schrodinger.ui.qt.rdmol_views module

class schrodinger.ui.qt.rdmol_views.RDMolStructureItem(parent: Optional[PyQt6.QtWidgets.QGraphicsItem] = None)

Bases: PyQt6.QtWidgets.QGraphicsItem

Graphics item that displays a 2D structure image using a RdMolDelegate.

__init__(parent: Optional[PyQt6.QtWidgets.QGraphicsItem] = None)
getRDMol() → Optional[rdkit.Chem.rdchem.Mol]
Returns

the ligand structure currently stored on this object

setRDMol(rdmol: Optional[rdkit.Chem.rdchem.Mol])

Assign a new ligand structure.

Parameters

  • rdmol – optionally, a Mol instance to render into a 2D image; if None, this widget will not render an image

  • update – whether to update the displayed image

getAtomHighlights() → Tuple[Optional[Tuple[int]], Optional[Tuple[int]]]
Returns

a tuple containing the highlighted atom indices and highlight color (in RGB form) currently stored on this object

setAtomHighlights(atom_idcs: Optional[Tuple[int]], color: Optional[Tuple[int]])

Assign the highlighted atoms and highlighting color for the image.

Parameters

  • atom_idcs – indices of the atoms to be highlighted

  • color – color (in RGB form) to use for drawing highlighted atoms

  • update – whether to update the displayed image

setImageDelegate(delegate: schrodinger.ui.qt.delegates.RdMolDelegate)

Assign a delegate that can be used to provide 2D structure images.

Parameters

  • delegate – optionally, a delegate instance. If None, this widget will not render an image

  • update – whether to update the displayed image

boundingRect() → PyQt6.QtCore.QRectF
Returns

the area into which the structure image is rendered

setBoundingRect(rect: PyQt6.QtCore.QRectF)
Parameters

rect – set the area into which the structure image is rendered

paint(self, QPainter, QStyleOptionGraphicsItem, widget: QWidget = None)
class CacheMode(value)

Bases: enum.Enum

An enumeration.

NoCache = 0
ItemCoordinateCache = 1
DeviceCoordinateCache = 2
DeviceCoordinateCache = 2
class GraphicsItemChange(value)

Bases: enum.Enum

An enumeration.

ItemPositionChange = 0
ItemVisibleChange = 2
ItemEnabledChange = 3
ItemSelectedChange = 4
ItemParentChange = 5
ItemChildAddedChange = 6
ItemChildRemovedChange = 7
ItemTransformChange = 8
ItemPositionHasChanged = 9
ItemTransformHasChanged = 10
ItemSceneChange = 11
ItemVisibleHasChanged = 12
ItemEnabledHasChanged = 13
ItemSelectedHasChanged = 14
ItemParentHasChanged = 15
ItemSceneHasChanged = 16
ItemCursorChange = 17
ItemCursorHasChanged = 18
ItemToolTipChange = 19
ItemToolTipHasChanged = 20
ItemFlagsChange = 21
ItemFlagsHaveChanged = 22
ItemZValueChange = 23
ItemZValueHasChanged = 24
ItemOpacityChange = 25
ItemOpacityHasChanged = 26
ItemScenePositionHasChanged = 27
ItemRotationChange = 28
ItemRotationHasChanged = 29
ItemScaleChange = 30
ItemScaleHasChanged = 31
ItemTransformOriginPointChange = 32
ItemTransformOriginPointHasChanged = 33
class GraphicsItemFlag(value)

Bases: enum.Flag

An enumeration.

ItemIsMovable = 1
ItemIsSelectable = 2
ItemIsFocusable = 4
ItemClipsToShape = 8
ItemClipsChildrenToShape = 16
ItemIgnoresTransformations = 32
ItemIgnoresParentOpacity = 64
ItemDoesntPropagateOpacityToChildren = 128
ItemStacksBehindParent = 256
ItemUsesExtendedStyleOption = 512
ItemHasNoContents = 1024
ItemSendsGeometryChanges = 2048
ItemAcceptsInputMethod = 4096
ItemNegativeZStacksBehindParent = 8192
ItemIsPanel = 16384
ItemSendsScenePositionChanges = 65536
ItemContainsChildrenInShape = 524288
ItemAcceptsInputMethod = 4096
ItemChildAddedChange = 6
ItemChildRemovedChange = 7
ItemClipsChildrenToShape = 16
ItemClipsToShape = 8
ItemContainsChildrenInShape = 524288
ItemCoordinateCache = 1
ItemCursorChange = 17
ItemCursorHasChanged = 18
ItemDoesntPropagateOpacityToChildren = 128
ItemEnabledChange = 3
ItemEnabledHasChanged = 13
ItemFlagsChange = 21
ItemFlagsHaveChanged = 22
ItemHasNoContents = 1024
ItemIgnoresParentOpacity = 64
ItemIgnoresTransformations = 32
ItemIsFocusable = 4
ItemIsMovable = 1
ItemIsPanel = 16384
ItemIsSelectable = 2
ItemNegativeZStacksBehindParent = 8192
ItemOpacityChange = 25
ItemOpacityHasChanged = 26
ItemParentChange = 5
ItemParentHasChanged = 15
ItemPositionChange = 0
ItemPositionHasChanged = 9
ItemRotationChange = 28
ItemRotationHasChanged = 29
ItemScaleChange = 30
ItemScaleHasChanged = 31
ItemSceneChange = 11
ItemSceneHasChanged = 16
ItemScenePositionHasChanged = 27
ItemSelectedChange = 4
ItemSelectedHasChanged = 14
ItemSendsGeometryChanges = 2048
ItemSendsScenePositionChanges = 65536
ItemStacksBehindParent = 256
ItemToolTipChange = 19
ItemToolTipHasChanged = 20
ItemTransformChange = 8
ItemTransformHasChanged = 10
ItemTransformOriginPointChange = 32
ItemTransformOriginPointHasChanged = 33
ItemUsesExtendedStyleOption = 512
ItemVisibleChange = 2
ItemVisibleHasChanged = 12
ItemZValueChange = 23
ItemZValueHasChanged = 24
NoCache = 0
NonModal = 0
PanelModal = 1
class PanelModality(value)

Bases: enum.Enum

An enumeration.

