶
-
geometry(self) → QRect¶
-
getContentsMargins(self) → Tuple[int, int, int, int]¶
-
giveHelp()¶ Display the help topic for this dialog
-
grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(-1, -1))) → QPixmap¶
-
grabGesture(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())¶
-
grabKeyboard(self)¶
-
grabMouse(self)¶ grabMouse(self, Union[QCursor, Qt.CursorShape])
-
grabShortcut(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int¶
-
graphicsEffect(self) → QGraphicsEffect¶
-
graphicsProxyWidget(self) → QGraphicsProxyWidget¶
-
hasFocus(self) → bool¶
-
hasHeightForWidth(self) → bool¶
-
hasMouseTracking(self) → bool¶
-
hasTabletTracking(self) → bool¶
-
height(self) → int¶
-
heightForWidth(self, int) → int¶
-
heightMM(self) → int¶
-
hide(self)¶
-
hideEvent(self, QHideEvent)¶
-
info(msg)¶ Display an information dialog with a message
Parameters: msg (str) – The message to display in the information dialog
-
inherits(self, str) → bool¶
-
initPainter(self, QPainter)¶
-
inputMethodEvent(self, QInputMethodEvent)¶
-
inputMethodHints(self) → Qt.InputMethodHints¶
-
inputMethodQuery(self, Qt.InputMethodQuery) → Any¶
-
insertAction(self, QAction, QAction)¶
-
insertActions(self, QAction, Iterable[QAction])¶
-
installEventFilter(self, QObject)¶
-
isActiveWindow(self) → bool¶
-
isAncestorOf(self, QWidget) → bool¶
-
isEnabled(self) → bool¶
-
isEnabledTo(self, QWidget) → bool¶
-
isFullScreen(self) → bool¶
-
isHidden(self) → bool¶
-
isLeftToRight(self) → bool¶
-
isMaximized(self) → bool¶
-
isMinimized(self) → bool¶
-
isModal(self) → bool¶
-
isRightToLeft(self) → bool¶
-
isSignalConnected(self, QMetaMethod) → bool¶
-
isSizeGripEnabled(self) → bool¶
-
isVisible(self) → bool¶
-
isVisibleTo(self, QWidget) → bool¶
-
isWidgetType(self) → bool¶
-
isWindow(self) → bool¶
-
isWindowModified(self) → bool¶
-
isWindowType(self) → bool¶
-
keyPressEvent(self, QKeyEvent)¶
-
keyReleaseEvent(self, QKeyEvent)¶
-
keyboardGrabber() → QWidget¶
-
killTimer(self, int)¶
-
layout(self) → QLayout¶
-
layoutDirection(self) → Qt.LayoutDirection¶
-
leaveEvent(self, QEvent)¶
-
locale(self) → QLocale¶
-
logicalDpiX(self) → int¶
-
logicalDpiY(self) → int¶
-
lower(self)¶
-
mapFrom(self, QWidget, QPoint) → QPoint¶
-
mapFromGlobal(self, QPoint) → QPoint¶
-
mapFromParent(self, QPoint) → QPoint¶
-
mapTo(self, QWidget, QPoint) → QPoint¶
-
mapToGlobal(self, QPoint) → QPoint¶
-
mapToParent(self, QPoint) → QPoint¶
-
mask(self) → QRegion¶
-
maximumHeight(self) → int¶
-
maximumSize(self) → QSize¶
-
maximumWidth(self) → int¶
-
metaObject(self) → QMetaObject¶
-
metric(self, QPaintDevice.PaintDeviceMetric) → int¶
-
minimumHeight(self) → int¶
-
minimumSize(self) → QSize¶
-
minimumSizeHint(self) → QSize¶
-
minimumWidth(self) → int¶
-
mouseDoubleClickEvent(self, QMouseEvent)¶
-
mouseGrabber() → QWidget¶
-
mouseMoveEvent(self, QMouseEvent)¶
-
mousePressEvent(self, QMouseEvent)¶
-
mouseReleaseEvent(self, QMouseEvent)¶
-
move(self, QPoint)¶ move(self, int, int)
-
moveEvent(self, QMoveEvent)¶
-
moveToThread(self, QThread)¶
