schrodinger.ui.qt.ligand_list module

Present a list of all ligands that have been included in the Workspace or selected in the project, and allow the user to select their desired ligand or ligands.

LigandListWidget is the standard widget for including this list in a panel.

class schrodinger.ui.qt.ligand_list.LigSource(value)

Bases: enum.Enum

An enumeration.

included = 1

selected = 2

class schrodinger.ui.qt.ligand_list.Ligand(found_lig, proj_row)

Bases: object

An object representing one ligand in the list. Contains a reference to the analyze.Ligand object.

__init__(found_lig, proj_row)

Parameters

• found_lig (schrodinger.structutils.analyze.Ligand) – The ligand object found using schrodinger. structutils.analyze.AslLigandSearcher

• proj_row (schrodinger.project.ProjectRow) – The Project Table row

property struc

getName(only_one_entry)

Get the name to use for this ligand in the ligand list. If the ligand is the entire entry, the structure title will be used. Otherwise, the entry title followed by the residue name and number will be used (or a multiple residue names and numbers for ligands that span multiple residues).

Parameters

only_one_entry (bool) – Whether only one entry is included in the workspace (all ligands in the list came from it). In this case, the entry title will be excluded from the row name. Note that this setting will be ignored when the ligand is the entire entry.

Returns

The properly formatted name

Return type

str

class schrodinger.ui.qt.ligand_list.LigandListView(parent=None)

Bases: schrodinger.ui.qt.appframework2.markers.MarkerMixin, PyQt6.QtWidgets.QListView

A list view for ligands. Note that multiple ligand selection can be enabled via ligand_list_view.setSelectionMode(QtWidgets.QListView.ExtendedSelection).

Variables

ligandSelectionChanged (QtCore.pyqtSignal) – A signal emitted when the selected ligands have changed.

ligandSelectionChanged

__init__(parent=None)

setAutoInclude(auto_include)

Specify whether ligands should be included in the Workspace when they are selected in the list. Only relevant when selecting ligands that are selected the Project Table.

Parameters

auto_include (bool) – True if ligands should be included. False otherwise.

setAutoFit(auto_fit)

Specify whether ligands should be zoomed in on in the Workspace when they are selected in the list. Requires auto-include.

Parameters

auto_fit (bool) – True if ligands should be zoomed in on. False otherwise.

setMarkSelectedLigands(use_markers)

Specify whether ligands that are selected in the ligand list should be marked in the workspace. See setMarkerColor to control the marker color.

Parameters

use_markers (bool) – True if workspace markers should be used. False otherwise.

setMarkerColor(color)

Specify the color of the workspace markers used to mark selected ligands. Only has an effect if setMarkSelectedLigands has been set to True.

Parameters

color (tuple) – A tuple of RGB float values for the marker color.

selectedLigands()

Return a list of Ligand objects for the selected rows.

selectLigandsFromAtoms(atoms)

Select all ligands containing the specified atom(s).

Parameters

atoms (list or schrodinger.structure._StructureAtom) – A list of atoms (schrodinger.structure._StructureAtom) or a single schrodinger.structure._StructureAtom. This atom must be from a Workspace or Project Table structure.

Raises

ValueError – If atoms doesn’t specify any ligands. ValueError will also be raised if atoms specified more than one ligand and the view is in SingleSelection selection mode.

selectLigandsFromWorkspaceAtomNums(atom_nums)

Select all ligands containing the specified atom(s).

Parameters

atoms (list or int) – A list of Workspace atom numbers (ints) or a single Workspace atom number.

Raises

ValueError – If atom_nums doesn’t specify any ligands. ValueError will also be raised if atom_nums specified more than one ligand and the view is in SingleSelection selection mode.

selectionChanged(self, selected: QItemSelection, deselected: QItemSelection)

selectIfNoSelection()

When called this function will select the first ligand in the list if no other ligand in the list is currently selected.

setModel(self, model: QAbstractItemModel)

AboveItem = 1

Adjust = 1

AdjustIgnored = 0

AdjustToContents = 2

AdjustToContentsOnFirstShow = 1

AllEditTriggers = 31

AnimatingState = 6

AnyKeyPressed = 16

Batched = 1

BelowItem = 2

Box = 1

CollapsingState = 5

ContiguousSelection = 4

CurrentChanged = 1

class CursorAction(value)

Bases: enum.Enum

An enumeration.