NonModal = 0
PanelModal = 1
SceneModal = 2
SceneModal = 2
Type = 1
UserType = 65536
acceptDrops(self) → bool
acceptHoverEvents(self) → bool
acceptTouchEvents(self) → bool
acceptedMouseButtons(self) → Qt.MouseButton
advance(self, int)
boundingRegion(self, QTransform) → QRegion
boundingRegionGranularity(self) → float
cacheMode(self) → QGraphicsItem.CacheMode
childItems(self) → List[QGraphicsItem]
childrenBoundingRect(self) → QRectF
clearFocus(self)
clipPath(self) → QPainterPath
collidesWithItem(self, QGraphicsItem, mode: Qt.ItemSelectionMode = Qt.IntersectsItemShape) → bool
collidesWithPath(self, QPainterPath, mode: Qt.ItemSelectionMode = Qt.IntersectsItemShape) → bool
collidingItems(self, mode: Qt.ItemSelectionMode = Qt.IntersectsItemShape) → List[QGraphicsItem]
commonAncestorItem(self, QGraphicsItem) → QGraphicsItem
contains(self, QPointF) → bool
contextMenuEvent(self, QGraphicsSceneContextMenuEvent)
cursor(self) → QCursor
data(self, int) → Any
deviceTransform(self, QTransform) → QTransform
dragEnterEvent(self, QGraphicsSceneDragDropEvent)
dragLeaveEvent(self, QGraphicsSceneDragDropEvent)
dragMoveEvent(self, QGraphicsSceneDragDropEvent)
dropEvent(self, QGraphicsSceneDragDropEvent)
effectiveOpacity(self) → float
ensureVisible(self, rect: QRectF = QRectF(), xMargin: int = 50, yMargin: int = 50)
RDMolStructureItem.ensureVisible(self, float, float, float, float, xMargin: int = 50, yMargin: int = 50) -> None
filtersChildEvents(self) → bool
flags(self) → QGraphicsItem.GraphicsItemFlag
focusInEvent(self, QFocusEvent)
focusItem(self) → QGraphicsItem
focusOutEvent(self, QFocusEvent)
focusProxy(self) → QGraphicsItem
grabKeyboard(self)
grabMouse(self)
graphicsEffect(self) → QGraphicsEffect
group(self) → QGraphicsItemGroup
hasCursor(self) → bool
hasFocus(self) → bool
hide(self)
hoverEnterEvent(self, QGraphicsSceneHoverEvent)
hoverLeaveEvent(self, QGraphicsSceneHoverEvent)
hoverMoveEvent(self, QGraphicsSceneHoverEvent)
inputMethodEvent(self, QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHint
inputMethodQuery(self, Qt.InputMethodQuery) → Any
installSceneEventFilter(self, QGraphicsItem)
isActive(self) → bool
isAncestorOf(self, QGraphicsItem) → bool
isBlockedByModalPanel(self) → Tuple[bool, QGraphicsItem]
isClipped(self) → bool
isEnabled(self) → bool
isObscured(self, rect: QRectF = QRectF()) → bool
RDMolStructureItem.isObscured(self, float, float, float, float) -> bool
isObscuredBy(self, QGraphicsItem) → bool
isPanel(self) → bool
isSelected(self) → bool
isUnderMouse(self) → bool
isVisible(self) → bool
isVisibleTo(self, QGraphicsItem) → bool
isWidget(self) → bool
isWindow(self) → bool
itemChange(self, QGraphicsItem.GraphicsItemChange, Any) → Any
itemTransform(self, QGraphicsItem) → Tuple[QTransform, bool]
keyPressEvent(self, QKeyEvent)
keyReleaseEvent(self, QKeyEvent)
mapFromItem(self, QGraphicsItem, QPointF) → QPointF
mapFromItem(self, QGraphicsItem, QRectF) → QPolygonF
mapFromItem(self, QGraphicsItem, QPolygonF) → QPolygonF
mapFromItem(self, QGraphicsItem, QPainterPath) → QPainterPath
RDMolStructureItem.mapFromItem(self, QGraphicsItem, float, float) -> QPointF
RDMolStructureItem.mapFromItem(self, QGraphicsItem, float, float, float, float) -> QPolygonF
mapFromParent(self, QPointF) → QPointF
mapFromParent(self, QRectF) → QPolygonF
mapFromParent(self, QPolygonF) → QPolygonF
mapFromParent(self, QPainterPath) → QPainterPath
RDMolStructureItem.mapFromParent(self, float, float) -> QPointF
RDMolStructureItem.mapFromParent(self, float, float, float, float) -> QPolygonF
mapFromScene(self, QPointF) → QPointF
mapFromScene(self, QRectF) → QPolygonF
mapFromScene(self, QPolygonF) → QPolygonF
mapFromScene(self, QPainterPath) → QPainterPath
RDMolStructureItem.mapFromScene(self, float, float) -> QPointF
RDMolStructureItem.mapFromScene(self, float, float, float, float) -> QPolygonF
mapRectFromItem(self, QGraphicsItem, QRectF) → QRectF
RDMolStructureItem.mapRectFromItem(self, QGraphicsItem, float, float, float, float) -> QRectF
mapRectFromParent(self, QRectF) → QRectF
RDMolStructureItem.mapRectFromParent(self, float, float, float, float) -> QRectF
mapRectFromScene(self, QRectF) → QRectF
RDMolStructureItem.mapRectFromScene(self, float, float, float, float) -> QRectF
mapRectToItem(self, QGraphicsItem, QRectF) → QRectF
RDMolStructureItem.mapRectToItem(self, QGraphicsItem, float, float, float, float) -> QRectF
mapRectToParent(self, QRectF) → QRectF
RDMolStructureItem.mapRectToParent(self, float, float, float, float) -> QRectF
mapRectToScene(self, QRectF) → QRectF
RDMolStructureItem.mapRectToScene(self, float, float, float, float) -> QRectF
mapToItem(self, QGraphicsItem, QPointF) → QPointF
mapToItem(self, QGraphicsItem, QRectF) → QPolygonF
mapToItem(self, QGraphicsItem, QPolygonF) → QPolygonF
mapToItem(self, QGraphicsItem, QPainterPath) → QPainterPath
RDMolStructureItem.mapToItem(self, QGraphicsItem, float, float) -> QPointF
RDMolStructureItem.mapToItem(self, QGraphicsItem, float, float, float, float) -> QPolygonF
mapToParent(self, QPointF) → QPointF
mapToParent(self, QRectF) → QPolygonF
mapToParent(self, QPolygonF) → QPolygonF
mapToParent(self, QPainterPath) → QPainterPath
RDMolStructureItem.mapToParent(self, float, float) -> QPointF
RDMolStructureItem.mapToParent(self, float, float, float, float) -> QPolygonF
mapToScene(self, QPointF) → QPointF
mapToScene(self, QRectF) → QPolygonF
mapToScene(self, QPolygonF) → QPolygonF
mapToScene(self, QPainterPath) → QPainterPath
RDMolStructureItem.mapToScene(self, float, float) -> QPointF
RDMolStructureItem.mapToScene(self, float, float, float, float) -> QPolygonF
mouseDoubleClickEvent(self, QGraphicsSceneMouseEvent)
mouseMoveEvent(self, QGraphicsSceneMouseEvent)
mousePressEvent(self, QGraphicsSceneMouseEvent)
mouseReleaseEvent(self, QGraphicsSceneMouseEvent)
RDMolStructureItem.moveBy(self, float, float)
opacity(self) → float
opaqueArea(self) → QPainterPath
panel(self) → QGraphicsItem
panelModality(self) → QGraphicsItem.PanelModality
parentItem(self) → QGraphicsItem
parentObject(self) → QGraphicsObject
parentWidget(self) → QGraphicsWidget
pos(self) → QPointF
prepareGeometryChange(self)
removeSceneEventFilter(self, QGraphicsItem)
resetTransform(self)
rotation(self) → float
scale(self) → float
scene(self) → QGraphicsScene
sceneBoundingRect(self) → QRectF
sceneEvent(self, QEvent) → bool
sceneEventFilter(self, QGraphicsItem, QEvent) → bool
scenePos(self) → QPointF
sceneTransform(self) → QTransform
RDMolStructureItem.scroll(self, float, float, rect: QRectF = QRectF())
setAcceptDrops(self, bool)
setAcceptHoverEvents(self, bool)
setAcceptTouchEvents(self, bool)
setAcceptedMouseButtons(self, Qt.MouseButton)
setActive(self, bool)
setBoundingRegionGranularity(self, float)
setCacheMode(self, QGraphicsItem.CacheMode, logicalCacheSize: QSize = QSize())
setCursor(self, Union[QCursor, Qt.CursorShape])
setData(self, int, Any)
setEnabled(self, bool)
setFiltersChildEvents(self, bool)
setFlag(self, QGraphicsItem.GraphicsItemFlag, enabled: bool = True)
setFlags(self, QGraphicsItem.GraphicsItemFlag)
setFocus(self, focusReason: Qt.FocusReason = Qt.OtherFocusReason)
setFocusProxy(self, QGraphicsItem)
setGraphicsEffect(self, QGraphicsEffect)
setGroup(self, QGraphicsItemGroup)
setInputMethodHints(self, Qt.InputMethodHint)
setOpacity(self, float)
setPanelModality(self, QGraphicsItem.PanelModality)
setParentItem(self, QGraphicsItem)
setPos(self, QPointF)
RDMolStructureItem.setPos(self, float, float) -> None
setRotation(self, float)
setScale(self, float)
setSelected(self, bool)
setToolTip(self, str)
setTransform(self, QTransform, combine: bool = False)
setTransformOriginPoint(self, QPointF)
RDMolStructureItem.setTransformOriginPoint(self, float, float) -> None
setTransformations(self, Iterable[QGraphicsTransform])
setVisible(self, bool)
setX(self, float)
setY(self, float)
setZValue(self, float)
shape(self) → QPainterPath
show(self)
stackBefore(self, QGraphicsItem)
toGraphicsObject(self) → QGraphicsObject
toolTip(self) → str
topLevelItem(self) → QGraphicsItem
topLevelWidget(self) → QGraphicsWidget
transform(self) → QTransform
transformOriginPoint(self) → QPointF
transformations(self) → List[QGraphicsTransform]
type(self) → int
ungrabKeyboard(self)
ungrabMouse(self)
unsetCursor(self)
update(self, rect: QRectF = QRectF())
RDMolStructureItem.update(self, float, float, float, float) -> None
updateMicroFocus(self)
wheelEvent(self, QGraphicsSceneWheelEvent)
window(self) → QGraphicsWidget
x(self) → float
y(self) → float
zValue(self) → float
class schrodinger.ui.qt.rdmol_views.AbstractRDMolImageLabel(parent: Optional[PyQt6.QtWidgets.QWidget] = None)