-
nativeEvent(self, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]¶
-
nativeParentWidget(self) → QWidget¶
-
nextInFocusChain(self) → QWidget¶
-
normalGeometry(self) → QRect¶
-
objectName(self) → str¶
-
objectNameChanged¶ objectNameChanged(self, str) [signal]
-
open(self)¶
-
overrideWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])¶
-
overrideWindowState(self, Union[Qt.WindowStates, Qt.WindowState])¶
-
paintEngine(self) → QPaintEngine¶
-
paintEvent(self, QPaintEvent)¶
-
paintingActive(self) → bool¶
-
palette(self) → QPalette¶
-
parent(self) → QObject¶
-
parentWidget(self) → QWidget¶
-
physicalDpiX(self) → int¶
-
physicalDpiY(self) → int¶
-
pos(self) → QPoint¶
-
previousInFocusChain(self) → QWidget¶
-
property(self, str) → Any¶
-
pyqtConfigure(...)¶ Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.
-
raise_(self)¶
-
receivers(self, PYQT_SIGNAL) → int¶
-
rect(self) → QRect¶
-
reject(self)¶
-
rejected¶ rejected(self) [signal]
-
releaseKeyboard(self)¶
-
releaseMouse(self)¶
-
releaseShortcut(self, int)¶
-
removeAction(self, QAction)¶
-
removeEventFilter(self, QObject)¶
-
render(self, QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))¶ render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))
-
repaint(self)¶ repaint(self, int, int, int, int) repaint(self, QRect) repaint(self, QRegion)
-
resize(self, QSize)¶ resize(self, int, int)
-
resizeEvent(self, QResizeEvent)¶
-
restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool¶
-
result(self) → int¶
-
saveGeometry(self) → QByteArray¶
-
scroll(self, int, int)¶ scroll(self, int, int, QRect)
-
sender(self) → QObject¶
-
senderSignalIndex(self) → int¶
-
setAcceptDrops(self, bool)¶
-
setAccessibleDescription(self, str)¶
-
setAccessibleName(self, str)¶
-
setAttribute(self, Qt.WidgetAttribute, on: bool = True)¶
-
setAutoFillBackground(self, bool)¶
-
setBackgroundRole(self, QPalette.ColorRole)¶
-
setBaseSize(self, int, int)¶ setBaseSize(self, QSize)
-
setContentsMargins(self, int, int, int, int)¶ setContentsMargins(self, QMargins)
-
setContextMenuPolicy(self, Qt.ContextMenuPolicy)¶
-
setCursor(self, Union[QCursor, Qt.CursorShape])¶
-
setDisabled(self, bool)¶
-
setEnabled(self, bool)¶
-
setFixedHeight(self, int)¶
-
setFixedSize(self, QSize)¶ setFixedSize(self, int, int)
-
setFixedWidth(self, int)¶
-
setFocus(self)¶ setFocus(self, Qt.FocusReason)
-
setFocusPolicy(self, Qt.FocusPolicy)¶
-
setFocusProxy(self, QWidget)¶
-
setFont(self, QFont)¶
-
setForegroundRole(self, QPalette.ColorRole)¶
-
setGeometry(self, QRect)¶ setGeometry(self, int, int, int, int)
-
setGraphicsEffect(self, QGraphicsEffect)¶
-
setHidden(self, bool)¶
-
setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])¶
-
setLayout(self, QLayout)¶
-
setLayoutDirection(self, Qt.LayoutDirection)¶
-
setLocale(self, QLocale)¶
-
setMask(self, QBitmap)¶ setMask(self, QRegion)
-
setMaximumHeight(self, int)¶
-
setMaximumSize(self, int, int)¶ setMaximumSize(self, QSize)
-
setMaximumWidth(self, int)¶
-
setMinimumHeight(self, int)¶
