schrodinger.application.jaguar.gui.theory_tab_widgets module¶
- class schrodinger.application.jaguar.gui.theory_tab_widgets.SpinTreatmentWidget(parent)¶
Bases:
PyQt6.QtWidgets.QWidgetThis widget allows user to specify SCF spin treatment options.
- Variables
spinTreatmentChanged (
PyQt5.QtCore.pyqtSignal) – A signal indicating that the type of spin treatment has changed.
- spinTreatmentChanged¶
- __init__(parent)¶
Initialize widget.
- Parameters
parent (QtCore.QObject) – parent of this dialog.
- getMmJagKeywords()¶
This function returns dictionary of mmjag keywords for this widget.
- Returns
mmjag keywords dictionary
- Return type
dict
- loadSettings(jag_input)¶
Restore spin treatment settings from Jaguar handle.
- Parameters
jag_input (
schrodinger.application.jaguar.input.JaguarInput) – The Jaguar settings to base the widget settings on
- getSpinTreatment()¶
Return the current spin treatment setting
- Returns
The current spin treatment setting
- Return type
SpinTreatment
- unrestrictedAvailable()¶
Does the current setting allow for an unrestricted spin treatment?
- Returns
True if the spin treatment is currently set to unrestricted or automatic. False otherwise.
- Return type
bool
- DrawChildren = 2¶
- DrawWindowBackground = 1¶
- IgnoreMask = 4¶
- class PaintDeviceMetric(value)¶
Bases:
enum.EnumAn enumeration.
- PdmWidth = 1¶
- PdmHeight = 2¶
- PdmWidthMM = 3¶
- PdmHeightMM = 4¶
- PdmNumColors = 5¶
- PdmDepth = 6¶
- PdmDpiX = 7¶
- PdmDpiY = 8¶
- PdmPhysicalDpiX = 9¶
- PdmPhysicalDpiY = 10¶
- PdmDevicePixelRatio = 11¶
- PdmDevicePixelRatioScaled = 12¶
- 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(value)¶
Bases:
enum.FlagAn enumeration.
- DrawWindowBackground = 1¶
- DrawChildren = 2¶
- IgnoreMask = 4¶
- 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)¶
- autoFillBackground(self) bool¶
- backgroundRole(self) QPalette.ColorRole¶
- baseSize(self) QSize¶
- blockSignals(self, bool) bool¶
- changeEvent(self, QEvent)¶
- childAt(self, QPoint) QWidget¶
- SpinTreatmentWidget.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: PyQt6.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)¶
- createWindowContainer(QWindow, parent: QWidget = None, flags: Qt.WindowType = Qt.WindowFlags()) 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) float¶
- devicePixelRatioF(self) float¶
- devicePixelRatioFScale() float¶
- disconnect(QMetaObject.Connection) bool¶
- disconnect(self) None
- 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) PyQt6.sip.voidptr¶
- ensurePolished(self)¶
- enterEvent(self, QEnterEvent)¶
- event(self, QEvent) bool¶
- eventFilter(self, QObject, QEvent) bool¶
- find(PyQt6.sip.voidptr) QWidget¶
- findChild(self, type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) QObject¶
- findChild(self, Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) QObject
- findChildren(self, type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) List[QObject]¶
- findChildren(self, Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) List[QObject]
- findChildren(self, type, QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) List[QObject]
- findChildren(self, Tuple, QRegularExpression, options: 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¶
- frameSize(self) QSize¶
- geometry(self) QRect¶
- grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(- 1, - 1))) QPixmap¶
- grabGesture(self, Qt.GestureType, flags: Qt.GestureFlag = Qt.GestureFlags())¶
- grabKeyboard(self)¶
- grabMouse(self)¶
- grabMouse(self, Union[QCursor, Qt.CursorShape]) None
- 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)¶
