schrodinger.ui.qt.rdmol_views module

class schrodinger.ui.qt.rdmol_views.RDMolStructureItem(parent: Optional[PyQt5.QtWidgets.QGraphicsItem] = None)[source]

Bases: PyQt5.QtWidgets.QGraphicsItem

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

__init__(parent: Optional[PyQt5.QtWidgets.QGraphicsItem] = None)[source]
getRDMol() → Optional[rdkit.Chem.rdchem.Mol][source]
Returns

the ligand structure currently stored on this object

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

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]]][source]
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]])[source]

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)[source]

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() → PyQt5.QtCore.QRectF[source]
Returns

the area into which the structure image is rendered

setBoundingRect(rect: PyQt5.QtCore.QRectF)[source]
Parameters

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

paint(self, QPainter, QStyleOptionGraphicsItem, widget: QWidget = None)[source]
class CacheMode

Bases: int

DeviceCoordinateCache = 2
class GraphicsItemChange

Bases: int

class GraphicsItemFlag

Bases: int

class GraphicsItemFlags
class GraphicsItemFlags(Union[QGraphicsItem.GraphicsItemFlags, QGraphicsItem.GraphicsItemFlag]) → None
class GraphicsItemFlags(QGraphicsItem.GraphicsItemFlags) → None

Bases: sip.simplewrapper

__init__(*args, **kwargs)
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
ItemMatrixChange = 1
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

Bases: int

SceneModal = 2
Type = 1
UserType = 65536
acceptDrops(self) → bool
acceptHoverEvents(self) → bool
acceptTouchEvents(self) → bool
acceptedMouseButtons(self) → Qt.MouseButtons
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, Union[QPointF, QPoint]) → 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.GraphicsItemFlags
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.InputMethodHints
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, Union[QPointF, QPoint]) → 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, Union[QPointF, QPoint]) → 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, Union[QPointF, QPoint]) → 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, Union[QPointF, QPoint]) → 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, Union[QPointF, QPoint]) → 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, Union[QPointF, QPoint]) → 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, Union[Qt.MouseButtons, 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, Union[QGraphicsItem.GraphicsItemFlags, QGraphicsItem.GraphicsItemFlag])
setFocus(self, focusReason: Qt.FocusReason = Qt.OtherFocusReason)
setFocusProxy(self, QGraphicsItem)
setGraphicsEffect(self, QGraphicsEffect)
setGroup(self, QGraphicsItemGroup)
setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])
setOpacity(self, float)
setPanelModality(self, QGraphicsItem.PanelModality)
setParentItem(self, QGraphicsItem)
setPos(self, Union[QPointF, QPoint])
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, Union[QPointF, QPoint])
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[PyQt5.QtWidgets.QWidget] = None)[source]

Bases: PyQt5.QtWidgets.QLabel

Abstract widget that draws 2D molecule images 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[PyQt5.QtWidgets.QWidget] = None)[source]
paintEvent(self, QPaintEvent)[source]
setImageDelegate(delegate: Optional[schrodinger.ui.qt.delegates.RdMolDelegate], update: bool = True)[source]

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)[source]

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

getImageSize() → Tuple[int, int][source]
Returns

a tuple containing the assigned (width, height) of the image

setImageSize(width: int, height: int)[source]

Assign the size of the image.

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

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)[source]

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)[source]

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

Bases: int

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

Bases: int

class RenderFlags
class RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) → None
class RenderFlags(QWidget.RenderFlags) → None

Bases: sip.simplewrapper

__init__(*args, **kwargs)
class Shadow

Bases: int

Shadow_Mask = 240
class Shape

Bases: int

Shape_Mask = 15
class StyleMask

Bases: int

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.Alignment
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: PyQt5.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, QPoint) [signal]

customEvent(self, QEvent)
deleteLater(self)
depth(self) → int
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)
destroyed

destroyed(self, object: QObject = None) [signal]