-
setMinimumSize(self, int, int)¶ setMinimumSize(self, QSize)
-
setMinimumWidth(self, int)¶
-
setModal(self, bool)¶
-
setMouseTracking(self, bool)¶
-
setObjectName(self, str)¶
-
setPalette(self, QPalette)¶
-
setParent(self, QWidget)¶ setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType])
-
setProperty(self, str, Any) → bool¶
-
setResult(self, int)¶
-
setShortcutAutoRepeat(self, int, enabled: bool = True)¶
-
setShortcutEnabled(self, int, enabled: bool = True)¶
-
setSizeGripEnabled(self, bool)¶
-
setSizeIncrement(self, int, int)¶ setSizeIncrement(self, QSize)
-
setSizePolicy(self, QSizePolicy)¶ setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy)
-
setStatusTip(self, str)¶
-
setStyle(self, QStyle)¶
-
setStyleSheet(self, str)¶
-
setTabOrder(QWidget, QWidget)¶
-
setTabletTracking(self, bool)¶
-
setToolTip(self, str)¶
-
setToolTipDuration(self, int)¶
-
setUpdatesEnabled(self, bool)¶
-
setVisible(self, bool)¶
-
setWhatsThis(self, str)¶
-
setWindowFilePath(self, str)¶
-
setWindowFlag(self, Qt.WindowType, on: bool = True)¶
-
setWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])¶
-
setWindowIcon(self, QIcon)¶
-
setWindowIconText(self, str)¶
-
setWindowModality(self, Qt.WindowModality)¶
-
setWindowModified(self, bool)¶
-
setWindowOpacity(self, float)¶
-
setWindowRole(self, str)¶
-
setWindowState(self, Union[Qt.WindowStates, Qt.WindowState])¶
-
setWindowTitle(self, str)¶
-
show(self)¶
-
showEvent(self, QShowEvent)¶
-
showFullScreen(self)¶
-
showMaximized(self)¶
-
showMinimized(self)¶
-
showNormal(self)¶
-
signalsBlocked(self) → bool¶
-
size(self) → QSize¶
-
sizeHint(self) → QSize¶
-
sizeIncrement(self) → QSize¶
-
sizePolicy(self) → QSizePolicy¶
-
stackUnder(self, QWidget)¶
-
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject= <PyQt5.QtCore.QMetaObject object>¶
-
statusTip(self) → str¶
-
style(self) → QStyle¶
-
styleSheet(self) → str¶
-
tabletEvent(self, QTabletEvent)¶
-
testAttribute(self, Qt.WidgetAttribute) → bool¶
-
thread(self) → QThread¶
-
timerEvent(self, QTimerEvent)¶
-
toolTip(self) → str¶
-
toolTipDuration(self) → int¶
-
tr(self, str, disambiguation: str = None, n: int = -1) → str¶
-
underMouse(self) → bool¶
-
ungrabGesture(self, Qt.GestureType)¶
-
unsetCursor(self)¶
-
unsetLayoutDirection(self)¶
-
unsetLocale(self)¶
-
update(self)¶ update(self, QRect) update(self, QRegion) update(self, int, int, int, int)
-
updateGeometry(self)¶
-
updateMicroFocus(self)¶
-
updatesEnabled(self) → bool¶
-
visibleRegion(self) → QRegion¶
-
warning(msg)¶ Display a warning dialog with a message
Parameters: msg (str) – The message to display in the warning dialog
-
whatsThis(self) → str¶
-
wheelEvent(self, QWheelEvent)¶
-
width(self) → int¶
-
widthMM(self) → int¶
-
winId(self) → sip.voidptr¶
-
window(self) → QWidget¶
-
windowFilePath(self) → str¶
-
windowFlags(self) → Qt.WindowFlags¶
-
windowHandle(self) → QWindow¶
-
windowIcon(self) → QIcon¶
-
windowIconChanged¶ windowIconChanged(self, QIcon) [signal]
-
windowIconText(self) → str¶
-