MoveUp = 0

MoveDown = 1

MoveLeft = 2

MoveRight = 3

MoveHome = 4

MoveEnd = 5

MovePageUp = 6

MovePageDown = 7

MoveNext = 8

MovePrevious = 9

DoubleClicked = 2

DragDrop = 3

class DragDropMode(value)

Bases: enum.Enum

An enumeration.

NoDragDrop = 0

DragOnly = 1

DropOnly = 2

DragDrop = 3

InternalMove = 4

DragOnly = 1

DragSelectingState = 2

DraggingState = 1

DrawChildren = 2

DrawWindowBackground = 1

class DropIndicatorPosition(value)

Bases: enum.Enum

An enumeration.

OnItem = 0

AboveItem = 1

BelowItem = 2

OnViewport = 3

DropOnly = 2

EditKeyPressed = 8

class EditTrigger(value)

Bases: enum.Flag

An enumeration.

NoEditTriggers = 0

CurrentChanged = 1

DoubleClicked = 2

SelectedClicked = 4

EditKeyPressed = 8

AnyKeyPressed = 16

AllEditTriggers = 31

EditingState = 3

EnsureVisible = 0

ExpandingState = 4

ExtendedSelection = 3

Fixed = 0

class Flow(value)

Bases: enum.Enum

An enumeration.

LeftToRight = 0

TopToBottom = 1

Free = 1

HLine = 4

IconMode = 1

IgnoreMask = 4

InternalMove = 4

class LayoutMode(value)

Bases: enum.Enum

An enumeration.

SinglePass = 0

Batched = 1

LeftToRight = 0

ListMode = 0

MoveDown = 1

MoveEnd = 5

MoveHome = 4

MoveLeft = 2

MoveNext = 8

MovePageDown = 7

MovePageUp = 6

MovePrevious = 9

MoveRight = 3

MoveUp = 0

class Movement(value)

Bases: enum.Enum

An enumeration.

Static = 0

Free = 1

Snap = 2

MultiSelection = 2

NoDragDrop = 0

NoEditTriggers = 0

NoFrame = 0

NoSelection = 0

NoState = 0

OnItem = 0

OnViewport = 3

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

PositionAtBottom = 2

PositionAtCenter = 3

PositionAtTop = 1

Raised = 32

class RenderFlag(value)

Bases: enum.Flag

An enumeration.

DrawWindowBackground = 1

DrawChildren = 2

IgnoreMask = 4

class ResizeMode(value)

Bases: enum.Enum

An enumeration.

Fixed = 0

Adjust = 1

class ScrollHint(value)

Bases: enum.Enum

An enumeration.

EnsureVisible = 0

PositionAtTop = 1

PositionAtBottom = 2

PositionAtCenter = 3

class ScrollMode(value)

Bases: enum.Enum

An enumeration.

ScrollPerItem = 0

ScrollPerPixel = 1

ScrollPerItem = 0

ScrollPerPixel = 1

SelectColumns = 2

SelectItems = 0

SelectRows = 1

SelectedClicked = 4

class SelectionBehavior(value)

Bases: enum.Enum

An enumeration.

SelectItems = 0

SelectRows = 1

SelectColumns = 2

class SelectionMode(value)

Bases: enum.Enum

An enumeration.

NoSelection = 0

SingleSelection = 1

MultiSelection = 2

ExtendedSelection = 3

ContiguousSelection = 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

SinglePass = 0

SingleSelection = 1

class SizeAdjustPolicy(value)

Bases: enum.Enum

An enumeration.

AdjustIgnored = 0

AdjustToContentsOnFirstShow = 1

AdjustToContents = 2

Snap = 2

class State(value)

Bases: enum.Enum

An enumeration.