devType(self) → int
devicePixelRatio(self) → int
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(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) → PyQt5.sip.voidptr
ensurePolished(self)
enterEvent(self, QEvent)
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
find(PyQt5.sip.voidptr) → QWidget
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject
findChild(self, Tuple, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject
findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
focusInEvent(self, QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, bool) → bool
focusOutEvent(self, QFocusEvent)
focusPolicy(self) → Qt.FocusPolicy
focusPreviousChild(self) → bool
focusProxy(self) → QWidget
focusWidget(self) → QWidget
font(self) → QFont
fontInfo(self) → QFontInfo
fontMetrics(self) → QFontMetrics
foregroundRole(self) → QPalette.ColorRole
frameGeometry(self) → QRect
frameRect(self) → QRect
frameShadow(self) → QFrame.Shadow
frameShape(self) → QFrame.Shape
frameSize(self) → QSize
frameStyle(self) → int
frameWidth(self) → int
geometry(self) → QRect
getContentsMargins(self) → Tuple[int, int, int, int]
grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(- 1, - 1))) → QPixmap
grabGesture(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)
grabMouse(self, Union[QCursor, Qt.CursorShape]) → 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.InputMethodHints
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
mapFromGlobal(self, QPoint) → QPoint
mapFromParent(self, QPoint) → QPoint
mapTo(self, QWidget, QPoint) → QPoint
mapToGlobal(self, QPoint) → QPoint
mapToParent(self, QPoint) → QPoint
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, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

overrideWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])
overrideWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
paintEngine(self) → QPaintEngine
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: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.RenderFlag.DrawWindowBackground | QWidget.RenderFlag.DrawChildren))
render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.RenderFlag.DrawWindowBackground | QWidget.RenderFlag.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)
restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool
saveGeometry(self) → QByteArray
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, Union[Qt.Alignment, 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, Union[Qt.InputMethodHints, 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, Union[Qt.WindowFlags, Qt.WindowType]) → None
setPicture(self, QPicture)
setPixmap(self, QPixmap)
setProperty(self, str, Any) → bool
setScaledContents(self, bool)
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, Union[Qt.TextInteractionFlags, 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, Union[Qt.WindowFlags, Qt.WindowType])
setWindowIcon(self, QIcon)
setWindowIconText(self, str)
setWindowModality(self, Qt.WindowModality)
setWindowModified(self, bool)
setWindowOpacity(self, float)
setWindowRole(self, str)
setWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
setWindowTitle(self, str)
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 = <PyQt5.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.TextInteractionFlags
thread(self) → QThread
timerEvent(self, QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(self, str, disambiguation: str = None, n: int = - 1) → str
underMouse(self) → bool
ungrabGesture(self, Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)
update(self, QRect) → None
update(self, QRegion) → None
AbstractRDMolImageLabel.update(self, int, int, int, int) -> None
updateGeometry(self)
updateMicroFocus(self)
updatesEnabled(self) → bool
visibleRegion(self) → QRegion
whatsThis(self) → str
wheelEvent(self, QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → PyQt5.sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowFlags
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, str) [signal]

windowModality(self) → Qt.WindowModality
windowOpacity(self) → float
windowRole(self) → str
windowState(self) → Qt.WindowStates
windowTitle(self) → str
windowTitleChanged

windowTitleChanged(self, str) [signal]

windowType(self) → Qt.WindowType
wordWrap(self) → bool
x(self) → int
y(self) → int
class schrodinger.ui.qt.rdmol_views.ResizableRDMolImageLabel(parent: Optional[PyQt5.QtWidgets.QWidget] = None)[source]

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)[source]
setImageSize(width: int, height: int)[source]

Assign the size of the image.

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

Bases: int

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

Bases: int

class RenderFlags
class RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) → None
class RenderFlags(QWidget.RenderFlags) → None

Bases: sip.simplewrapper

__init__(*args, **kwargs)
class Shadow

Bases: int

Shadow_Mask = 240
class Shape

Bases: int

Shape_Mask = 15
class StyleMask

Bases: int

StyledPanel = 6
Sunken = 48
VLine = 5
WinPanel = 3
__init__(parent: Optional[PyQt5.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.Alignment
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: PyQt5.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, QPoint) [signal]

customEvent(self, QEvent)
deleteLater(self)
depth(self) → int
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)
destroyed

destroyed(self, object: QObject = None) [signal]