windowIconTextChanged¶ windowIconTextChanged(self, str) [signal]
-
windowModality(self) → Qt.WindowModality¶
-
windowOpacity(self) → float¶
-
windowRole(self) → str¶
-
windowState(self) → Qt.WindowStates¶
-
windowTitle(self) → str¶
-
windowTitleChanged¶ windowTitleChanged(self, str) [signal]
-
windowType(self) → Qt.WindowType¶
-
x(self) → int¶
-
y(self) → int¶
-
-
class
schrodinger.application.matsci.chargegui.ForceFieldDialog(master, user_accept_function=None, standard_buttons=None, nonstandard_buttons=None, help_topic='', title=None)¶ Bases:
schrodinger.ui.qt.swidgets.SDialogA dialog that contains forcefield options
-
OK= True¶
-
NOT_OK= False¶
-
layOut()¶ Lay out the dialog widgets
-
getForceFieldMenuItem()¶ Returns: the text as the force field menu item. Return type: str
-
showChargeDialog()¶ Show the dialog that allows custom charges
-
reset()¶ Reset the dialog widgets
-
customOPLSDir()¶ Return the custom OPLS directory if one was requested
Return type: str or None Returns: The path to the custom directory, or None if no such directory was requested
-
getFlags()¶ Get the command line flags based on the GUI settings
Return type: list Returns: List of command line flags and arguments
-
Accepted= 1¶
-
class
DialogCode¶ Bases:
int-
__init__= <method-wrapper '__init__' of sip.enumtype object at 0x2f2ece0>¶
-
-
DrawChildren= 2¶
-
DrawWindowBackground= 1¶
-
IgnoreMask= 4¶
-
class
PaintDeviceMetric¶ Bases:
int-
__init__= <method-wrapper '__init__' of sip.enumtype object at 0x2d58b20>¶
-
-
PdmDepth= 6¶
-
PdmDevicePixelRatio= 11¶
-
PdmDevicePixelRatioScaled= 12¶
-
PdmDpiX= 7¶
-
PdmDpiY= 8¶
-
PdmHeight= 2¶
-
PdmHeightMM= 4¶
-
PdmNumColors= 5¶
-
PdmPhysicalDpiX= 9¶
-
PdmPhysicalDpiY= 10¶
-
PdmWidth= 1¶
-
PdmWidthMM= 3¶
-
Rejected= 0¶
-
class
RenderFlag¶ Bases:
int-
__init__= <method-wrapper '__init__' of sip.enumtype object at 0x2c0f9e0>¶
-
-
class
RenderFlags¶ Bases:
sip.simplewrapperQWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)
-
__init__¶ Initialize self. See help(type(self)) for accurate signature.
-
-
__init__(master, user_accept_function=None, standard_buttons=None, nonstandard_buttons=None, help_topic='', title=None)¶ Creat an SDialog object
Parameters: - master (QWidget) – The parent of this dialog
- user_accept_function (callable) – A function to call from a custom accept method implemented in a subclass
- standard_buttons (list) – List of standard buttons to add - each item must be a QDialogButtonBox.StandardButton constant (i.e. QDialogButtonBox.Ok). The default if no standard buttons or non-standard buttons are provided is Ok and Cancel.
- nonstandard_buttons (list of (QPushButton, QDialogButtonBox.ButtonRole) tuples) – Each item of the list is a tuple containing an existing button and a ButtonRole such as AcceptRole. The default if no standard buttons or non-standard buttons are provided is Ok and Cancel buttons.
- help_topic (str) – The help topic for this panel. If the help topic is provided a help button will automatically be added to the panel.