Bases: PyQt6.QtWidgets.QLabel

Abstract widget that draws 2D molecule images within the content rectangle using RdMolDelegate.

In order to show any image, an instance must be assigned a RdMolDelegate instance (using setImageDelegate()) and a Mol instance (using setRDMol()). Modifications such as parameters for atom coloring and labeling are supported but not required.

__init__(parent: Optional[PyQt6.QtWidgets.QWidget] = None)
paintEvent(self, QPaintEvent)
setImageDelegate(delegate: Optional[schrodinger.ui.qt.delegates.RdMolDelegate], update: bool = True)

Assign a delegate that can be used to provide 2D structure images.

Parameters

  • delegate – optionally, a delegate instance. If None, this widget will not render an image

  • update – whether to update the displayed image

setRDMol(rdmol: Optional[rdkit.Chem.rdchem.Mol], update: bool = True)

Assign a new ligand structure.

Parameters

  • rdmol – optionally, a Mol instance to render into a 2D image; if None, this widget will not render an image

  • update – whether to update the displayed image

setAtomHighlights(atom_idcs: Optional[Tuple[int]], color: Optional[Tuple[int]], update: bool = True)

Assign the highlighted atoms and highlighting color for the image.

Parameters

  • atom_idcs – indices of the atoms to be highlighted

  • color – color (in RGB form) to use for drawing highlighted atoms

  • update – whether to update the displayed image

setAtomLabels(atom_labels: Optional[Tuple[str]], update: bool = True)

Assign the atom labels for the image.

Parameters

  • atom_labels – a tuple of labels ordered so that the index of each atom matches the index of the corresponding label

  • update – whether to update the displayed image

clearModifications(update: bool = True)

Clear any stored image modification parameters.

Parameters

update – whether to update the displayed image

Box = 1
DrawChildren = 2
DrawWindowBackground = 1
HLine = 4
IgnoreMask = 4
NoFrame = 0
class PaintDeviceMetric(value)

Bases: enum.Enum

An 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
Panel = 2
PdmDepth = 6
PdmDevicePixelRatio = 11
PdmDevicePixelRatioScaled = 12
PdmDpiX = 7
PdmDpiY = 8
PdmHeight = 2
PdmHeightMM = 4
PdmNumColors = 5
PdmPhysicalDpiX = 9
PdmPhysicalDpiY = 10
PdmWidth = 1
PdmWidthMM = 3
Plain = 16
Raised = 32
class RenderFlag(value)

Bases: enum.Flag

An enumeration.

DrawWindowBackground = 1
DrawChildren = 2
IgnoreMask = 4
class Shadow(value)

Bases: enum.IntEnum

An enumeration.