- inputMethodEvent(self, QInputMethodEvent)¶
- inputMethodHints(self) Qt.InputMethodHint¶
- inputMethodQuery(self, Qt.InputMethodQuery) Any¶
- SpinTreatmentWidget.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)¶
- locale(self) QLocale¶
- logicalDpiX(self) int¶
- logicalDpiY(self) int¶
- lower(self)¶
- mapFrom(self, QWidget, QPoint) QPoint¶
- mapFrom(self, QWidget, QPointF) QPointF
- mapFromGlobal(self, QPoint) QPoint¶
- mapFromGlobal(self, QPointF) QPointF
- mapFromParent(self, QPoint) QPoint¶
- mapFromParent(self, QPointF) QPointF
- mapTo(self, QWidget, QPoint) QPoint¶
- mapTo(self, QWidget, QPointF) QPointF
- mapToGlobal(self, QPoint) QPoint¶
- mapToGlobal(self, QPointF) QPointF
- mapToParent(self, QPoint) QPoint¶
- mapToParent(self, QPointF) QPointF
- 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)¶
- SpinTreatmentWidget.move(self, int, int) -> None
- moveEvent(self, QMoveEvent)¶
- moveToThread(self, QThread)¶
- nativeEvent(self, QByteArray, PyQt6.sip.voidptr) Tuple[bool, PyQt6.sip.voidptr]¶
- nativeParentWidget(self) QWidget¶
- nextInFocusChain(self) QWidget¶
- normalGeometry(self) QRect¶
- objectName(self) str¶
- objectNameChanged¶
objectNameChanged(self, str) [signal]
- overrideWindowFlags(self, Qt.WindowType)¶
- overrideWindowState(self, 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: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren))¶
- render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren)) None
- repaint(self)¶
- SpinTreatmentWidget.repaint(self, int, int, int, int) -> None
- repaint(self, QRect) None
- repaint(self, QRegion) None
- resize(self, QSize)¶
- SpinTreatmentWidget.resize(self, int, int) -> None
- resizeEvent(self, QResizeEvent)¶
- restoreGeometry(self, QByteArray) bool¶
- saveGeometry(self) QByteArray¶
- screen(self) QScreen¶
- SpinTreatmentWidget.scroll(self, int, int)
- SpinTreatmentWidget.scroll(self, int, int, QRect) -> None
- 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)¶
- SpinTreatmentWidget.setBaseSize(self, int, int)
- setBaseSize(self, QSize) None¶
- SpinTreatmentWidget.setContentsMargins(self, int, int, int, int)
- setContentsMargins(self, QMargins) None¶
- setContextMenuPolicy(self, Qt.ContextMenuPolicy)¶
- setCursor(self, Union[QCursor, Qt.CursorShape])¶
- setDisabled(self, bool)¶
- setEnabled(self, bool)¶
- setFixedHeight(self, int)¶
- setFixedSize(self, QSize)¶
- SpinTreatmentWidget.setFixedSize(self, int, int) -> None
- setFixedWidth(self, int)¶
- setFocus(self)¶
- setFocus(self, Qt.FocusReason) None
- setFocusPolicy(self, Qt.FocusPolicy)¶
- setFocusProxy(self, QWidget)¶
- setFont(self, QFont)¶
- setForegroundRole(self, QPalette.ColorRole)¶
- setGeometry(self, QRect)¶
- SpinTreatmentWidget.setGeometry(self, int, int, int, int) -> None
- setGraphicsEffect(self, QGraphicsEffect)¶
- setHidden(self, bool)¶
- setInputMethodHints(self, Qt.InputMethodHint)¶
- setLayout(self, QLayout)¶
- setLayoutDirection(self, Qt.LayoutDirection)¶
- setLocale(self, QLocale)¶
- setMask(self, QBitmap)¶
- setMask(self, QRegion) None
- setMaximumHeight(self, int)¶
- SpinTreatmentWidget.setMaximumSize(self, int, int)
- setMaximumSize(self, QSize) None¶
- setMaximumWidth(self, int)¶
- setMinimumHeight(self, int)¶
- SpinTreatmentWidget.setMinimumSize(self, int, int)
- setMinimumSize(self, QSize) None¶
- setMinimumWidth(self, int)¶
- setMouseTracking(self, bool)¶
- setObjectName(self, str)¶
- setPalette(self, QPalette)¶
- setParent(self, QWidget)¶
- setParent(self, QWidget, Qt.WindowType) None
- setProperty(self, str, Any) bool¶
- setScreen(self, QScreen)¶
- setShortcutAutoRepeat(self, int, enabled: bool = True)¶