NoState = 0

DraggingState = 1

DragSelectingState = 2

EditingState = 3

ExpandingState = 4

CollapsingState = 5

AnimatingState = 6

Static = 0

class StyleMask(value)

Bases: enum.Enum

An enumeration.

Shadow_Mask = 240

Shape_Mask = 15

StyledPanel = 6

Sunken = 48

TopToBottom = 1

VLine = 5

class ViewMode(value)

Bases: enum.Enum

An enumeration.

ListMode = 0

IconMode = 1

WinPanel = 3

acceptDrops(self) → bool

accessibleDescription(self) → str

accessibleName(self) → str

actionEvent(self, a0: QActionEvent)

actions(self) → List[QAction]

activateWindow(self)

activated

activated(self, index: QModelIndex) [signal]

addAction(self, action: QAction)

addActions(self, actions: Iterable[QAction])

addJaguarMarker(atoms, color=None, icon=None, text='', alt_color=None, highlight=False)

Add a marker to the specified atom(s)

Parameters

• atoms (list or schrodinger.structure._StructureAtom) – The atom or list of atoms to mark. A list may contain between one and four atoms (inclusive).

• color (tuple, str, int, or schrodinger.structutils.color) – The color of the marker and icon. May be an RGB tuple, color name, color index, or schrodinger.structutils.color instance. If not given, white will be used.

• icon (int) – The icon to draw next to the marker. Should be one the self.MARKER_ICONS constants. If not given, no icon will be drawn.

• text (str) – The text to display next to the marker. If not given, no text will be displayed. Note that this argument will be ignored when marking a single atom.

• alt_color (tuple, str, int, or schrodinger.structutils.color) – The alternate marker color. This color is always used for text, and is used for the marker and icon when highlight is True. If not given, color will be used.

• highlight (bool) – Whether the marker should be highlighted. A highlighted marker is indicated with thicker lines and is colored using alt_color instead of color.

Returns

The newly created marker

Return type

schrodinger.maestro.markers._BaseMarker

Raises

ValueError – If a marker already exists for the specified atoms

Note

Either an icon or text may be displayed on a marker, but not both. If both are given, only the text will be shown.

addMarker(atoms, color=(1.0, 1.0, 1.0), group_name=None)

Generates a set of simple, dot-styled markers for a group of atoms.

Parameters

• atoms (list or schrodinger.structure._StructureAtom) – List of atoms to be marked

• color (tuple of 3 floats) – The amount of red, green and blue to use, each ranging from 0.0 to 1.0. Default is white (1., 1., 1.).

@group_name: Optional string to set as the name of this group of markers in Maestro. If not set, a unique identifier will be generated.

addMarkerFromAsl(asl, color=(1.0, 1.0, 1.0), group_name=None)

Generates a set of simple, dot-styled markers for group of Workspace atoms that match the given ASL. Same atoms continue to be marked even if the Workspace is later modified such that ASL matching changes.

Parameters

• asl – ASL for the atoms to mark.

• color (tuple of 3 floats) – The amount of red, green and blue to use, each ranging from 0.0 to 1.0. Default is white (1., 1., 1.).

@group_name: Optional string to set as the name of this group of markers in Maestro. If not set, a unique identifier will be generated.

Returns

Marker object

Return type

markers.Marker

addScrollBarWidget(self, widget: QWidget, alignment: Qt.AlignmentFlag)

adjustSize(self)

alternatingRowColors(self) → bool

autoFillBackground(self) → bool

autoScrollMargin(self) → int

backgroundRole(self) → QPalette.ColorRole

baseSize(self) → QSize

batchSize(self) → int

blockSignals(self, b: bool) → bool

changeEvent(self, a0: QEvent)

childAt(self, p: QPoint) → QWidget

childAt(self, ax: int, ay: int) → QWidget

childEvent(self, a0: QChildEvent)

children(self) → List[QObject]

childrenRect(self) → QRect

childrenRegion(self) → QRegion

clearFocus(self)

clearMask(self)

clearPropertyFlags(self)

clearSelection(self)

clicked

clicked(self, index: QModelIndex) [signal]

close(self) → bool

closeEditor(self, editor: QWidget, hint: QAbstractItemDelegate.EndEditHint)

closeEvent(event)

