schrodinger.application.matsci.clusterstructgui module¶
GUI elements to aid in pulling dimers or clusters of nearest neighbors from a larger structure.
Copyright Schrodinger, LLC. All rights reserved.
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class
schrodinger.application.matsci.clusterstructgui.
MonomerSpeciesSelector
(label='Limit active molecules to those of type:', command=None, **kwargs)¶ Bases:
schrodinger.ui.qt.swidgets.SCheckBoxWithSubWidget
Checkbox and combo that allows the user to select a species. The enabled state of the combobox is controlled by the checkbox.
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species_changed
¶
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__init__
(label='Limit active molecules to those of type:', command=None, **kwargs)¶ Create a Monomer SpeciesSelector instance
Parameters: - label (str) – The text between the checkbox and combobox
- command (callable) – The slot to connect to the species_changed signal
All other keyword args are passed to the SCheckBoxWithSubWidget class
-
createSubWidgets
()¶ Create the subwidgets the checkbox controls
For this class, it is only the species type combobox
-
currentSpecies
()¶ Return the currently selected species
Return type: schrodinger.application.matsci.clusterstruct.SpeciesData
Returns: The currently selected species
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speciesChanged
()¶ React to a new species being selected
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hasSpecies
()¶ Check if any species have been loaded
Return type: bool Returns: True of any species has been loaded, False if not
-
clear
()¶ Clear out the species combo
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loadSpecies
(structs)¶ Find all the species in the given structures and load them into the species type combobox
Parameters: structs (list of schrodinger.structure.Structure
) – The structures to find the species inReturn type: list of schrodinger.application.matsci.clusterstruct.SpeciesData
Returns: Each item of the list is the data for a species found
-
setCurrentSpecies
(species)¶ Fill the species combo with the list of current species
Parameters: species (dict) – Keys are unique SMILES strings, values are SpeciesData objects for the species with that SMILES string.
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reset
()¶ Reset the widget, including clearing the species type combo
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getNumberOfType
()¶ Get the number of members of the current species
Return type: int Returns: The number of members of the current species
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DrawChildren
= 2¶
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DrawWindowBackground
= 1¶
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IgnoreMask
= 4¶
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class
PaintDeviceMetric
¶ Bases:
int
-
__init__
= <method-wrapper '__init__' of sip.enumtype object at 0x324ada8>¶
-
-
PdmDepth
= 6¶
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PdmDevicePixelRatio
= 11¶
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PdmDevicePixelRatioScaled
= 12¶
-
PdmDpiX
= 7¶
-
PdmDpiY
= 8¶
-
PdmHeight
= 2¶
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PdmHeightMM
= 4¶
-
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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class
RenderFlag
¶ Bases:
int
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__init__
= <method-wrapper '__init__' of sip.enumtype object at 0x33f3a08>¶
-
-
class
RenderFlags
¶ Bases:
sip.simplewrapper
QWidget.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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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])¶
-
adjustSize
(self)¶
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animateClick
(self, msecs: int = 100)¶
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autoExclusive
(self) → bool¶
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autoFillBackground
(self) → bool¶
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autoRepeat
(self) → bool¶
-
autoRepeatDelay
(self) → int¶
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autoRepeatInterval
(self) → int¶
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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
(event)¶ Overrides the parent method to save & change the checkstate when the widget is enabled/disabled (if requested)
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checkState
(self) → Qt.CheckState¶
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checkStateSet
(self)¶
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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)¶
-
clearMask
(self)¶
-
click
(self)¶
-
clicked
¶ clicked(self, checked: bool = False) [signal]
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close
(self) → bool¶
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closeEvent
(self, QCloseEvent)¶
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colorCount
(self) → int¶
-
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]
-
customEvent
(self, QEvent)¶
-
deleteLater
(self)¶
-
depth
(self) → int¶
-
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¶
-
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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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¶
-
ensurePolished
(self)¶
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enterEvent
(self, QEvent)¶
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event
(self, QEvent) → bool¶
-
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¶
-
focusOutEvent
(self, QFocusEvent)¶
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focusPolicy
(self) → Qt.FocusPolicy¶
-
focusPreviousChild
(self) → bool¶
-
focusProxy
(self) → QWidget¶
-
focusWidget
(self) → QWidget¶
-
font
(self) → QFont¶
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fontInfo
(self) → QFontInfo¶
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fontMetrics
(self) → QFontMetrics¶
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forceSetChecked
(state)¶ Change the checkstate of the widget even if it is disabled and we are controlling the checkstate of disabled widgets. Also sets this state to be the state when the widget re-enabled
Parameters: state (bool) – Whether the checkbox should be checked
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foregroundRole
(self) → QPalette.ColorRole¶
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frameGeometry
(self) → QRect¶
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frameSize
(self) → QSize¶
-
geometry
(self) → QRect¶
-
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¶
-
group
(self) → QButtonGroup¶