- setShortcutEnabled(self, int, enabled: bool = True)¶
- SpinTreatmentWidget.setSizeIncrement(self, int, int)
- setSizeIncrement(self, QSize) None¶
- setSizePolicy(self, QSizePolicy)¶
- setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy) None
- setStatusTip(self, str)¶
- setStyle(self, QStyle)¶
- setStyleSheet(self, str)¶
- SpinTreatmentWidget.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, Qt.WindowType)¶
- setWindowIcon(self, QIcon)¶
- setWindowIconText(self, str)¶
- setWindowModality(self, Qt.WindowModality)¶
- setWindowModified(self, bool)¶
- setWindowOpacity(self, float)¶
- setWindowRole(self, str)¶
- setWindowState(self, 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 = <PyQt6.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(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) None
- update(self, QRegion) None
- SpinTreatmentWidget.update(self, int, int, int, int) -> None
- updateGeometry(self)¶
- updateMicroFocus(self, query: Qt.InputMethodQuery = Qt.ImQueryAll)¶
- updatesEnabled(self) bool¶
- visibleRegion(self) QRegion¶
- whatsThis(self) str¶
- wheelEvent(self, QWheelEvent)¶
- width(self) int¶
- widthMM(self) int¶
- winId(self) PyQt6.sip.voidptr¶
- window(self) QWidget¶
- windowFilePath(self) str¶
- windowFlags(self) Qt.WindowType¶
- 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.WindowState¶
- windowTitle(self) str¶
- windowTitleChanged¶
windowTitleChanged(self, str) [signal]
- windowType(self) Qt.WindowType¶
- x(self) int¶
- y(self) int¶
- class schrodinger.application.jaguar.gui.theory_tab_widgets.ExcitedStateWidget(parent)¶
Bases:
PyQt6.QtWidgets.QWidgetThis widget allows user to specify ‘Excited state’ options.
- Variables
excited_state_changed (
PyQt5.QtCore.pyqtSignal) – A signal indicating that the state of the ‘Excited state’ toggle has changed.
- CALCULATION_MODE = {'Full linear response': 0, 'Tamm-Dancoff approximation': 1}¶
- excited_state_changed¶
- __init__(parent)¶
Initialize widget.
- Parameters
parent (QtCore.QObject) – parent of this dialog.
- populateExcitedStatesType(es_types)¶
This function is called to populate combo box that contains excited states types.
- Parameters
es_types (
collections.OrderedDict) – dictionary that contains names of excited states types and corresponding mmjag keywords.
- enableExcitedStatesType(enable)¶
This function is used to enable/disable combo box that defines excited states type and its label.
- Parameters
enable (bool) – True or False to enable or disable widgets
- getExcitedState()¶
Return whether excited state check box is checked or not
- Returns
state of excited state check box
- Return type
bool
- enableExcitedState(enable)¶
This function is used to enable/disable TDDFT check box and excited state combo box. When TDDFT check box is disabled it will also get unchecked.
- Parameters
enable (bool) – True or False to enable or disable widgets
- getMmJagKeywords()¶
This function returns dictionary of mmjag keywords for this widget.
- Returns
mmjag keywords dictionary
- Return type
dict
- loadSettings(jag_input)¶
Restore Excited state settings from Jaguar handle.
- Parameters
jag_input (
schrodinger.application.jaguar.input.JaguarInput) – The Jaguar settings to base the widget settings on
- setExcitedStateCheckBoxText(txt)¶
Set text for the excited state check box widget. This method is needed since we want to show different text in the Optimization task.
- Parameters
txt (str) – excited state check box text
- DrawChildren = 2¶
- DrawWindowBackground = 1¶
- IgnoreMask = 4¶
- class PaintDeviceMetric(value)¶
Bases:
enum.EnumAn enumeration.