Plain = 16
Raised = 32
Sunken = 48
Shadow_Mask = 240
class Shape(value)

Bases: enum.IntEnum

An enumeration.

NoFrame = 0
Box = 1
Panel = 2
WinPanel = 3
HLine = 4
VLine = 5
StyledPanel = 6
Shape_Mask = 15
class StyleMask(value)

Bases: enum.Enum

An enumeration.

Shadow_Mask = 240
Shape_Mask = 15
StyledPanel = 6
Sunken = 48
VLine = 5
WinPanel = 3
acceptDrops(self) → bool
accessibleDescription(self) → str
accessibleName(self) → str
actionEvent(self, QActionEvent)
actions(self) → List[QAction]
activateWindow(self)
addAction(self, QAction)
addActions(self, Iterable[QAction])
adjustSize(self)
alignment(self) → Qt.AlignmentFlag
autoFillBackground(self) → bool
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, bool) → bool
buddy(self) → QWidget
changeEvent(self, QEvent)
childAt(self, QPoint) → QWidget
AbstractRDMolImageLabel.childAt(self, int, int) -> QWidget
childEvent(self, QChildEvent)
children(self) → List[QObject]
childrenRect(self) → QRect
childrenRegion(self) → QRegion
clear(self)
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)
drawFrame(self, QPainter)
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
frameRect(self) → QRect
frameShadow(self) → QFrame.Shadow
frameShape(self) → QFrame.Shape
frameSize(self) → QSize
frameStyle(self) → int
frameWidth(self) → int
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
hasScaledContents(self) → bool
hasSelectedText(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, int) → int
heightMM(self) → int
hide(self)
hideEvent(self, QHideEvent)
indent(self) → int
inherits(self, str) → bool
initPainter(self, QPainter)
initStyleOption(self, QStyleOptionFrame)
inputMethodEvent(self, QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHint
inputMethodQuery(self, Qt.InputMethodQuery) → Any
AbstractRDMolImageLabel.insertAction(self, QAction, QAction)
insertActions(self, QAction, Iterable[QAction])
installEventFilter(self, QObject)
isActiveWindow(self) → bool
isAncestorOf(self, QWidget) → bool
isEnabled(self) → bool
isEnabledTo(self, QWidget) → bool
isFullScreen(self) → bool
isHidden(self) → bool
isLeftToRight(self) → bool
isMaximized(self) → bool
isMinimized(self) → bool
isModal(self) → bool
isRightToLeft(self) → bool
isSignalConnected(self, QMetaMethod) → bool
isVisible(self) → bool
isVisibleTo(self, QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
keyPressEvent(self, QKeyEvent)
keyReleaseEvent(self, QKeyEvent)
keyboardGrabber() → QWidget
killTimer(self, int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, QEvent)
lineWidth(self) → int
linkActivated

linkActivated(self, str) [signal]

linkHovered

linkHovered(self, str) [signal]

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
margin(self) → int
mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, QPaintDevice.PaintDeviceMetric) → int
midLineWidth(self) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
mouseDoubleClickEvent(self, QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, QMouseEvent)
mousePressEvent(self, QMouseEvent)
mouseReleaseEvent(self, QMouseEvent)
move(self, QPoint)
AbstractRDMolImageLabel.move(self, int, int) -> None
moveEvent(self, QMoveEvent)
moveToThread(self, QThread)
movie(self) → QMovie
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
paintingActive(self) → bool
palette(self) → QPalette
parent(self) → QObject
parentWidget(self) → QWidget
physicalDpiX(self) → int
physicalDpiY(self) → int
picture(self) → QPicture
pixmap(self) → QPixmap
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)
AbstractRDMolImageLabel.repaint(self, int, int, int, int) -> None
repaint(self, QRect) → None
repaint(self, QRegion) → None
resize(self, QSize)
AbstractRDMolImageLabel.resize(self, int, int) -> None
resizeEvent(self, QResizeEvent)
resourceProvider(self) → Callable[[QUrl], Any]
restoreGeometry(self, QByteArray) → bool
saveGeometry(self) → QByteArray
screen(self) → QScreen
AbstractRDMolImageLabel.scroll(self, int, int)
AbstractRDMolImageLabel.scroll(self, int, int, QRect) -> None
selectedText(self) → str
selectionStart(self) → int
sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, bool)
setAccessibleDescription(self, str)
setAccessibleName(self, str)
setAlignment(self, Qt.AlignmentFlag)
setAttribute(self, Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, bool)
setBackgroundRole(self, QPalette.ColorRole)
AbstractRDMolImageLabel.setBaseSize(self, int, int)
setBaseSize(self, QSize) → None
setBuddy(self, QWidget)
AbstractRDMolImageLabel.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)
AbstractRDMolImageLabel.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)
setFrameRect(self, QRect)
setFrameShadow(self, QFrame.Shadow)
setFrameShape(self, QFrame.Shape)
setFrameStyle(self, int)
setGeometry(self, QRect)
AbstractRDMolImageLabel.setGeometry(self, int, int, int, int) -> None
setGraphicsEffect(self, QGraphicsEffect)
setHidden(self, bool)
setIndent(self, int)
setInputMethodHints(self, Qt.InputMethodHint)
setLayout(self, QLayout)
setLayoutDirection(self, Qt.LayoutDirection)
setLineWidth(self, int)
setLocale(self, QLocale)
setMargin(self, int)
setMask(self, QBitmap)
setMask(self, QRegion) → None
setMaximumHeight(self, int)
AbstractRDMolImageLabel.setMaximumSize(self, int, int)
setMaximumSize(self, QSize) → None
setMaximumWidth(self, int)
setMidLineWidth(self, int)
setMinimumHeight(self, int)
AbstractRDMolImageLabel.setMinimumSize(self, int, int)
setMinimumSize(self, QSize) → None
setMinimumWidth(self, int)
setMouseTracking(self, bool)
setMovie(self, QMovie)
setNum(self, float)
setNum(self, int) → None
setObjectName(self, str)
setPalette(self, QPalette)
setParent(self, QWidget)
setParent(self, QWidget, Qt.WindowType) → None
setPicture(self, QPicture)
setPixmap(self, QPixmap)
setProperty(self, str, Any) → bool
setResourceProvider(self, Callable[[QUrl], Any])
setScaledContents(self, bool)
setScreen(self, QScreen)
AbstractRDMolImageLabel.setSelection(self, int, int)
setShortcutAutoRepeat(self, int, enabled: bool = True)
setShortcutEnabled(self, int, enabled: bool = True)
AbstractRDMolImageLabel.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)
AbstractRDMolImageLabel.setTabOrder(QWidget, QWidget)
setTabletTracking(self, bool)
setText(self, str)
setTextFormat(self, Qt.TextFormat)
setTextInteractionFlags(self, Qt.TextInteractionFlag)
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)
setWordWrap(self, bool)
sharedPainter(self) → QPainter
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
text(self) → str
textFormat(self) → Qt.TextFormat
textInteractionFlags(self) → Qt.TextInteractionFlag
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
AbstractRDMolImageLabel.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
wordWrap(self) → bool
x(self) → int
y(self) → int
class schrodinger.ui.qt.rdmol_views.ResizableRDMolImageLabel(parent: Optional[PyQt6.QtWidgets.QWidget] = None)