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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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hitButton
(self, QPoint) → bool¶
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icon
(self) → QIcon¶
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iconSize
(self) → QSize¶
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inherits
(self, str) → bool¶
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initPainter
(self, QPainter)¶
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initStyleOption
(self, QStyleOptionButton)¶
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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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isCheckable
(self) → bool¶
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isChecked
(self) → bool¶
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isDown
(self) → 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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isTristate
(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¶
-
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¶
-
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¶
-
maximumSize
(self) → QSize¶
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maximumWidth
(self) → int¶
-
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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nextCheckState
(self)¶
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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¶
-
palette
(self) → QPalette¶
-
parent
(self) → QObject¶
-
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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pressed
¶ pressed(self) [signal]
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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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released
¶ released(self) [signal]
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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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setAutoExclusive
(self, bool)¶
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setAutoFillBackground
(self, bool)¶
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setAutoRepeat
(self, bool)¶
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setAutoRepeatDelay
(self, int)¶
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setAutoRepeatInterval
(self, int)¶
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setBackgroundRole
(self, QPalette.ColorRole)¶
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setBaseSize
(self, int, int)¶ setBaseSize(self, QSize)
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setCheckState
(self, Qt.CheckState)¶
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setCheckable
(self, bool)¶
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setChecked
(state)¶ Overrides the parent method to not actually change the check state if the widget is disabled AND we’re controlling the checkstate of disabled widgets. In that case, we only store the desired state for when the widget is re-enabled.
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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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setDown
(self, bool)¶
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setEnabled
(state)¶ Set checkbox enabled/disabled state.
Parameters: state (bool) – the desired state of the checkbox
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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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setIcon
(self, QIcon)¶
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setIconSize
(self, QSize)¶
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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)
-
setMinimumWidth
(self, int)¶
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setMouseTracking
(self, bool)¶
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setObjectName
(self, str)¶
-
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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setShortcut
(self, Union[QKeySequence, QKeySequence.StandardKey, str, 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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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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setText
(self, str)¶
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setToolTip
(self, str)¶
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setToolTipDuration
(self, int)¶
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setTristate
(self, on: bool = True)¶
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setUpdatesEnabled
(self, bool)¶
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setVisible
(state)¶ Set both the checkbox and subwidget visible
Parameters: state (bool) – The desired visible state of both the checkbox and subwidget
-
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])¶
-
setWindowIcon
(self, QIcon)¶
-
setWindowIconText
(self, str)¶
-
setWindowModality
(self, Qt.WindowModality)¶
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setWindowModified
(self, bool)¶
-
setWindowOpacity
(self, float)¶
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setWindowRole
(self, str)¶
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setWindowState
(self, Union[Qt.WindowStates, Qt.WindowState])¶
-
setWindowTitle
(self, str)¶
-
shortcut
(self) → QKeySequence¶
-
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)¶
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startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
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stateChanged
¶ stateChanged(self, int) [signal]
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
statusTip
(self) → str¶
-
style
(self) → QStyle¶
-
styleSheet
(self) → str¶
-
tabletEvent
(self, QTabletEvent)¶
-
testAttribute
(self, Qt.WidgetAttribute) → bool¶
-
text
(self) → str¶
-
thread
(self) → QThread¶
-
timerEvent
(self, QTimerEvent)¶
-
toggle
(self)¶
-
toggled
¶ toggled(self, bool) [signal]
-
toolTip
(self) → str¶
-
toolTipDuration
(self) → int¶
-
tr
(self, str, disambiguation: str = None, n: int = -1) → str¶
-
trackAbleState
()¶ Check whether we need to track the checkstate of this widget when it is enabled/disabled
Return type: bool Returns: Whether we should track the checkstate
-
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.clusterstructgui.
DimerSpeciesSelector
(label='Limit dimers to only those that contain:', command=None, **kwargs)¶ Bases:
schrodinger.application.matsci.clusterstructgui.MonomerSpeciesSelector
Checkbox and combo that allows the user to select a species for the purpose of selecting dimers with or without the given species. The enabled state of the combobox is controlled by the checkbox.