Hide all markers when the panel is closed.

closePersistentEditor(self, index: QModelIndex)

colorCount(self) → int

commitData(self, editor: QWidget)

connectNotify(self, signal: QMetaMethod)

contentsMargins(self) → QMargins

contentsRect(self) → QRect

contextMenuEvent(self, a0: QContextMenuEvent)

contextMenuPolicy(self) → Qt.ContextMenuPolicy

cornerWidget(self) → QWidget

create(self, window: PyQt6.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)

createWindowContainer(window: QWindow, parent: typing.Optional[QWidget] = None, flags: Qt.WindowType = Qt.WindowFlags()) → QWidget

currentChanged(self, current: QModelIndex, previous: QModelIndex)

currentIndex(self) → QModelIndex

cursor(self) → QCursor

customContextMenuRequested

customContextMenuRequested(self, pos: QPoint) [signal]

customEvent(self, a0: QEvent)

dataChanged(self, topLeft: QModelIndex, bottomRight: QModelIndex, roles: Iterable[int] = [])

defaultDropAction(self) → Qt.DropAction

deleteLater(self)

depth(self) → int

destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)

destroyed

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

devType(self) → int

devicePixelRatio(self) → float

devicePixelRatioF(self) → float

devicePixelRatioFScale() → float

dirtyRegionOffset(self) → QPoint

disconnect(a0: QMetaObject.Connection) → bool

disconnect(self) → None

disconnectNotify(self, signal: QMetaMethod)

doubleClicked

doubleClicked(self, index: QModelIndex) [signal]

dragDropMode(self) → QAbstractItemView.DragDropMode

dragDropOverwriteMode(self) → bool

dragEnabled(self) → bool

dragEnterEvent(self, e: QDragEnterEvent)

dragLeaveEvent(self, e: QDragLeaveEvent)

dragMoveEvent(self, e: QDragMoveEvent)

drawFrame(self, a0: QPainter)

dropEvent(self, e: QDropEvent)

dropIndicatorPosition(self) → QAbstractItemView.DropIndicatorPosition

dumpObjectInfo(self)

dumpObjectTree(self)

dynamicPropertyNames(self) → List[QByteArray]

edit(self, index: QModelIndex)

edit(self, index: QModelIndex, trigger: QAbstractItemView.EditTrigger, event: QEvent) → bool

editTriggers(self) → QAbstractItemView.EditTrigger

editorDestroyed(self, editor: QObject)

effectiveWinId(self) → PyQt6.sip.voidptr

ensurePolished(self)

enterEvent(self, event: QEnterEvent)

entered

entered(self, index: QModelIndex) [signal]

event(self, e: QEvent) → bool

eventFilter(self, object: QObject, event: QEvent) → bool

executeDelayedItemsLayout(self)

find(a0: PyQt6.sip.voidptr) → QWidget

findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject

findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject

findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]

flow(self) → QListView.Flow

focusInEvent(self, e: QFocusEvent)

focusNextChild(self) → bool

focusNextPrevChild(self, next: bool) → bool

focusOutEvent(self, e: 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

getAllJaguarMarkers()

Get all markers._BaseMarker currently loaded into the panel

Returns

An iterator of markers._BaseMarker

Return type

iterator

getAllMarkers()

Get all markers.Marker loaded into the panel

Returns

list(markers.Marker)

Return type

list

getJaguarMarker(atoms)

Retrieve a marker for the specified atom(s)

Parameters

atoms (list or schrodinger.structure._StructureAtom) – The atom or list of atoms to retrieve the marker for. A list may contain between one and four atoms (inclusive).