devType(self) → int
devicePixelRatio(self) → int
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(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) → PyQt5.sip.voidptr
ensurePolished(self)
enterEvent(self, QEvent)
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
find(PyQt5.sip.voidptr) → QWidget
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject
findChild(self, Tuple, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject
findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
focusInEvent(self, QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, bool) → bool
focusOutEvent(self, QFocusEvent)
focusPolicy(self) → Qt.FocusPolicy
focusPreviousChild(self) → bool
focusProxy(self) → QWidget
focusWidget(self) → QWidget
font(self) → QFont
fontInfo(self) → QFontInfo
fontMetrics(self) → QFontMetrics
foregroundRole(self) → QPalette.ColorRole
frameGeometry(self) → QRect
frameRect(self) → QRect
frameShadow(self) → QFrame.Shadow
frameShape(self) → QFrame.Shape
frameSize(self) → QSize
frameStyle(self) → int
frameWidth(self) → int
geometry(self) → QRect
getContentsMargins(self) → Tuple[int, int, int, int]
getImageSize() → Tuple[int, int]
Returns

a tuple containing the assigned (width, height) of the image

grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(- 1, - 1))) → QPixmap
grabGesture(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)
grabMouse(self, Union[QCursor, Qt.CursorShape]) → 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.InputMethodHints
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
mapFromGlobal(self, QPoint) → QPoint
mapFromParent(self, QPoint) → QPoint
mapTo(self, QWidget, QPoint) → QPoint
mapToGlobal(self, QPoint) → QPoint
mapToParent(self, QPoint) → QPoint
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, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

overrideWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])
overrideWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
paintEngine(self) → QPaintEngine
paintEvent(self, QPaintEvent)
paintingActive(self) → bool
palette(self) → QPalette
parent(self) → QObject
parentWidget(self) → QWidget
physicalDpiX(self) → int
physicalDpiY(self) → int
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: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.RenderFlag.DrawWindowBackground | QWidget.RenderFlag.DrawChildren))
render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.RenderFlag.DrawWindowBackground | QWidget.RenderFlag.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
restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool
saveGeometry(self) → QByteArray
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, Union[Qt.Alignment, 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, Union[Qt.InputMethodHints, 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, Union[Qt.WindowFlags, 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

setScaledContents(self, bool)
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, Union[Qt.TextInteractionFlags, 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, Union[Qt.WindowFlags, Qt.WindowType])
setWindowIcon(self, QIcon)
setWindowIconText(self, str)
setWindowModality(self, Qt.WindowModality)
setWindowModified(self, bool)
setWindowOpacity(self, float)
setWindowRole(self, str)
setWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
setWindowTitle(self, str)
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 = <PyQt5.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.TextInteractionFlags
thread(self) → QThread
timerEvent(self, QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(self, str, disambiguation: str = None, n: int = - 1) → str
underMouse(self) → bool
ungrabGesture(self, Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)
update(self, QRect) → None
update(self, QRegion) → None
ResizableRDMolImageLabel.update(self, int, int, int, int) -> None
updateGeometry(self)
updateMicroFocus(self)
updatesEnabled(self) → bool
visibleRegion(self) → QRegion
whatsThis(self) → str
wheelEvent(self, QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → PyQt5.sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowFlags
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, str) [signal]

windowModality(self) → Qt.WindowModality
windowOpacity(self) → float
windowRole(self) → str
windowState(self) → Qt.WindowStates
windowTitle(self) → str
windowTitleChanged

windowTitleChanged(self, str) [signal]

windowType(self) → Qt.WindowType
wordWrap(self) → bool
x(self) → int
y(self) → int
class schrodinger.ui.qt.rdmol_views.FixedSizeRDMolImageLabel(parent: Optional[PyQt5.QtWidgets.QWidget] = None)[source]

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)[source]

Assign the size of the image.

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

Bases: int

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

Bases: int

class RenderFlags
class RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) → None
class RenderFlags(QWidget.RenderFlags) → None

Bases: sip.simplewrapper

__init__(*args, **kwargs)
class Shadow

Bases: int

Shadow_Mask = 240
class Shape

Bases: int

Shape_Mask = 15
class StyleMask

Bases: int

StyledPanel = 6
Sunken = 48
VLine = 5
WinPanel = 3
__init__(parent: Optional[PyQt5.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.Alignment
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: PyQt5.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, QPoint) [signal]

customEvent(self, QEvent)
deleteLater(self)
depth(self) → int
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)
destroyed

destroyed(self, object: QObject = None) [signal]