Bases: schrodinger.ui.qt.rdmol_views.AbstractRDMolImageLabel

Widget showing a 2D structure image that can be resized at will by the user.

resizeEvent(self, QResizeEvent)
Box = 1
DrawChildren = 2
DrawWindowBackground = 1
HLine = 4
IgnoreMask = 4
NoFrame = 0
class PaintDeviceMetric(value)

Bases: enum.Enum

An 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
Panel = 2
PdmDepth = 6
PdmDevicePixelRatio = 11
PdmDevicePixelRatioScaled = 12
PdmDpiX = 7
PdmDpiY = 8
PdmHeight = 2
PdmHeightMM = 4
PdmNumColors = 5
PdmPhysicalDpiX = 9
PdmPhysicalDpiY = 10
PdmWidth = 1
PdmWidthMM = 3
Plain = 16
Raised = 32
class RenderFlag(value)

Bases: enum.Flag

An enumeration.

DrawWindowBackground = 1
DrawChildren = 2
IgnoreMask = 4
class Shadow(value)

Bases: enum.IntEnum

An enumeration.

Plain = 16
Raised = 32
Sunken = 48
Shadow_Mask = 240
class Shape(value)

Bases: enum.IntEnum

An enumeration.

NoFrame = 0
Box = 1
Panel = 2
WinPanel = 3
HLine = 4
VLine = 5
StyledPanel = 6
Shape_Mask = 15
class StyleMask(value)

Bases: enum.Enum

An enumeration.

Shadow_Mask = 240
Shape_Mask = 15
StyledPanel = 6
Sunken = 48
VLine = 5
WinPanel = 3
__init__(parent: Optional[PyQt6.QtWidgets.QWidget] = None)
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)
alignment(self) → Qt.AlignmentFlag
autoFillBackground(self) → bool
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, bool) → bool
buddy(self) → QWidget
changeEvent(self, QEvent)
childAt(self, QPoint) → QWidget
ResizableRDMolImageLabel.childAt(self, int, int) -> QWidget
childEvent(self, QChildEvent)
children(self) → List[QObject]
childrenRect(self) → QRect
childrenRegion(self) → QRegion
clear(self)
clearFocus(self)
clearMask(self)
clearModifications(update: bool = True)

Clear any stored image modification parameters.

Parameters

update – whether to update the displayed image

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)
drawFrame(self, QPainter)
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
frameRect(self) → QRect
frameShadow(self) → QFrame.Shadow
frameShape(self) → QFrame.Shape
frameSize(self) → QSize
frameStyle(self) → int
frameWidth(self) → int
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
hasScaledContents(self) → bool
hasSelectedText(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, int) → int
heightMM(self) → int
hide(self)
hideEvent(self, QHideEvent)
indent(self) → int
inherits(self, str) → bool
initPainter(self, QPainter)
initStyleOption(self, QStyleOptionFrame)
inputMethodEvent(self, QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHint
inputMethodQuery(self, Qt.InputMethodQuery) → Any
ResizableRDMolImageLabel.insertAction(self, QAction, QAction)
insertActions(self, QAction, Iterable[QAction])
installEventFilter(self, QObject)
isActiveWindow(self) → bool
isAncestorOf(self, QWidget) → bool
isEnabled(self) → bool
isEnabledTo(self, QWidget) → bool
isFullScreen(self) → bool
isHidden(self) → bool
isLeftToRight(self) → bool
isMaximized(self) → bool
isMinimized(self) → bool
isModal(self) → bool
isRightToLeft(self) → bool
isSignalConnected(self, QMetaMethod) → bool
isVisible(self) → bool
isVisibleTo(self, QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
keyPressEvent(self, QKeyEvent)
keyReleaseEvent(self, QKeyEvent)
keyboardGrabber() → QWidget
killTimer(self, int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, QEvent)
lineWidth(self) → int
linkActivated

linkActivated(self, str) [signal]

linkHovered

linkHovered(self, str) [signal]

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
margin(self) → int
mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, QPaintDevice.PaintDeviceMetric) → int
midLineWidth(self) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
mouseDoubleClickEvent(self, QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, QMouseEvent)
mousePressEvent(self, QMouseEvent)
mouseReleaseEvent(self, QMouseEvent)
move(self, QPoint)
ResizableRDMolImageLabel.move(self, int, int) -> None
moveEvent(self, QMoveEvent)
moveToThread(self, QThread)
movie(self) → QMovie
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
picture(self) → QPicture
pixmap(self) → QPixmap
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)
ResizableRDMolImageLabel.repaint(self, int, int, int, int) -> None
repaint(self, QRect) → None
repaint(self, QRegion) → None
resize(self, QSize)
ResizableRDMolImageLabel.resize(self, int, int) -> None
resourceProvider(self) → Callable[[QUrl], Any]
restoreGeometry(self, QByteArray) → bool
saveGeometry(self) → QByteArray
screen(self) → QScreen
ResizableRDMolImageLabel.scroll(self, int, int)
ResizableRDMolImageLabel.scroll(self, int, int, QRect) -> None
selectedText(self) → str
selectionStart(self) → int
sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, bool)
setAccessibleDescription(self, str)
setAccessibleName(self, str)
setAlignment(self, Qt.AlignmentFlag)
setAtomHighlights(atom_idcs: Optional[Tuple[int]], color: Optional[Tuple[int]], update: bool = True)

Assign the highlighted atoms and highlighting color for the image.

Parameters

  • atom_idcs – indices of the atoms to be highlighted

  • color – color (in RGB form) to use for drawing highlighted atoms

  • update – whether to update the displayed image

setAtomLabels(atom_labels: Optional[Tuple[str]], update: bool = True)

Assign the atom labels for the image.