- PdmWidth = 1¶
- PdmHeight = 2¶
- PdmWidthMM = 3¶
- PdmHeightMM = 4¶
- PdmNumColors = 5¶
- PdmDepth = 6¶
- PdmDpiX = 7¶
- PdmDpiY = 8¶
- PdmPhysicalDpiX = 9¶
- PdmPhysicalDpiY = 10¶
- PdmDevicePixelRatio = 11¶
- PdmDevicePixelRatioScaled = 12¶
- 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(value)¶
Bases:
enum.FlagAn enumeration.
- DrawWindowBackground = 1¶
- DrawChildren = 2¶
- IgnoreMask = 4¶
- 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)¶
- autoFillBackground(self) bool¶
- backgroundRole(self) QPalette.ColorRole¶
- baseSize(self) QSize¶
- blockSignals(self, bool) bool¶
- changeEvent(self, QEvent)¶
- childAt(self, QPoint) QWidget¶
- ExcitedStateWidget.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: PyQt6.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)¶
- createWindowContainer(QWindow, parent: QWidget = None, flags: Qt.WindowType = Qt.WindowFlags()) 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) float¶
- devicePixelRatioF(self) float¶
- devicePixelRatioFScale() float¶
- disconnect(QMetaObject.Connection) bool¶
- disconnect(self) None
- 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) PyQt6.sip.voidptr¶
- ensurePolished(self)¶
- enterEvent(self, QEnterEvent)¶
- event(self, QEvent) bool¶
- eventFilter(self, QObject, QEvent) bool¶
- find(PyQt6.sip.voidptr) QWidget¶
- findChild(self, type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) QObject¶
- findChild(self, Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) QObject
- findChildren(self, type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) List[QObject]¶
- findChildren(self, Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) List[QObject]
- findChildren(self, type, QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) List[QObject]
- findChildren(self, Tuple, QRegularExpression, options: 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¶
- frameSize(self) QSize¶
- geometry(self) QRect¶
- grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(- 1, - 1))) QPixmap¶
- grabGesture(self, Qt.GestureType, flags: Qt.GestureFlag = Qt.GestureFlags())¶
- grabKeyboard(self)¶
- grabMouse(self)¶
- grabMouse(self, Union[QCursor, Qt.CursorShape]) None
- 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)¶
- inputMethodEvent(self, QInputMethodEvent)¶
- inputMethodHints(self) Qt.InputMethodHint¶
- inputMethodQuery(self, Qt.InputMethodQuery) Any¶
- ExcitedStateWidget.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)¶
- locale(self) QLocale¶
- logicalDpiX(self) int¶
- logicalDpiY(self) int¶
- lower(self)¶
- mapFrom(self, QWidget, QPoint) QPoint¶
- mapFrom(self, QWidget, QPointF) QPointF
- mapFromGlobal(self, QPoint) QPoint¶
- mapFromGlobal(self, QPointF) QPointF
- mapFromParent(self, QPoint) QPoint¶
- mapFromParent(self, QPointF) QPointF
- mapTo(self, QWidget, QPoint) QPoint¶
- mapTo(self, QWidget, QPointF) QPointF
- mapToGlobal(self, QPoint) QPoint¶
- mapToGlobal(self, QPointF) QPointF
- mapToParent(self, QPoint) QPoint¶
- mapToParent(self, QPointF) QPointF
- 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)¶
- ExcitedStateWidget.move(self, int, int) -> None
- moveEvent(self, QMoveEvent)¶
- moveToThread(self, QThread)¶
- nativeEvent(self, QByteArray, PyQt6.sip.voidptr) Tuple[bool, PyQt6.sip.voidptr]¶
- nativeParentWidget(self) QWidget¶
- nextInFocusChain(self) QWidget¶
- normalGeometry(self) QRect¶
- objectName(self) str¶
- objectNameChanged¶
objectNameChanged(self, str) [signal]
- overrideWindowFlags(self, Qt.WindowType)¶
- overrideWindowState(self, 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: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren))¶
- render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren)) None
- repaint(self)¶
- ExcitedStateWidget.repaint(self, int, int, int, int) -> None
- repaint(self, QRect) None