-
criterion_changed
¶
-
__init__
(label='Limit dimers to only those that contain:', command=None, **kwargs)¶ Create a DimerSpeciesSelector instance
Parameters: - label (str) – The text between the checkbox and combobox
- command (callable) – The slot to connect to the species_changed and criterion_changed signals
See parent class for additional documentation
-
createSubWidgets
()¶ Create the subwidgets the checkbox controls
For this class, it is an amount criterion combobox and the species type combobox
-
currentCriterion
()¶ Return the current amount criterion
Return type: str Returns: The desired amount of the species. Will be one of the items from the CRITERIA list
-
criterionChanged
()¶ React to a change in the amount criterion
-
reset
()¶ Reset the widgets
-
applyToDimers
(dimers)¶ Apply the current settings to a list of dimers, marking them as meeting the criteria or not. If the controlling checkbox is unchecked, all dimers will be marked as meeting the criteria.
Parameters: dimers (list) – A list of Dimer objects. Each dimer will have its meets_species_criterion property set based on the results of the Dimer.evaluateSpeciesCriterion method.
-
DrawChildren
= 2¶
-
DrawWindowBackground
= 1¶
-
IgnoreMask
= 4¶
-
class
PaintDeviceMetric
¶ Bases:
int
-
__init__
= <method-wrapper '__init__' of sip.enumtype object at 0x324ada8>¶
-
-
PdmDepth
= 6¶
-
PdmDevicePixelRatio
= 11¶
-
PdmDevicePixelRatioScaled
= 12¶
-
PdmDpiX
= 7¶
-
PdmDpiY
= 8¶
-
PdmHeight
= 2¶
-
PdmHeightMM
= 4¶
-
PdmNumColors
= 5¶
-
PdmPhysicalDpiX
= 9¶
-
PdmPhysicalDpiY
= 10¶
-
PdmWidth
= 1¶
-
PdmWidthMM
= 3¶
-
class
RenderFlag
¶ Bases:
int
-
__init__
= <method-wrapper '__init__' of sip.enumtype object at 0x33f3a08>¶
-
-
class
RenderFlags
¶ Bases:
sip.simplewrapper
QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
-
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])¶
-
adjustSize
(self)¶
-
animateClick
(self, msecs: int = 100)¶
-
autoExclusive
(self) → bool¶
-
autoFillBackground
(self) → bool¶
-
autoRepeat
(self) → bool¶
-
autoRepeatDelay
(self) → int¶
-
autoRepeatInterval
(self) → int¶
-
backgroundRole
(self) → QPalette.ColorRole¶
-
baseSize
(self) → QSize¶
-
blockSignals
(self, bool) → bool¶
-
changeEvent
(event)¶ Overrides the parent method to save & change the checkstate when the widget is enabled/disabled (if requested)
-
checkState
(self) → Qt.CheckState¶
-
checkStateSet
(self)¶
-
childAt
(self, QPoint) → QWidget¶ childAt(self, int, int) -> QWidget
-
childEvent
(self, QChildEvent)¶
-
children
(self) → List[QObject]¶
-
childrenRect
(self) → QRect¶
-
childrenRegion
(self) → QRegion¶
-
clear
()¶ Clear out the species combo
-
clearFocus
(self)¶
-
clearMask
(self)¶
-
click
(self)¶
-
clicked
¶ clicked(self, checked: bool = False) [signal]
-
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¶
-
currentSpecies
()¶ Return the currently selected species
Return type: schrodinger.application.matsci.clusterstruct.SpeciesData
Returns: The currently selected species
-
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)¶
-
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¶
-
forceSetChecked
(state)¶ Change the checkstate of the widget even if it is disabled and we are controlling the checkstate of disabled widgets. Also sets this state to be the state when the widget re-enabled
Parameters: state (bool) – Whether the checkbox should be checked
-
foregroundRole
(self) → QPalette.ColorRole¶
-
frameGeometry
(self) → QRect¶
-
frameSize
(self) → QSize¶
-
geometry
(self) → QRect¶
-
getContentsMargins
(self) → Tuple[int, int, int, int]¶
-
getNumberOfType
()¶ Get the number of members of the current species
Return type: int Returns: The number of members of the current species
-
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¶
-
group
(self) → QButtonGroup¶
-
hasFocus
(self) → bool¶
-
hasHeightForWidth
(self) → bool¶
-
hasMouseTracking
(self) → bool¶
-
hasSpecies
()¶ Check if any species have been loaded
Return type: bool Returns: True of any species has been loaded, False if not
-
hasTabletTracking
(self) → bool¶
-
height
(self) → int¶
-
heightForWidth
(self, int) → int¶
-
heightMM
(self) → int¶
-
hide
(self)¶
-
hideEvent
(self, QHideEvent)¶
-
hitButton