devType(self) → int
devicePixelRatio(self) → int
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(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) → PyQt5.sip.voidptr
ensurePolished(self)
enterEvent(self, QEvent)
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
find(PyQt5.sip.voidptr) → QWidget
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject
findChild(self, Tuple, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject
findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
focusInEvent(self, QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, bool) → bool
focusOutEvent(self, QFocusEvent)
focusPolicy(self) → Qt.FocusPolicy
focusPreviousChild(self) → bool
focusProxy(self) → QWidget
focusWidget(self) → QWidget
font(self) → QFont
fontInfo(self) → QFontInfo
fontMetrics(self) → QFontMetrics
foregroundRole(self) → QPalette.ColorRole
frameGeometry(self) → QRect
frameRect(self) → QRect
frameShadow(self) → QFrame.Shadow
frameShape(self) → QFrame.Shape
frameSize(self) → QSize
frameStyle(self) → int
frameWidth(self) → int
geometry(self) → QRect
getContentsMargins(self) → Tuple[int, int, int, int]
getImageSize() → Tuple[int, int]
Returns

a tuple containing the assigned (width, height) of the image

grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(- 1, - 1))) → QPixmap
grabGesture(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)
grabMouse(self, Union[QCursor, Qt.CursorShape]) → 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.InputMethodHints
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
mapFromGlobal(self, QPoint) → QPoint
mapFromParent(self, QPoint) → QPoint
mapTo(self, QWidget, QPoint) → QPoint
mapToGlobal(self, QPoint) → QPoint
mapToParent(self, QPoint) → QPoint
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, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

overrideWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])
overrideWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
paintEngine(self) → QPaintEngine
paintEvent(self, QPaintEvent)
paintingActive(self) → bool
palette(self) → QPalette
parent(self) → QObject
parentWidget(self) → QWidget
physicalDpiX(self) → int
physicalDpiY(self) → int
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: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.RenderFlag.DrawWindowBackground | QWidget.RenderFlag.DrawChildren))
render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.RenderFlag.DrawWindowBackground | QWidget.RenderFlag.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)
restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool
saveGeometry(self) → QByteArray
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, Union[Qt.Alignment, 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, Union[Qt.InputMethodHints, 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, Union[Qt.WindowFlags, 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

setScaledContents(self, bool)
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, Union[Qt.TextInteractionFlags, 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, Union[Qt.WindowFlags, Qt.WindowType])
setWindowIcon(self, QIcon)
setWindowIconText(self, str)
setWindowModality(self, Qt.WindowModality)
setWindowModified(self, bool)
setWindowOpacity(self, float)
setWindowRole(self, str)
setWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
setWindowTitle(self, str)
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 = <PyQt5.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.TextInteractionFlags
thread(self) → QThread
timerEvent(self, QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(self, str, disambiguation: str = None, n: int = - 1) → str
underMouse(self) → bool
ungrabGesture(self, Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)
update(self, QRect) → None
update(self, QRegion) → None
FixedSizeRDMolImageLabel.update(self, int, int, int, int) -> None
updateGeometry(self)
updateMicroFocus(self)
updatesEnabled(self) → bool
visibleRegion(self) → QRegion
whatsThis(self) → str
wheelEvent(self, QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → PyQt5.sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowFlags
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, str) [signal]

windowModality(self) → Qt.WindowModality
windowOpacity(self) → float
windowRole(self) → str
windowState(self) → Qt.WindowStates
windowTitle(self) → str
windowTitleChanged

windowTitleChanged(self, str) [signal]

windowType(self) → Qt.WindowType
wordWrap(self) → bool
x(self) → int
y(self) → int
class schrodinger.ui.qt.rdmol_views.RDMolTooltipWithLabel(parent: Optional[PyQt5.QtWidgets.QWidget] = None)[source]

Bases: schrodinger.ui.qt.tooltips.TooltipMixin, PyQt5.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[PyQt5.QtWidgets.QWidget] = None)[source]
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)[source]

Assign the size of the image.

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

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)[source]

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)[source]

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

Bases: int

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

Bases: int

class RenderFlags
class RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) → None
class RenderFlags(QWidget.RenderFlags) → None