- title (str) – The dialog window title
-
accept(self)¶
-
acceptDrops(self) → bool¶
-
accepted¶ accepted(self) [signal]
-
accessibleDescription(self) → str¶
-
accessibleName(self) → str¶
-
actionEvent(self, QActionEvent)¶
-
actions(self) → List[QAction]¶
-
activateWindow(self)¶
-
addAction(self, QAction)¶
-
addActions(self, Iterable[QAction])¶
-
adjustSize(self)¶
-
autoFillBackground(self) → bool¶
-
backgroundRole(self) → QPalette.ColorRole¶
-
baseSize(self) → QSize¶
-
blockSignals(self, bool) → bool¶
-
changeEvent(self, QEvent)¶
-
childAt(self, QPoint) → QWidget¶ childAt(self, int, int) -> QWidget
-
childEvent(self, QChildEvent)¶
-
children(self) → List[QObject]¶
-
childrenRect(self) → QRect¶
-
childrenRegion(self) → QRegion¶
-
clearFocus(self)¶
-
clearMask(self)¶
-
close(self) → bool¶
-
closeEvent(self, QCloseEvent)¶
-
colorCount(self) → int¶
-
connectNotify(self, QMetaMethod)¶
-
contentsMargins(self) → QMargins¶
-
contentsRect(self) → QRect¶
-
contextMenuEvent(self, QContextMenuEvent)¶
-
contextMenuPolicy(self) → Qt.ContextMenuPolicy¶
-
create(self, window: sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)¶
-
createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget¶
-
cursor(self) → QCursor¶
-
customContextMenuRequested¶ customContextMenuRequested(self, QPoint) [signal]
-
customEvent(self, QEvent)¶
-
deleteLater(self)¶
-
depth(self) → int¶
-
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)¶
-
destroyed¶ destroyed(self, object: QObject = None) [signal]
-
devType(self) → int¶
-
devicePixelRatio(self) → int¶
-
devicePixelRatioF(self) → float¶
-
devicePixelRatioFScale() → float¶
-
disconnect(self)¶
-
disconnectNotify(self, QMetaMethod)¶
-
done(self, int)¶
-
dragEnterEvent(self, QDragEnterEvent)¶
-
dragLeaveEvent(self, QDragLeaveEvent)¶
-
dragMoveEvent(self, QDragMoveEvent)¶
-
dropEvent(self, QDropEvent)¶
-
dumpObjectInfo(self)¶
-
dumpObjectTree(self)¶
-
dynamicPropertyNames(self) → List[QByteArray]¶
-
effectiveWinId(self) → sip.voidptr¶
-
ensurePolished(self)¶
-
enterEvent(self, QEvent)¶
-
error(msg)¶ Display an error dialog with a message
Parameters: msg (str) – The message to display in the error dialog
-
event(self, QEvent) → bool¶
-
eventFilter(self, QObject, QEvent) → bool¶
-
exec(self) → int¶
-
exec_(self) → int¶
-
find(sip.voidptr) → QWidget¶
-
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject¶ findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject
-
findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]¶ findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]
-
findInvalidFFStructures(structs)¶ Check a list of structures to see if any are invalid with the given forcefield
Parameters: structs (list) – A list of structures to check Return type: str or bool Returns: If bool, whether any of the structures are invalid. If str, then invalid structures were found and the str is an error message. An error message is only returned if the previous state is was all valid. This avoids continually showing the failure dialog.