Returns

The requested marker

Return type

schrodinger.maestro.markers._BaseMarker

Raises

ValueError – If no marker exists for the specified atoms

Note

As indicated by the return type, this function only returns schrodinger.maestro.markers._BaseMarker derived markers. Multi atom schrodinger.maestro.markers.Marker type markers are not accessible in this way.

grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(- 1, - 1))) → QPixmap

grabGesture(self, type: Qt.GestureType, flags: Qt.GestureFlag = Qt.GestureFlags())

grabKeyboard(self)

grabMouse(self)

grabMouse(self, a0: Union[QCursor, Qt.CursorShape]) → None

grabShortcut(self, key: Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int

graphicsEffect(self) → QGraphicsEffect

graphicsProxyWidget(self) → QGraphicsProxyWidget

gridSize(self) → QSize

hasAutoScroll(self) → bool

hasFocus(self) → bool

hasHeightForWidth(self) → bool

hasMouseTracking(self) → bool

hasTabletTracking(self) → bool

height(self) → int

heightForWidth(self, a0: int) → int

heightMM(self) → int

hide(self)

hideAllJaguarMarkers()

Hide all schrodinger.maestro.markers._BaseMarker markers for this panel

hideAllMarkers()

Hide all schrodinger.maestro.markers.Marker markers for this panel.

hideEvent(self, a0: QHideEvent)

horizontalOffset(self) → int

horizontalScrollBar(self) → QScrollBar

horizontalScrollBarPolicy(self) → Qt.ScrollBarPolicy

horizontalScrollMode(self) → QAbstractItemView.ScrollMode

horizontalScrollbarAction(self, action: int)

horizontalScrollbarValueChanged(self, value: int)

iconSize(self) → QSize

iconSizeChanged

iconSizeChanged(self, size: QSize) [signal]

indexAt(self, p: QPoint) → QModelIndex

indexWidget(self, index: QModelIndex) → QWidget

indexesMoved

indexesMoved(self, indexes: Iterable[QModelIndex]) [signal]

inherits(self, classname: str) → bool

initPainter(self, painter: QPainter)

initStyleOption(self, option: QStyleOptionFrame)

initViewItemOption(self, option: QStyleOptionViewItem)

inputMethodEvent(self, event: QInputMethodEvent)

inputMethodHints(self) → Qt.InputMethodHint

inputMethodQuery(self, query: Qt.InputMethodQuery) → Any

insertAction(self, before: QAction, action: QAction)

insertActions(self, before: QAction, actions: Iterable[QAction])

installEventFilter(self, a0: QObject)

isActiveWindow(self) → bool

isAncestorOf(self, child: QWidget) → bool

isEnabled(self) → bool

isEnabledTo(self, a0: QWidget) → bool

isFullScreen(self) → bool

isHidden(self) → bool

isIndexHidden(self, index: QModelIndex) → bool

isLeftToRight(self) → bool

isMaximized(self) → bool

isMinimized(self) → bool

isModal(self) → bool

isPersistentEditorOpen(self, index: QModelIndex) → bool

isRightToLeft(self) → bool

isRowHidden(self, row: int) → bool

isSelectionRectVisible(self) → bool

isSignalConnected(self, signal: QMetaMethod) → bool

isVisible(self) → bool

isVisibleTo(self, a0: QWidget) → bool

isWidgetType(self) → bool

isWindow(self) → bool

isWindowModified(self) → bool

isWindowType(self) → bool

isWrapping(self) → bool

itemAlignment(self) → Qt.AlignmentFlag

itemDelegate(self) → QAbstractItemDelegate

itemDelegateForColumn(self, column: int) → QAbstractItemDelegate

itemDelegateForIndex(self, index: QModelIndex) → QAbstractItemDelegate

itemDelegateForRow(self, row: int) → QAbstractItemDelegate

keyPressEvent(self, e: QKeyEvent)

keyReleaseEvent(self, a0: QKeyEvent)

keyboardGrabber() → QWidget

keyboardSearch(self, search: str)

killTimer(self, id: int)

layout(self) → QLayout

layoutDirection(self) → Qt.LayoutDirection

layoutMode(self) → QListView.LayoutMode

leaveEvent(self, a0: QEvent)

lineWidth(self) → int

locale(self) → QLocale

logicalDpiX(self) → int

logicalDpiY(self) → int

lower(self)