- repaint(self, QRegion) None
- resize(self, QSize)¶
- ExcitedStateWidget.resize(self, int, int) -> None
- resizeEvent(self, QResizeEvent)¶
- restoreGeometry(self, QByteArray) bool¶
- saveGeometry(self) QByteArray¶
- screen(self) QScreen¶
- ExcitedStateWidget.scroll(self, int, int)
- ExcitedStateWidget.scroll(self, int, int, QRect) -> None
- 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)¶
- ExcitedStateWidget.setBaseSize(self, int, int)
- setBaseSize(self, QSize) None¶
- ExcitedStateWidget.setContentsMargins(self, int, int, int, int)
- setContentsMargins(self, QMargins) None¶
- setContextMenuPolicy(self, Qt.ContextMenuPolicy)¶
- setCursor(self, Union[QCursor, Qt.CursorShape])¶
- setDisabled(self, bool)¶
- setEnabled(self, bool)¶
- setFixedHeight(self, int)¶
- setFixedSize(self, QSize)¶
- ExcitedStateWidget.setFixedSize(self, int, int) -> None
- setFixedWidth(self, int)¶
- setFocus(self)¶
- setFocus(self, Qt.FocusReason) None
- setFocusPolicy(self, Qt.FocusPolicy)¶
- setFocusProxy(self, QWidget)¶
- setFont(self, QFont)¶
- setForegroundRole(self, QPalette.ColorRole)¶
- setGeometry(self, QRect)¶
- ExcitedStateWidget.setGeometry(self, int, int, int, int) -> None
- setGraphicsEffect(self, QGraphicsEffect)¶
- setHidden(self, bool)¶
- setInputMethodHints(self, Qt.InputMethodHint)¶
- setLayout(self, QLayout)¶
- setLayoutDirection(self, Qt.LayoutDirection)¶
- setLocale(self, QLocale)¶
- setMask(self, QBitmap)¶
- setMask(self, QRegion) None
- setMaximumHeight(self, int)¶
- ExcitedStateWidget.setMaximumSize(self, int, int)
- setMaximumSize(self, QSize) None¶
- setMaximumWidth(self, int)¶
- setMinimumHeight(self, int)¶
- ExcitedStateWidget.setMinimumSize(self, int, int)
- setMinimumSize(self, QSize) None¶
- setMinimumWidth(self, int)¶
- setMouseTracking(self, bool)¶
- setObjectName(self, str)¶
- setPalette(self, QPalette)¶
- setParent(self, QWidget)¶
- setParent(self, QWidget, Qt.WindowType) None
- setProperty(self, str, Any) bool¶
- setScreen(self, QScreen)¶
- setShortcutAutoRepeat(self, int, enabled: bool = True)¶
- setShortcutEnabled(self, int, enabled: bool = True)¶
- ExcitedStateWidget.setSizeIncrement(self, int, int)
- setSizeIncrement(self, QSize) None¶
- setSizePolicy(self, QSizePolicy)¶
- setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy) None
- setStatusTip(self, str)¶
- setStyle(self, QStyle)¶
- setStyleSheet(self, str)¶
- ExcitedStateWidget.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, Qt.WindowType)¶
- setWindowIcon(self, QIcon)¶
- setWindowIconText(self, str)¶
- setWindowModality(self, Qt.WindowModality)¶
- setWindowModified(self, bool)¶
- setWindowOpacity(self, float)¶
- setWindowRole(self, str)¶
- setWindowState(self, 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 = <PyQt6.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(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) None
- update(self, QRegion) None
- ExcitedStateWidget.update(self, int, int, int, int) -> None
- updateGeometry(self)¶
- updateMicroFocus(self, query: Qt.InputMethodQuery = Qt.ImQueryAll)¶
- updatesEnabled(self) bool¶
- visibleRegion(self) QRegion¶
- whatsThis(self) str¶
- wheelEvent(self, QWheelEvent)¶
- width(self) int¶
- widthMM(self) int¶
- winId(self) PyQt6.sip.voidptr¶
- window(self) QWidget¶
- windowFilePath(self) str¶
- windowFlags(self) Qt.WindowType¶
- 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.WindowState¶
- windowTitle(self) str¶
- windowTitleChanged¶
windowTitleChanged(self, str) [signal]
- windowType(self) Qt.WindowType¶
- x(self) int¶
- y(self) int¶
- class schrodinger.application.jaguar.gui.theory_tab_widgets.HFExcitedStateWidget(parent)¶
Bases:
schrodinger.application.jaguar.gui.theory_tab_widgets.ExcitedStateWidgetThis widget differs from the parent only by some text, which is specific to HF theory level.