(self, QPoint) → bool¶
-
icon
(self) → QIcon¶
-
iconSize
(self) → QSize¶
-
inherits
(self, str) → bool¶
-
initPainter
(self, QPainter)¶
-
initStyleOption
(self, QStyleOptionButton)¶
-
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¶
-
isCheckable
(self) → bool¶
-
isChecked
(self) → bool¶
-
isDown
(self) → 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¶
-
isTristate
(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)¶
-
loadSpecies
(structs)¶ Find all the species in the given structures and load them into the species type combobox
Parameters: structs (list of schrodinger.structure.Structure
) – The structures to find the species inReturn type: list of schrodinger.application.matsci.clusterstruct.SpeciesData
Returns: Each item of the list is the data for a species found
-
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¶
-
nextCheckState
(self)¶
-
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¶
-
pressed
¶ pressed(self) [signal]
-
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)¶
-
released
¶ released(self) [signal]
-
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)¶
-
setAutoExclusive
(self, bool)¶
-
setAutoFillBackground
(self, bool)¶
-
setAutoRepeat
(self, bool)¶
-
setAutoRepeatDelay
(self, int)¶
-
setAutoRepeatInterval
(self, int)¶
-
setBackgroundRole
(self, QPalette.ColorRole)¶
-
setBaseSize
(self, int, int)¶ setBaseSize(self, QSize)
-
setCheckState
(self, Qt.CheckState)¶
-
setCheckable
(self, bool)¶
-
setChecked
(state)¶ Overrides the parent method to not actually change the check state if the widget is disabled AND we’re controlling the checkstate of disabled widgets. In that case, we only store the desired state for when the widget is re-enabled.
-
setContentsMargins
(self, int, int, int, int)¶ setContentsMargins(self, QMargins)
-
setContextMenuPolicy
(self, Qt.ContextMenuPolicy)¶
-
setCurrentSpecies
(species)¶ Fill the species combo with the list of current species
Parameters: species (dict) – Keys are unique SMILES strings, values are SpeciesData objects for the species with that SMILES string.
-
setCursor
(self, Union[QCursor, Qt.CursorShape])¶
-
setDisabled
(self, bool)¶
-
setDown
(self, bool)¶
-
setEnabled
(state)¶ Set checkbox enabled/disabled state.
Parameters: state (bool) – the desired state of the checkbox
-
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)¶
-
setIcon
(self, QIcon)¶
-
setIconSize
(self, QSize)¶
-
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)¶
-
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¶
-
setShortcut
(self, Union[QKeySequence, QKeySequence.StandardKey, str, int])¶
-
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)¶
-
setText
(self, str)¶
-
setToolTip
(self, str)¶
-
setToolTipDuration
(self, int)¶
-
setTristate
(self, on: bool = True)¶
-
setUpdatesEnabled
(self, bool)¶
-
setVisible
(state)¶ Set both the checkbox and subwidget visible
Parameters: state (bool) – The desired visible state of both the checkbox and subwidget
-
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)¶
-
shortcut
(self) → QKeySequence¶
-
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¶
-
speciesChanged
()¶ React to a new species being selected
-
species_changed
¶
-
stackUnder
(self, QWidget)¶
-
startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
stateChanged
¶ stateChanged(self, int) [signal]
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
statusTip
(self) → str¶
-
style
(self) → QStyle¶
-
styleSheet
(self) → str¶
-
tabletEvent
(self, QTabletEvent)¶
-
testAttribute
(self, Qt.WidgetAttribute) → bool¶
-
text
(self) → str¶
-
thread
(self) → QThread¶
-
timerEvent
(self, QTimerEvent)¶
-
toggle
(self)¶
-
toggled
¶ toggled(self, bool) [signal]
-
toolTip
(self) → str¶
-
toolTipDuration
(self) → int¶
-
tr
(self, str, disambiguation: str = None, n: int = -1) → str¶
-
trackAbleState
()¶ Check whether we need to track the checkstate of this widget when it is enabled/disabled
Return type: bool Returns: Whether we should track the checkstate
-
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¶
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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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