mapFrom(self, a0: QWidget, a1: QPoint) → QPoint

mapFrom(self, a0: QWidget, a1: QPointF) → QPointF

mapFromGlobal(self, a0: QPoint) → QPoint

mapFromGlobal(self, a0: QPointF) → QPointF

mapFromParent(self, a0: QPoint) → QPoint

mapFromParent(self, a0: QPointF) → QPointF

mapTo(self, a0: QWidget, a1: QPoint) → QPoint

mapTo(self, a0: QWidget, a1: QPointF) → QPointF

mapToGlobal(self, a0: QPoint) → QPoint

mapToGlobal(self, a0: QPointF) → QPointF

mapToParent(self, a0: QPoint) → QPoint

mapToParent(self, a0: QPointF) → QPointF

mask(self) → QRegion

maximumHeight(self) → int

maximumSize(self) → QSize

maximumViewportSize(self) → QSize

maximumWidth(self) → int

metaObject(self) → QMetaObject

metric(self, a0: QPaintDevice.PaintDeviceMetric) → int

midLineWidth(self) → int

minimumHeight(self) → int

minimumSize(self) → QSize

minimumSizeHint(self) → QSize

minimumWidth(self) → int

model(self) → QAbstractItemModel

modelColumn(self) → int

mouseDoubleClickEvent(self, e: QMouseEvent)

mouseGrabber() → QWidget

mouseMoveEvent(self, e: QMouseEvent)

mousePressEvent(self, e: QMouseEvent)

mouseReleaseEvent(self, e: QMouseEvent)

move(self, a0: QPoint)

move(self, ax: int, ay: int) → None

moveCursor(self, cursorAction: QAbstractItemView.CursorAction, modifiers: Qt.KeyboardModifier) → QModelIndex

moveEvent(self, a0: QMoveEvent)

moveToThread(self, thread: QThread)

movement(self) → QListView.Movement

nativeEvent(self, eventType: QByteArray, message: PyQt6.sip.voidptr) → Tuple[bool, PyQt6.sip.voidptr]

nativeParentWidget(self) → QWidget

nextInFocusChain(self) → QWidget

normalGeometry(self) → QRect

objectName(self) → str

objectNameChanged

objectNameChanged(self, objectName: str) [signal]

openPersistentEditor(self, index: QModelIndex)

overrideWindowFlags(self, type: Qt.WindowType)

overrideWindowState(self, state: Qt.WindowState)

paintEngine(self) → QPaintEngine

paintEvent(self, e: QPaintEvent)

paintingActive(self) → bool

palette(self) → QPalette

parent(self) → QObject

parentWidget(self) → QWidget

physicalDpiX(self) → int

physicalDpiY(self) → int

pos(self) → QPoint

pressed

pressed(self, index: QModelIndex) [signal]

previousInFocusChain(self) → QWidget

property(self, name: 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, signal: PYQT_SIGNAL) → int

rect(self) → QRect

rectForIndex(self, index: QModelIndex) → QRect

releaseKeyboard(self)

releaseMouse(self)

releaseShortcut(self, id: int)

removeAction(self, action: QAction)

removeAllJaguarMarkers()

Remove all markers schrodinger.maestro.markers._BaseMarker markers from this panel

removeAllJaguarMarkersForEntry(eid)

Remove all markers for the specified entry id from this panel

Parameters

eid (str) – The entry id to remove markers for

removeAllMarkers()

Remove all schrodinger.maestro.markers.Marker markers from this panel.

removeEventFilter(self, a0: QObject)

removeJaguarMarker(marker)

Removes the specified marker

Parameters

marker (schrodinger.maestro.markers._BaseMarker) – The marker to remove

Raises

ValueError – If there is no marker on the specified atoms

removeJaguarMarkerForAtoms(atoms)

Removes the marker for specified atom(s)

Parameters

atoms (list or schrodinger.structure._StructureAtom) – The atom or list of atoms to retrieve the marker for. A list may contain between one and four atoms (inclusive).