- EXCITED_STATE_TEXT = 'Excited state (TDHF)'¶
- MAXIMUM_ITER_TEXT = 'Maximum TDHF iterations:'¶
- __init__(parent)¶
Initialize widget.
- Parameters
parent (QtCore.QObject) – parent of this dialog.
- CALCULATION_MODE = {'Full linear response': 0, 'Tamm-Dancoff approximation': 1}¶
- DrawChildren = 2¶
- DrawWindowBackground = 1¶
- IgnoreMask = 4¶
- class PaintDeviceMetric(value)¶
Bases:
enum.EnumAn enumeration.
- PdmWidth = 1¶
- PdmHeight = 2¶
- PdmWidthMM = 3¶
- PdmHeightMM = 4¶
- PdmNumColors = 5¶
- PdmDepth = 6¶
- PdmDpiX = 7¶
- PdmDpiY = 8¶
- PdmPhysicalDpiX = 9¶
- PdmPhysicalDpiY = 10¶
- PdmDevicePixelRatio = 11¶
- PdmDevicePixelRatioScaled = 12¶
- 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(value)¶
Bases:
enum.FlagAn enumeration.
- DrawWindowBackground = 1¶
- DrawChildren = 2¶
- IgnoreMask = 4¶
- 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)¶
- autoFillBackground(self) bool¶
- backgroundRole(self) QPalette.ColorRole¶
- baseSize(self) QSize¶
- blockSignals(self, bool) bool¶
- changeEvent(self, QEvent)¶
- childAt(self, QPoint) QWidget¶
- HFExcitedStateWidget.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: PyQt6.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)¶
- createWindowContainer(QWindow, parent: QWidget = None, flags: Qt.WindowType = Qt.WindowFlags()) 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) float¶
- devicePixelRatioF(self) float¶
- devicePixelRatioFScale() float¶
- disconnect(QMetaObject.Connection) bool¶
- disconnect(self) None
- 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) PyQt6.sip.voidptr¶
- enableExcitedState(enable)¶
This function is used to enable/disable TDDFT check box and excited state combo box. When TDDFT check box is disabled it will also get unchecked.
- Parameters
enable (bool) – True or False to enable or disable widgets
- enableExcitedStatesType(enable)¶
This function is used to enable/disable combo box that defines excited states type and its label.
- Parameters
enable (bool) – True or False to enable or disable widgets
- ensurePolished(self)¶
- enterEvent(self, QEnterEvent)¶
- event(self, QEvent) bool¶
- eventFilter(self, QObject, QEvent) bool¶
- excited_state_changed¶
- find(PyQt6.sip.voidptr) QWidget¶
- findChild(self, type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) QObject¶
- findChild(self, Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) QObject
- findChildren(self, type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) List[QObject]¶
- findChildren(self, Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) List[QObject]
- findChildren(self, type, QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) List[QObject]
- findChildren(self, Tuple, QRegularExpression, options: 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¶
- frameSize(self) QSize¶
- geometry(self) QRect¶
- getExcitedState()¶
Return whether excited state check box is checked or not
- Returns
state of excited state check box
- Return type
bool
- getMmJagKeywords()¶
This function returns dictionary of mmjag keywords for this widget.
- Returns
mmjag keywords dictionary
- Return type
dict
- grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(- 1, - 1))) QPixmap¶
- grabGesture(self, Qt.GestureType, flags: Qt.GestureFlag = Qt.GestureFlags())¶
- grabKeyboard(self)¶
- grabMouse(self)¶
- grabMouse(self, Union[QCursor, Qt.CursorShape]) None
- 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)¶
- inputMethodEvent(self, QInputMethodEvent)¶
- inputMethodHints(self) Qt.InputMethodHint¶
- inputMethodQuery(self, Qt.InputMethodQuery) Any¶
- HFExcitedStateWidget.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)¶
- loadSettings(jag_input)¶
Restore Excited state settings from Jaguar handle.