-
finished¶ finished(self, int) [signal]
-
focusInEvent(self, QFocusEvent)¶
-
focusNextChild(self) → bool¶
-
focusNextPrevChild(self, bool) → bool¶
-
focusOutEvent(self, QFocusEvent)¶
-
focusPolicy(self) → Qt.FocusPolicy¶
-
focusPreviousChild(self) → bool¶
-
focusProxy(self) → QWidget¶
-
focusWidget(self) → QWidget¶
-
font(self) → QFont¶
-
fontInfo(self) → QFontInfo¶
-
fontMetrics(self) → QFontMetrics¶
-
foregroundRole(self) → QPalette.ColorRole¶
-
frameGeometry(self) → QRect¶
-
frameSize(self) → QSize¶
-
geometry(self) → QRect¶
-
getContentsMargins(self) → Tuple[int, int, int, int]¶
-
giveHelp()¶ Display the help topic for this dialog
-
grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(-1, -1))) → QPixmap¶
-
grabGesture(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())¶
-
grabKeyboard(self)¶
-
grabMouse(self)¶ grabMouse(self, Union[QCursor, Qt.CursorShape])
-
grabShortcut(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int¶
-
graphicsEffect(self) → QGraphicsEffect¶
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graphicsProxyWidget(self) → QGraphicsProxyWidget¶
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hasFocus(self) → bool¶
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hasHeightForWidth(self) → bool¶
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hasMouseTracking(self) → bool¶
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hasTabletTracking(self) → bool¶
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height(self) → int¶
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heightForWidth(self, int) → int¶
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heightMM(self) → int¶
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hide(self)¶
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hideEvent(self, QHideEvent)¶
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info(msg)¶ Display an information dialog with a message
Parameters: msg (str) – The message to display in the information dialog
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inherits(self, str) → bool¶
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initPainter(self, QPainter)¶
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inputMethodEvent(self, QInputMethodEvent)¶
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inputMethodHints(self) → Qt.InputMethodHints¶
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inputMethodQuery(self, Qt.InputMethodQuery) → Any¶
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insertAction(self, QAction, QAction)¶
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insertActions(self, QAction, Iterable[QAction])¶
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installEventFilter(self, QObject)¶
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isActiveWindow(self) → bool¶
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isAncestorOf(self, QWidget) → bool¶
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isEnabled(self) → bool¶
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isEnabledTo(self, QWidget) → bool¶
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isFullScreen(self) → bool¶
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isHidden(self) → bool¶
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isLeftToRight(self) → bool¶
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isMaximized(self) → bool¶
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isMinimized(self) → bool¶
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isModal(self) → bool¶
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isRightToLeft(self) → bool¶
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isSignalConnected(self, QMetaMethod) → bool¶
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isSizeGripEnabled(self) → bool¶
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isVisible(self) → bool¶
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isVisibleTo(self, QWidget) → bool¶
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isWidgetType(self) → bool¶
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isWindow(self) → bool¶
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isWindowModified(self) → bool¶
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isWindowType(self) → bool¶
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keyPressEvent(self, QKeyEvent)¶
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keyReleaseEvent(self, QKeyEvent)¶
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keyboardGrabber() → QWidget¶
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killTimer(self, int)¶
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layout(self) → QLayout¶
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layoutDirection(self) → Qt.LayoutDirection¶
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leaveEvent(self, QEvent)¶
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locale(self) → QLocale¶
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logicalDpiX(self) → int¶
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logicalDpiY(self) → int¶
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lower(self)¶
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mapFrom(self, QWidget, QPoint) → QPoint¶
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mapFromGlobal(self, QPoint) → QPoint¶
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mapFromParent(self, QPoint) → QPoint¶
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mapTo(self, QWidget, QPoint) → QPoint¶
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mapToGlobal(self, QPoint) → QPoint¶
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mapToParent(self, QPoint) → QPoint¶
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mask(self) → QRegion¶
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maximumHeight(self) → int¶
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maximumSize(self) → QSize¶
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maximumWidth(self) → int¶
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metaObject(self) → QMetaObject¶
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metric(self, QPaintDevice.PaintDeviceMetric) → int¶
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minimumHeight(self) → int¶
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minimumSize(self) → QSize¶
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minimumSizeHint(self) → QSize¶
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minimumWidth(self) → int¶
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mouseDoubleClickEvent(self, QMouseEvent)¶
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mouseGrabber() → QWidget¶
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mouseMoveEvent(self, QMouseEvent)¶
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mousePressEvent(self, QMouseEvent)¶
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mouseReleaseEvent(self, QMouseEvent)¶
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move(self, QPoint)¶ move(self, int, int)
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moveEvent(self, QMoveEvent)¶
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moveToThread(self, QThread)¶
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nativeEvent(self, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]¶
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nativeParentWidget(self) → QWidget¶
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nextInFocusChain(self) → QWidget¶
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normalGeometry(self) → QRect¶
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objectName(self) → str¶
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objectNameChanged¶ objectNameChanged(self, str) [signal]
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open(self)¶
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overrideWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])¶
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overrideWindowState(self, Union[Qt.WindowStates, Qt.WindowState])¶
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paintEngine(self) → QPaintEngine¶
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paintEvent(self, QPaintEvent)¶
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paintingActive(self) → bool¶
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palette(self) → QPalette¶
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parent(self) → QObject¶
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parentWidget(self) → QWidget¶
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physicalDpiX(self) → int¶
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physicalDpiY(self) → int¶
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pos(self) → QPoint¶
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previousInFocusChain(self) → QWidget¶
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property(self, str) → Any¶
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pyqtConfigure(...)¶ Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.