Raises

ValueError – If no marker exists for the specified atoms

removeMarker(marker)

Remove the schrodinger.maestro.markers.Marker

Parameters

marker (schrodinger.maestro.markers.Marker) – Marker to remove

Raises

ValueError – If marker is the wrong type or is not associated with the panel.

render(self, target: QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren))

render(self, painter: QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren)) → None

repaint(self)

repaint(self, x: int, y: int, w: int, h: int) → None

repaint(self, a0: QRect) → None

repaint(self, a0: QRegion) → None

reset(self)

resetHorizontalScrollMode(self)

resetVerticalScrollMode(self)

resize(self, a0: QSize)

resize(self, w: int, h: int) → None

resizeEvent(self, e: QResizeEvent)

resizeMode(self) → QListView.ResizeMode

restoreGeometry(self, geometry: QByteArray) → bool

rootIndex(self) → QModelIndex

rowsAboutToBeRemoved(self, parent: QModelIndex, start: int, end: int)

rowsInserted(self, parent: QModelIndex, start: int, end: int)

saveGeometry(self) → QByteArray

scheduleDelayedItemsLayout(self)

screen(self) → QScreen

scroll(self, dx: int, dy: int)

scroll(self, dx: int, dy: int, a2: QRect) → None

scrollBarWidgets(self, alignment: Qt.AlignmentFlag) → List[QWidget]

scrollContentsBy(self, dx: int, dy: int)

scrollDirtyRegion(self, dx: int, dy: int)

scrollTo(self, index: QModelIndex, hint: QAbstractItemView.ScrollHint = QAbstractItemView.EnsureVisible)

scrollToBottom(self)

scrollToTop(self)

selectAll(self)

selectedIndexes(self) → List[QModelIndex]

selectionBehavior(self) → QAbstractItemView.SelectionBehavior

selectionCommand(self, index: QModelIndex, event: typing.Optional[QEvent] = None) → QItemSelectionModel.SelectionFlag

selectionMode(self) → QAbstractItemView.SelectionMode

selectionModel(self) → QItemSelectionModel

sender(self) → QObject

senderSignalIndex(self) → int

setAcceptDrops(self, on: bool)

setAccessibleDescription(self, description: str)

setAccessibleName(self, name: str)

setAlternatingRowColors(self, enable: bool)

setAttribute(self, attribute: Qt.WidgetAttribute, on: bool = True)

setAutoFillBackground(self, enabled: bool)

setAutoScroll(self, enable: bool)

setAutoScrollMargin(self, margin: int)

setBackgroundRole(self, a0: QPalette.ColorRole)

setBaseSize(self, basew: int, baseh: int)

setBaseSize(self, s: QSize) → None

setBatchSize(self, batchSize: int)

setContentsMargins(self, left: int, top: int, right: int, bottom: int)

setContentsMargins(self, margins: QMargins) → None

setContextMenuPolicy(self, policy: Qt.ContextMenuPolicy)

setCornerWidget(self, widget: QWidget)

setCurrentIndex(self, index: QModelIndex)

setCursor(self, a0: Union[QCursor, Qt.CursorShape])

setDefaultDropAction(self, dropAction: Qt.DropAction)

setDirtyRegion(self, region: QRegion)

setDisabled(self, a0: bool)

setDragDropMode(self, behavior: QAbstractItemView.DragDropMode)

setDragDropOverwriteMode(self, overwrite: bool)

setDragEnabled(self, enable: bool)

setDropIndicatorShown(self, enable: bool)

setEditTriggers(self, triggers: QAbstractItemView.EditTrigger)

setEnabled(self, a0: bool)

setFixedHeight(self, h: int)

setFixedSize(self, a0: QSize)

setFixedSize(self, w: int, h: int) → None

setFixedWidth(self, w: int)

setFlow(self, flow: QListView.Flow)

setFocus(self)

setFocus(self, reason: Qt.FocusReason) → None

setFocusPolicy(self, policy: Qt.FocusPolicy)

setFocusProxy(self, a0: QWidget)

setFont(self, a0: QFont)

setForegroundRole(self, a0: QPalette.ColorRole)

setFrameRect(self, a0: QRect)