Parameters

  • atom_labels – a tuple of labels ordered so that the index of each atom matches the index of the corresponding label

  • update – whether to update the displayed image

setAttribute(self, Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, bool)
setBackgroundRole(self, QPalette.ColorRole)
ResizableRDMolImageLabel.setBaseSize(self, int, int)
setBaseSize(self, QSize) → None
setBuddy(self, QWidget)
ResizableRDMolImageLabel.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)
ResizableRDMolImageLabel.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)
setFrameRect(self, QRect)
setFrameShadow(self, QFrame.Shadow)
setFrameShape(self, QFrame.Shape)
setFrameStyle(self, int)
setGeometry(self, QRect)
ResizableRDMolImageLabel.setGeometry(self, int, int, int, int) -> None
setGraphicsEffect(self, QGraphicsEffect)
setHidden(self, bool)
setImageDelegate(delegate: Optional[schrodinger.ui.qt.delegates.RdMolDelegate], update: bool = True)

Assign a delegate that can be used to provide 2D structure images.

Parameters

  • delegate – optionally, a delegate instance. If None, this widget will not render an image

  • update – whether to update the displayed image

setIndent(self, int)
setInputMethodHints(self, Qt.InputMethodHint)
setLayout(self, QLayout)
setLayoutDirection(self, Qt.LayoutDirection)
setLineWidth(self, int)
setLocale(self, QLocale)
setMargin(self, int)
setMask(self, QBitmap)
setMask(self, QRegion) → None
setMaximumHeight(self, int)
ResizableRDMolImageLabel.setMaximumSize(self, int, int)
setMaximumSize(self, QSize) → None
setMaximumWidth(self, int)
setMidLineWidth(self, int)
setMinimumHeight(self, int)
ResizableRDMolImageLabel.setMinimumSize(self, int, int)
setMinimumSize(self, QSize) → None
setMinimumWidth(self, int)
setMouseTracking(self, bool)
setMovie(self, QMovie)
setNum(self, float)
setNum(self, int) → None
setObjectName(self, str)
setPalette(self, QPalette)
setParent(self, QWidget)
setParent(self, QWidget, Qt.WindowType) → None
setPicture(self, QPicture)
setPixmap(self, QPixmap)
setProperty(self, str, Any) → bool
setRDMol(rdmol: Optional[rdkit.Chem.rdchem.Mol], update: bool = True)

Assign a new ligand structure.

Parameters

  • rdmol – optionally, a Mol instance to render into a 2D image; if None, this widget will not render an image

  • update – whether to update the displayed image

setResourceProvider(self, Callable[[QUrl], Any])
setScaledContents(self, bool)
setScreen(self, QScreen)
ResizableRDMolImageLabel.setSelection(self, int, int)
setShortcutAutoRepeat(self, int, enabled: bool = True)
setShortcutEnabled(self, int, enabled: bool = True)
ResizableRDMolImageLabel.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)
ResizableRDMolImageLabel.setTabOrder(QWidget, QWidget)
setTabletTracking(self, bool)
setText(self, str)
setTextFormat(self, Qt.TextFormat)
setTextInteractionFlags(self, Qt.TextInteractionFlag)
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)
setWordWrap(self, bool)
sharedPainter(self) → QPainter
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
text(self) → str
textFormat(self) → Qt.TextFormat
textInteractionFlags(self) → Qt.TextInteractionFlag
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
ResizableRDMolImageLabel.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
wordWrap(self) → bool
x(self) → int
y(self) → int
class schrodinger.ui.qt.rdmol_views.FixedSizeRDMolImageLabel(parent: Optional[PyQt6.QtWidgets.QWidget] = None)

Bases: schrodinger.ui.qt.rdmol_views.AbstractRDMolImageLabel

Widget showing a 2D structure image that can be assigned a fixed size.

setImageSize(width: int, height: int, update: bool = True)
Box = 1
DrawChildren = 2
DrawWindowBackground = 1
HLine = 4
IgnoreMask = 4
NoFrame = 0
class PaintDeviceMetric(value)

Bases: enum.Enum

An 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
Panel = 2
PdmDepth = 6
PdmDevicePixelRatio = 11
PdmDevicePixelRatioScaled = 12
PdmDpiX = 7
PdmDpiY = 8
PdmHeight = 2
PdmHeightMM = 4
PdmNumColors = 5
PdmPhysicalDpiX = 9
PdmPhysicalDpiY = 10
PdmWidth = 1
PdmWidthMM = 3
Plain = 16
Raised = 32
class RenderFlag(value)

Bases: enum.Flag

An enumeration.

DrawWindowBackground = 1
DrawChildren = 2
IgnoreMask = 4
class Shadow(value)

Bases: enum.IntEnum

An enumeration.

Plain = 16
Raised = 32
Sunken = 48
Shadow_Mask = 240
class Shape(value)

Bases: enum.IntEnum

An enumeration.

NoFrame = 0
Box = 1
Panel = 2
WinPanel = 3
HLine = 4
VLine = 5
StyledPanel = 6
Shape_Mask = 15
class StyleMask(value)

Bases: enum.Enum

An enumeration.

Shadow_Mask = 240
Shape_Mask = 15
StyledPanel = 6
Sunken = 48
VLine = 5
WinPanel = 3
__init__(parent: Optional[PyQt6.QtWidgets.QWidget] = None)
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)
alignment(self) → Qt.AlignmentFlag
autoFillBackground(self) → bool
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, bool) → bool
buddy(self) → QWidget
changeEvent(self, QEvent)
childAt(self, QPoint) → QWidget
FixedSizeRDMolImageLabel.childAt(self, int, int) -> QWidget
childEvent(self, QChildEvent)
children(self) → List[QObject]
childrenRect(self) → QRect
childrenRegion(self) → QRegion
clear(self)
clearFocus(self)
clearMask(self)
clearModifications(update: bool = True)

Clear any stored image modification parameters.