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raise_(self)¶
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receivers(self, PYQT_SIGNAL) → int¶
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rect(self) → QRect¶
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reject(self)¶
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rejected¶ rejected(self) [signal]
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releaseKeyboard(self)¶
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releaseMouse(self)¶
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releaseShortcut(self, int)¶
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removeAction(self, QAction)¶
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removeEventFilter(self, QObject)¶
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render(self, QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))¶ render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))
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repaint(self)¶ repaint(self, int, int, int, int) repaint(self, QRect) repaint(self, QRegion)
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resize(self, QSize)¶ resize(self, int, int)
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resizeEvent(self, QResizeEvent)¶
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restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool¶
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result(self) → int¶
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saveGeometry(self) → QByteArray¶
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scroll(self, int, int)¶ scroll(self, int, int, QRect)
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sender(self) → QObject¶
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senderSignalIndex(self) → int¶
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setAcceptDrops(self, bool)¶
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setAccessibleDescription(self, str)¶
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setAccessibleName(self, str)¶
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setAttribute(self, Qt.WidgetAttribute, on: bool = True)¶
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setAutoFillBackground(self, bool)¶
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setBackgroundRole(self, QPalette.ColorRole)¶
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setBaseSize(self, int, int)¶ setBaseSize(self, QSize)
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setContentsMargins(self, int, int, int, int)¶ setContentsMargins(self, QMargins)
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setContextMenuPolicy(self, Qt.ContextMenuPolicy)¶
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setCursor(self, Union[QCursor, Qt.CursorShape])¶
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setDisabled(self, bool)¶
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setEnabled(self, bool)¶
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setFixedHeight(self, int)¶
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setFixedSize(self, QSize)¶ setFixedSize(self, int, int)
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setFixedWidth(self, int)¶
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setFocus(self)¶ setFocus(self, Qt.FocusReason)
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setFocusPolicy(self, Qt.FocusPolicy)¶
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setFocusProxy(self, QWidget)¶
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setFont(self, QFont)¶
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setForegroundRole(self, QPalette.ColorRole)¶
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setGeometry(self, QRect)¶ setGeometry(self, int, int, int, int)
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setGraphicsEffect(self, QGraphicsEffect)¶
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setHidden(self, bool)¶
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setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])¶
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setLayout(self, QLayout)¶
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setLayoutDirection(self, Qt.LayoutDirection)¶
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setLocale(self, QLocale)¶
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setMask(self, QBitmap)¶ setMask(self, QRegion)
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setMaximumHeight(self, int)¶
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setMaximumSize(self, int, int)¶ setMaximumSize(self, QSize)
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setMaximumWidth(self, int)¶
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setMinimumHeight(self, int)¶
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setMinimumSize(self, int, int)¶ setMinimumSize(self, QSize)
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setMinimumWidth(self, int)¶
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setModal(self, bool)¶
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setMouseTracking(self, bool)¶
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setObjectName(self, str)¶
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setPalette(self, QPalette)¶
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setParent(self, QWidget)¶ setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType])
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setProperty(self, str, Any) → bool¶
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setResult(self, int)¶
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setShortcutAutoRepeat(self, int, enabled: bool = True)¶
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setShortcutEnabled(self, int, enabled: bool = True)¶
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setSizeGripEnabled(self, bool)¶
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setSizeIncrement(self, int, int)¶ setSizeIncrement(self, QSize)
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setSizePolicy(self, QSizePolicy)¶ setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy)
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setStatusTip(self, str)¶
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setStyle(self, QStyle)¶
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setStyleSheet(self, str)¶