Bases: sip.simplewrapper

__init__(*args, **kwargs)
class Shadow

Bases: int

Shadow_Mask = 240
class Shape

Bases: int

Shape_Mask = 15
class StyleMask

Bases: int

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: PyQt5.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, QPoint) [signal]

customEvent(self, QEvent)
deleteLater(self)
depth(self) → int
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)
destroyed

destroyed(self, object: QObject = None) [signal]

devType(self) → int
devicePixelRatio(self) → int
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(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) → PyQt5.sip.voidptr
ensurePolished(self)
enterEvent(self, QEvent)
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
find(PyQt5.sip.voidptr) → QWidget
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject
findChild(self, Tuple, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject
findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
focusInEvent(self, QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, bool) → bool
focusOutEvent(self, QFocusEvent)
focusPolicy(self) → Qt.FocusPolicy
focusPreviousChild(self) → bool
focusProxy(self) → QWidget
focusWidget(self) → QWidget
font(self) → QFont
fontInfo(self) → QFontInfo
fontMetrics(self) → QFontMetrics
foregroundRole(self) → QPalette.ColorRole
frameGeometry(self) → QRect
frameRect(self) → QRect
frameShadow(self) → QFrame.Shadow
frameShape(self) → QFrame.Shape
frameSize(self) → QSize
frameStyle(self) → int
frameWidth(self) → int
geometry(self) → QRect
getContentsMargins(self) → Tuple[int, int, int, int]
grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(- 1, - 1))) → QPixmap
grabGesture(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)
grabMouse(self, Union[QCursor, Qt.CursorShape]) → 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.InputMethodHints
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
mapFromGlobal(self, QPoint) → QPoint
mapFromParent(self, QPoint) → QPoint
mapTo(self, QWidget, QPoint) → QPoint
mapToGlobal(self, QPoint) → QPoint
mapToParent(self, QPoint) → QPoint
mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, QPaintDevice.PaintDeviceMetric) → int
midLineWidth(self) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
mouseDoubleClickEvent(self, QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, QMouseEvent)
mousePressEvent(self, QMouseEvent)
mouseReleaseEvent(self, QMouseEvent)
move(self, QPoint)
RDMolTooltipWithLabel.move(self, int, int) -> None
moveEvent(self, QMoveEvent)
moveToThread(self, QThread)
nativeEvent(self, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

overrideWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])
overrideWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
paintEngine(self) → QPaintEngine
paintEvent(self, QPaintEvent)
paintingActive(self) → bool
palette(self) → QPalette
parent(self) → QObject
parentWidget(self) → QWidget
physicalDpiX(self) → int
physicalDpiY(self) → int
pos(self) → QPoint
previousInFocusChain(self) → QWidget
property(self, str) → Any
pyqtConfigure(...)

Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.

raise_(self)
receivers(self, PYQT_SIGNAL) → int
rect(self) → QRect
releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, int)
removeAction(self, QAction)
removeEventFilter(self, QObject)
render(self, QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.RenderFlag.DrawWindowBackground | QWidget.RenderFlag.DrawChildren))
render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.RenderFlag.DrawWindowBackground | QWidget.RenderFlag.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, Union[QByteArray, bytes, bytearray]) → bool
saveGeometry(self) → QByteArray
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, Union[Qt.InputMethodHints, 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, Union[Qt.WindowFlags, Qt.WindowType]) → None
setProperty(self, str, Any) → bool
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, Union[Qt.WindowFlags, Qt.WindowType])
setWindowIcon(self, QIcon)
setWindowIconText(self, str)
setWindowModality(self, Qt.WindowModality)
setWindowModified(self, bool)
setWindowOpacity(self, float)
setWindowRole(self, str)
setWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
setWindowTitle(self, str)
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 = <PyQt5.QtCore.QMetaObject object>
statusTip(self) → str
style(self) → QStyle
styleSheet(self) → str
tabletEvent(self, QTabletEvent)
testAttribute(self, Qt.WidgetAttribute) → bool
thread(self) → QThread
timerEvent(self, QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(self, str, disambiguation: str = None, n: int = - 1) → str
underMouse(self) → bool
ungrabGesture(self, Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)
update(self, QRect) → None
update(self, QRegion) → None
RDMolTooltipWithLabel.update(self, int, int, int, int) -> None
updateGeometry(self)
updateMicroFocus(self)
updatesEnabled(self) → bool
visibleRegion(self) → QRegion
whatsThis(self) → str
wheelEvent(self, QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → PyQt5.sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowFlags
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, str) [signal]

windowModality(self) → Qt.WindowModality
windowOpacity(self) → float
windowRole(self) → str
windowState(self) → Qt.WindowStates
windowTitle(self) → str
windowTitleChanged

windowTitleChanged(self, str) [signal]

windowType(self) → Qt.WindowType
x(self) → int
y(self) → int