Parameters

update – whether to update the displayed image

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)
drawFrame(self, QPainter)
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
frameRect(self) → QRect
frameShadow(self) → QFrame.Shadow
frameShape(self) → QFrame.Shape
frameSize(self) → QSize
frameStyle(self) → int
frameWidth(self) → int
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
hasScaledContents(self) → bool
hasSelectedText(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, int) → int
heightMM(self) → int
hide(self)
hideEvent(self, QHideEvent)
indent(self) → int
inherits(self, str) → bool
initPainter(self, QPainter)
initStyleOption(self, QStyleOptionFrame)
inputMethodEvent(self, QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHint
inputMethodQuery(self, Qt.InputMethodQuery) → Any
FixedSizeRDMolImageLabel.insertAction(self, QAction, QAction)
insertActions(self, QAction, Iterable[QAction])
installEventFilter(self, QObject)
isActiveWindow(self) → bool
isAncestorOf(self, QWidget) → bool
isEnabled(self) → bool
isEnabledTo(self, QWidget) → bool
isFullScreen(self) → bool
isHidden(self) → bool
isLeftToRight(self) → bool
isMaximized(self) → bool
isMinimized(self) → bool
isModal(self) → bool
isRightToLeft(self) → bool
isSignalConnected(self, QMetaMethod) → bool
isVisible(self) → bool
isVisibleTo(self, QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
keyPressEvent(self, QKeyEvent)
keyReleaseEvent(self, QKeyEvent)
keyboardGrabber() → QWidget
killTimer(self, int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, QEvent)
lineWidth(self) → int
linkActivated

linkActivated(self, str) [signal]

linkHovered

linkHovered(self, str) [signal]

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
margin(self) → int
mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, QPaintDevice.PaintDeviceMetric) → int
midLineWidth(self) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
mouseDoubleClickEvent(self, QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, QMouseEvent)
mousePressEvent(self, QMouseEvent)
mouseReleaseEvent(self, QMouseEvent)
move(self, QPoint)
FixedSizeRDMolImageLabel.move(self, int, int) -> None
moveEvent(self, QMoveEvent)
moveToThread(self, QThread)
movie(self) → QMovie
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
picture(self) → QPicture
pixmap(self) → QPixmap
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)
FixedSizeRDMolImageLabel.repaint(self, int, int, int, int) -> None
repaint(self, QRect) → None
repaint(self, QRegion) → None
resize(self, QSize)
FixedSizeRDMolImageLabel.resize(self, int, int) -> None
resizeEvent(self, QResizeEvent)
resourceProvider(self) → Callable[[QUrl], Any]
restoreGeometry(self, QByteArray) → bool
saveGeometry(self) → QByteArray
screen(self) → QScreen
FixedSizeRDMolImageLabel.scroll(self, int, int)
FixedSizeRDMolImageLabel.scroll(self, int, int, QRect) -> None
selectedText(self) → str
selectionStart(self) → int
sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, bool)
setAccessibleDescription(self, str)
setAccessibleName(self, str)
setAlignment(self, Qt.AlignmentFlag)
setAtomHighlights(atom_idcs: Optional[Tuple[int]], color: Optional[Tuple[int]], update: bool = True)

Assign the highlighted atoms and highlighting color for the image.

Parameters

  • atom_idcs – indices of the atoms to be highlighted

  • color – color (in RGB form) to use for drawing highlighted atoms

  • update – whether to update the displayed image

setAtomLabels(atom_labels: Optional[Tuple[str]], update: bool = True)

Assign the atom labels for the image.

Parameters

  • atom_labels – a tuple of labels ordered so that the index of each atom matches the index of the corresponding label

  • update – whether to update the displayed image

setAttribute(self, Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, bool)
setBackgroundRole(self, QPalette.ColorRole)
FixedSizeRDMolImageLabel.setBaseSize(self, int, int)
setBaseSize(self, QSize) → None
setBuddy(self, QWidget)
FixedSizeRDMolImageLabel.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)
FixedSizeRDMolImageLabel.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)
setFrameRect(self, QRect)
setFrameShadow(self, QFrame.Shadow)
setFrameShape(self, QFrame.Shape)
setFrameStyle(self, int)
setGeometry(self, QRect)
FixedSizeRDMolImageLabel.setGeometry(self, int, int, int, int) -> None
setGraphicsEffect(self, QGraphicsEffect)
setHidden(self, bool)
setImageDelegate(delegate: Optional[schrodinger.ui.qt.delegates.RdMolDelegate], update: bool = True)

Assign a delegate that can be used to provide 2D structure images.

Parameters

  • delegate – optionally, a delegate instance. If None, this widget will not render an image

  • update – whether to update the displayed image

setIndent(self, int)
setInputMethodHints(self, Qt.InputMethodHint)
setLayout(self, QLayout)
setLayoutDirection(self, Qt.LayoutDirection)
setLineWidth(self, int)
setLocale(self, QLocale)
setMargin(self, int)
setMask(self, QBitmap)
setMask(self, QRegion) → None
setMaximumHeight(self, int)
FixedSizeRDMolImageLabel.setMaximumSize(self, int, int)
setMaximumSize(self, QSize) → None
setMaximumWidth(self, int)
setMidLineWidth(self, int)
setMinimumHeight(self, int)
FixedSizeRDMolImageLabel.setMinimumSize(self, int, int)
setMinimumSize(self, QSize) → None
setMinimumWidth(self, int)
setMouseTracking(self, bool)
setMovie(self, QMovie)
setNum(self, float)
setNum(self, int) → None
setObjectName(self, str)
setPalette(self, QPalette)
setParent(self, QWidget)
setParent(self, QWidget, Qt.WindowType) → None
setPicture(self, QPicture)
setPixmap(self, QPixmap)
setProperty(self, str, Any) → bool
setRDMol(rdmol: Optional[rdkit.Chem.rdchem.Mol], update: bool = True)

Assign a new ligand structure.

Parameters

  • rdmol – optionally, a Mol instance to render into a 2D image; if None, this widget will not render an image

  • update – whether to update the displayed image

setResourceProvider(self, Callable[[QUrl], Any])
setScaledContents(self, bool)
setScreen(self, QScreen)
FixedSizeRDMolImageLabel.setSelection(self, int, int)
setShortcutAutoRepeat(self, int, enabled: bool = True)
setShortcutEnabled(self, int, enabled: bool = True)
FixedSizeRDMolImageLabel.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)
FixedSizeRDMolImageLabel.setTabOrder(QWidget, QWidget)
setTabletTracking(self, bool)
setText(self, str)
setTextFormat(self, Qt.TextFormat)
setTextInteractionFlags(self, Qt.TextInteractionFlag)
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)
setWordWrap(self, bool)
sharedPainter(self) → QPainter
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
text(self) → str
textFormat(self) → Qt.TextFormat
textInteractionFlags(self) → Qt.TextInteractionFlag
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
FixedSizeRDMolImageLabel.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
wordWrap(self) → bool
x(self) → int
y(self) → int
class schrodinger.ui.qt.rdmol_views.RDMolTooltipWithLabel(parent: Optional[PyQt6.QtWidgets.QWidget] = None)

Bases: schrodinger.ui.qt.tooltips.TooltipMixin, PyQt6.QtWidgets.QFrame

A tooltip widget that renders a 2D image of a specified ligand structure.