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setTabOrder(QWidget, QWidget)¶
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setTabletTracking(self, bool)¶
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setToolTip(self, str)¶
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setToolTipDuration(self, int)¶
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setUpdatesEnabled(self, bool)¶
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setVisible(self, bool)¶
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setWhatsThis(self, str)¶
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setWindowFilePath(self, str)¶
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setWindowFlag(self, Qt.WindowType, on: bool = True)¶
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setWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])¶
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setWindowIcon(self, QIcon)¶
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setWindowIconText(self, str)¶
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setWindowModality(self, Qt.WindowModality)¶
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setWindowModified(self, bool)¶
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setWindowOpacity(self, float)¶
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setWindowRole(self, str)¶
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setWindowState(self, Union[Qt.WindowStates, Qt.WindowState])¶
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setWindowTitle(self, str)¶
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show(self)¶
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showEvent(self, QShowEvent)¶
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showFullScreen(self)¶
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showMaximized(self)¶
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showMinimized(self)¶
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showNormal(self)¶
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signalsBlocked(self) → bool¶
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size(self) → QSize¶
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sizeHint(self) → QSize¶
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sizeIncrement(self) → QSize¶
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sizePolicy(self) → QSizePolicy¶
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stackUnder(self, QWidget)¶
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startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
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staticMetaObject= <PyQt5.QtCore.QMetaObject object>¶
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statusTip(self) → str¶
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style(self) → QStyle¶
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styleSheet(self) → str¶
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tabletEvent(self, QTabletEvent)¶
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testAttribute(self, Qt.WidgetAttribute) → bool¶
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thread(self) → QThread¶
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timerEvent(self, QTimerEvent)¶
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toolTip(self) → str¶
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toolTipDuration(self) → int¶
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tr(self, str, disambiguation: str = None, n: int = -1) → str¶
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underMouse(self) → bool¶
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ungrabGesture(self, Qt.GestureType)¶
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unsetCursor(self)¶
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unsetLayoutDirection(self)¶
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unsetLocale(self)¶
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update(self)¶ update(self, QRect) update(self, QRegion) update(self, int, int, int, int)
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updateGeometry(self)¶
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updateMicroFocus(self)¶
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updatesEnabled(self) → bool¶
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visibleRegion(self) → QRegion¶
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warning(msg)¶ Display a warning dialog with a message
Parameters: msg (str) – The message to display in the warning dialog
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whatsThis(self) → str¶
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wheelEvent(self, QWheelEvent)¶
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width(self) → int¶
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widthMM(self) → int¶
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winId(self) → sip.voidptr¶
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window(self) → QWidget¶
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windowFilePath(self) → str¶
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windowFlags(self) → Qt.WindowFlags¶
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windowHandle(self) → QWindow¶
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windowIcon(self) → QIcon¶
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windowIconChanged¶ windowIconChanged(self, QIcon) [signal]
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windowIconText(self) → str¶
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windowIconTextChanged¶ windowIconTextChanged(self, str) [signal]
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windowModality(self) → Qt.WindowModality¶
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windowOpacity(self) → float¶
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windowRole(self) → str¶
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windowState(self) → Qt.WindowStates¶
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windowTitle(self) → str¶
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windowTitleChanged¶ windowTitleChanged(self, str) [signal]
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windowType(self) → Qt.WindowType¶
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x(self) → int¶
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y(self) → int¶
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