- Parameters
jag_input (
schrodinger.application.jaguar.input.JaguarInput) – The Jaguar settings to base the widget settings on
- locale(self) QLocale¶
- logicalDpiX(self) int¶
- logicalDpiY(self) int¶
- lower(self)¶
- mapFrom(self, QWidget, QPoint) QPoint¶
- mapFrom(self, QWidget, QPointF) QPointF
- mapFromGlobal(self, QPoint) QPoint¶
- mapFromGlobal(self, QPointF) QPointF
- mapFromParent(self, QPoint) QPoint¶
- mapFromParent(self, QPointF) QPointF
- mapTo(self, QWidget, QPoint) QPoint¶
- mapTo(self, QWidget, QPointF) QPointF
- mapToGlobal(self, QPoint) QPoint¶
- mapToGlobal(self, QPointF) QPointF
- mapToParent(self, QPoint) QPoint¶
- mapToParent(self, QPointF) QPointF
- 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)¶
- HFExcitedStateWidget.move(self, int, int) -> None
- moveEvent(self, QMoveEvent)¶
- moveToThread(self, QThread)¶
- nativeEvent(self, QByteArray, PyQt6.sip.voidptr) Tuple[bool, PyQt6.sip.voidptr]¶
- nativeParentWidget(self) QWidget¶
- nextInFocusChain(self) QWidget¶
- normalGeometry(self) QRect¶
- objectName(self) str¶
- objectNameChanged¶
objectNameChanged(self, str) [signal]
- overrideWindowFlags(self, Qt.WindowType)¶
- overrideWindowState(self, 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¶
- populateExcitedStatesType(es_types)¶
This function is called to populate combo box that contains excited states types.
- Parameters
es_types (
collections.OrderedDict) – dictionary that contains names of excited states types and corresponding mmjag keywords.
- 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: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren))¶
- render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren)) None
- repaint(self)¶
- HFExcitedStateWidget.repaint(self, int, int, int, int) -> None
- repaint(self, QRect) None
- repaint(self, QRegion) None
- resize(self, QSize)¶
- HFExcitedStateWidget.resize(self, int, int) -> None
- resizeEvent(self, QResizeEvent)¶
- restoreGeometry(self, QByteArray) bool¶
- saveGeometry(self) QByteArray¶
- screen(self) QScreen¶
- HFExcitedStateWidget.scroll(self, int, int)
- HFExcitedStateWidget.scroll(self, int, int, QRect) -> None
- 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)¶
- HFExcitedStateWidget.setBaseSize(self, int, int)
- setBaseSize(self, QSize) None¶
- HFExcitedStateWidget.setContentsMargins(self, int, int, int, int)
- setContentsMargins(self, QMargins) None¶
- setContextMenuPolicy(self, Qt.ContextMenuPolicy)¶
- setCursor(self, Union[QCursor, Qt.CursorShape])¶
- setDisabled(self, bool)¶
- setEnabled(self, bool)¶
- setExcitedStateCheckBoxText(txt)¶
Set text for the excited state check box widget. This method is needed since we want to show different text in the Optimization task.