It can also show any number of additional text labels at the bottom.

__init__(parent: Optional[PyQt6.QtWidgets.QWidget] = None)
Parameters

offset (tuple[int, int] or NoneType) – offset coordinates (in pixels) from the mouse pointer position to draw the upper left corner of the tooltip window. If not supplied, will default to DEFAULT_OFFSET.

setImageSize(width: int, height: int, update: bool = True)

Assign the size of the image.

setRDMol(rdmol: Optional[rdkit.Chem.rdchem.Mol], update: bool = True)

Assign a new ligand structure.

Parameters

  • rdmol – optionally, a Mol instance to render into a 2D image; if None, this widget will not render an image

  • update – whether to update the displayed image

setImageDelegate(delegate: schrodinger.ui.qt.delegates.RdMolDelegate, update: bool = True)

Assign a delegate that can be used to provide 2D structure images.

Parameters

  • delegate – optionally, a delegate instance. If None, this widget will not render an image

  • update – whether to update the displayed image

addLabel(text: str)

Add a label containing the specified text underneath the structure picture.

Parameters

text – text to include below the image

Box = 1
DrawChildren = 2
DrawWindowBackground = 1
HLine = 4
IgnoreMask = 4
NoFrame = 0
class PaintDeviceMetric(value)

Bases: enum.Enum

An 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
Panel = 2
PdmDepth = 6
PdmDevicePixelRatio = 11
PdmDevicePixelRatioScaled = 12
PdmDpiX = 7
PdmDpiY = 8
PdmHeight = 2
PdmHeightMM = 4
PdmNumColors = 5
PdmPhysicalDpiX = 9
PdmPhysicalDpiY = 10
PdmWidth = 1
PdmWidthMM = 3
Plain = 16
Raised = 32
class RenderFlag(value)

Bases: enum.Flag

An enumeration.

DrawWindowBackground = 1
DrawChildren = 2
IgnoreMask = 4
class Shadow(value)

Bases: enum.IntEnum

An enumeration.

Plain = 16
Raised = 32
Sunken = 48
Shadow_Mask = 240
class Shape(value)

Bases: enum.IntEnum

An enumeration.

NoFrame = 0
Box = 1
Panel = 2
WinPanel = 3
HLine = 4
VLine = 5
StyledPanel = 6
Shape_Mask = 15
class StyleMask(value)

Bases: enum.Enum

An enumeration.

Shadow_Mask = 240
Shape_Mask = 15
StyledPanel = 6
Sunken = 48
VLine = 5
WinPanel = 3
acceptDrops(self) → bool
accessibleDescription(self) → str
accessibleName(self) → str
actionEvent(self, QActionEvent)
actions(self) → List[QAction]
activateWindow(self)
addAction(self, QAction)
addActions(self, Iterable[QAction])
adjustSize(self)
autoFillBackground(self) → bool
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, bool) → bool
changeEvent(self, QEvent)
childAt(self, QPoint) → QWidget
RDMolTooltipWithLabel.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)
drawFrame(self, QPainter)
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
frameRect(self) → QRect
frameShadow(self) → QFrame.Shadow
frameShape(self) → QFrame.Shape
frameSize(self) → QSize
frameStyle(self) → int
frameWidth(self) → int
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)
initStyleOption(self, QStyleOptionFrame)
inputMethodEvent(self, QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHint
inputMethodQuery(self, Qt.InputMethodQuery) → Any
RDMolTooltipWithLabel.insertAction(self, QAction, QAction)
insertActions(self, QAction, Iterable[QAction])
installEventFilter(self, QObject)
isActiveWindow(self) → bool
isAncestorOf(self, QWidget) → bool
isEnabled(self) → bool
isEnabledTo(self, QWidget) → bool
isFullScreen(self) → bool
isHidden(self) → bool
isLeftToRight(self) → bool
isMaximized(self) → bool
isMinimized(self) → bool
isModal(self) → bool
isRightToLeft(self) → bool
isSignalConnected(self, QMetaMethod) → bool
isVisible(self) → bool
isVisibleTo(self, QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
keyPressEvent(self, QKeyEvent)
keyReleaseEvent(self, QKeyEvent)
keyboardGrabber() → QWidget
killTimer(self, int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, QEvent)
lineWidth(self) → int
locale(self) → QLocale
logicalDpiX(self) → int
logicalDpiY(self) → int
lower(self)
mapFrom(self, QWidget, QPoint) → QPoint
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
midLineWidth(self) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
mouseDoubleClickEvent(self, QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, QMouseEvent)
mousePressEvent(self, QMouseEvent)
mouseReleaseEvent(self, QMouseEvent)
move(self, QPoint)
RDMolTooltipWithLabel.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)
RDMolTooltipWithLabel.repaint(self, int, int, int, int) -> None
repaint(self, QRect) → None
repaint(self, QRegion) → None
resize(self, QSize)
RDMolTooltipWithLabel.resize(self, int, int) -> None
resizeEvent(self, QResizeEvent)
restoreGeometry(self, QByteArray) → bool
saveGeometry(self) → QByteArray
screen(self) → QScreen
RDMolTooltipWithLabel.scroll(self, int, int)
RDMolTooltipWithLabel.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)
RDMolTooltipWithLabel.setBaseSize(self, int, int)
setBaseSize(self, QSize) → None
RDMolTooltipWithLabel.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)
RDMolTooltipWithLabel.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)
setFrameRect(self, QRect)
setFrameShadow(self, QFrame.Shadow)
setFrameShape(self, QFrame.Shape)
setFrameStyle(self, int)
setGeometry(self, QRect)
RDMolTooltipWithLabel.setGeometry(self, int, int, int, int) -> None
setGraphicsEffect(self, QGraphicsEffect)
setHidden(self, bool)
setInputMethodHints(self, Qt.InputMethodHint)
setLayout(self, QLayout)
setLayoutDirection(self, Qt.LayoutDirection)
setLineWidth(self, int)
setLocale(self, QLocale)
setMask(self, QBitmap)
setMask(self, QRegion) → None
setMaximumHeight(self, int)
RDMolTooltipWithLabel.setMaximumSize(self, int, int)
setMaximumSize(self, QSize) → None
setMaximumWidth(self, int)
setMidLineWidth(self, int)
setMinimumHeight(self, int)
RDMolTooltipWithLabel.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)
RDMolTooltipWithLabel.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)
RDMolTooltipWithLabel.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)
sharedPainter(self) → QPainter
show()

Show this widget at the cursor location plus an offset.

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
RDMolTooltipWithLabel.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