- Parameters
txt (str) – excited state check box text
- setFixedHeight(self, int)¶
- setFixedSize(self, QSize)¶
- HFExcitedStateWidget.setFixedSize(self, int, int) -> None
- setFixedWidth(self, int)¶
- setFocus(self)¶
- setFocus(self, Qt.FocusReason) None
- setFocusPolicy(self, Qt.FocusPolicy)¶
- setFocusProxy(self, QWidget)¶
- setFont(self, QFont)¶
- setForegroundRole(self, QPalette.ColorRole)¶
- setGeometry(self, QRect)¶
- HFExcitedStateWidget.setGeometry(self, int, int, int, int) -> None
- setGraphicsEffect(self, QGraphicsEffect)¶
- setHidden(self, bool)¶
- setInputMethodHints(self, Qt.InputMethodHint)¶
- setLayout(self, QLayout)¶
- setLayoutDirection(self, Qt.LayoutDirection)¶
- setLocale(self, QLocale)¶
- setMask(self, QBitmap)¶
- setMask(self, QRegion) None
- setMaximumHeight(self, int)¶
- HFExcitedStateWidget.setMaximumSize(self, int, int)
- setMaximumSize(self, QSize) None¶
- setMaximumWidth(self, int)¶
- setMinimumHeight(self, int)¶
- HFExcitedStateWidget.setMinimumSize(self, int, int)
- setMinimumSize(self, QSize) None¶
- setMinimumWidth(self, int)¶
- setMouseTracking(self, bool)¶
- setObjectName(self, str)¶
- setPalette(self, QPalette)¶
- setParent(self, QWidget)¶
- setParent(self, QWidget, Qt.WindowType) None
- setProperty(self, str, Any) bool¶
- setScreen(self, QScreen)¶
- setShortcutAutoRepeat(self, int, enabled: bool = True)¶
- setShortcutEnabled(self, int, enabled: bool = True)¶
- HFExcitedStateWidget.setSizeIncrement(self, int, int)
- setSizeIncrement(self, QSize) None¶
- setSizePolicy(self, QSizePolicy)¶
- setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy) None
- setStatusTip(self, str)¶
- setStyle(self, QStyle)¶
- setStyleSheet(self, str)¶
- HFExcitedStateWidget.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, Qt.WindowType)¶
- setWindowIcon(self, QIcon)¶
- setWindowIconText(self, str)¶
- setWindowModality(self, Qt.WindowModality)¶
- setWindowModified(self, bool)¶
- setWindowOpacity(self, float)¶
- setWindowRole(self, str)¶
- setWindowState(self, 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 = <PyQt6.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(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) None
- update(self, QRegion) None
- HFExcitedStateWidget.update(self, int, int, int, int) -> None
- updateGeometry(self)¶
- updateMicroFocus(self, query: Qt.InputMethodQuery = Qt.ImQueryAll)¶
- updatesEnabled(self) bool¶
- visibleRegion(self) QRegion¶
- whatsThis(self) str¶
- wheelEvent(self, QWheelEvent)¶
- width(self) int¶
- widthMM(self) int¶
- winId(self) PyQt6.sip.voidptr¶
- window(self) QWidget¶
- windowFilePath(self) str¶
- windowFlags(self) Qt.WindowType¶
- 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.WindowState¶
- windowTitle(self) str¶
- windowTitleChanged¶
windowTitleChanged(self, str) [signal]
- windowType(self) Qt.WindowType¶
- x(self) int¶
- y(self) int¶
- class schrodinger.application.jaguar.gui.theory_tab_widgets.SpinExcitedStateController(spin_widget, es_widget, h_widget)¶
Bases:
objectController to facilitate interaction between widget that defines spin treatment options, excited state widget and Hamiltonian widget. This controller is needed because excited states type combo box needs to be enabled or disabled depending on the state of spin treatment, excited state checkbox, and Hamiltonian combo box. This controller is also used to set and get mmjag keywords.
- __init__(spin_widget, es_widget, h_widget)¶
Initialize controller, which takes spin treatment widget and excited state widgets as arguments and establishes connection between the two.
- Parameters
spin_widget (
SpinRestrictedWidget) – widget that defines sping treatment optionses_widget – widget that defines excited state options
h_widget (
EnhancedComboBox) – combo box that defines Hamiltonian
- Type
es_widget:
ExcitedStateWidget
- checkExcitedStatesType()¶
This function checks whether excited states type widgets should be disabled.
- getMmJagKeywords()¶
This function returns dictionary of mmjag keywords for both spin restricted and excited state widgets.
- Returns
mmjag keywords dictionary
- Return type
dict
- loadSettings(jag_input)¶
Convenience function that allows to specify both spin treatment and excited state options from a given jaguar handle.
- Parameters
jag_input (
schrodinger.application.jaguar.input.JaguarInput) – The Jaguar settings to base the widget settings on