setFrameShadow(self, a0: QFrame.Shadow)

setFrameShape(self, a0: QFrame.Shape)

setFrameStyle(self, a0: int)

setGeometry(self, a0: QRect)

setGeometry(self, ax: int, ay: int, aw: int, ah: int) → None

setGraphicsEffect(self, effect: QGraphicsEffect)

setGridSize(self, size: QSize)

setHidden(self, hidden: bool)

setHorizontalScrollBar(self, scrollbar: QScrollBar)

setHorizontalScrollBarPolicy(self, a0: Qt.ScrollBarPolicy)

setHorizontalScrollMode(self, mode: QAbstractItemView.ScrollMode)

setIconSize(self, size: QSize)

setIndexWidget(self, index: QModelIndex, widget: QWidget)

setInputMethodHints(self, hints: Qt.InputMethodHint)

setItemAlignment(self, alignment: Qt.AlignmentFlag)

setItemDelegate(self, delegate: QAbstractItemDelegate)

setItemDelegateForColumn(self, column: int, delegate: QAbstractItemDelegate)

setItemDelegateForRow(self, row: int, delegate: QAbstractItemDelegate)

setLayout(self, a0: QLayout)

setLayoutDirection(self, direction: Qt.LayoutDirection)

setLayoutMode(self, mode: QListView.LayoutMode)

setLineWidth(self, a0: int)

setLocale(self, locale: QLocale)

setMask(self, a0: QBitmap)

setMask(self, a0: QRegion) → None

setMaximumHeight(self, maxh: int)

setMaximumSize(self, maxw: int, maxh: int)

setMaximumSize(self, s: QSize) → None

setMaximumWidth(self, maxw: int)

setMidLineWidth(self, a0: int)

setMinimumHeight(self, minh: int)

setMinimumSize(self, minw: int, minh: int)

setMinimumSize(self, s: QSize) → None

setMinimumWidth(self, minw: int)

setModelColumn(self, column: int)

setMouseTracking(self, enable: bool)

setMovement(self, movement: QListView.Movement)

setObjectName(self, name: str)

setPalette(self, a0: QPalette)

setParent(self, parent: QWidget)

setParent(self, parent: QWidget, f: Qt.WindowType) → None

setPositionForIndex(self, position: QPoint, index: QModelIndex)

setProperty(self, name: str, value: Any) → bool

setResizeMode(self, mode: QListView.ResizeMode)

setRootIndex(self, index: QModelIndex)

setRowHidden(self, row: int, hide: bool)

setScreen(self, a0: QScreen)

setSelection(self, rect: QRect, command: QItemSelectionModel.SelectionFlag)

setSelectionBehavior(self, behavior: QAbstractItemView.SelectionBehavior)

setSelectionMode(self, mode: QAbstractItemView.SelectionMode)

setSelectionModel(self, selectionModel: QItemSelectionModel)

setSelectionRectVisible(self, show: bool)

setShortcutAutoRepeat(self, id: int, enabled: bool = True)

setShortcutEnabled(self, id: int, enabled: bool = True)

setSizeAdjustPolicy(self, policy: QAbstractScrollArea.SizeAdjustPolicy)

setSizeIncrement(self, w: int, h: int)

setSizeIncrement(self, s: QSize) → None

setSizePolicy(self, a0: QSizePolicy)

setSizePolicy(self, hor: QSizePolicy.Policy, ver: QSizePolicy.Policy) → None

setSpacing(self, space: int)

setState(self, state: QAbstractItemView.State)

setStatusTip(self, a0: str)

setStyle(self, a0: QStyle)

setStyleSheet(self, styleSheet: str)

setTabKeyNavigation(self, enable: bool)

setTabOrder(a0: QWidget, a1: QWidget)

setTabletTracking(self, enable: bool)

setTextElideMode(self, mode: Qt.TextElideMode)

setToolTip(self, a0: str)

setToolTipDuration(self, msec: int)

setUniformItemSizes(self, enable: bool)

setUpdatesEnabled(self, enable: bool)

setVerticalScrollBar(self, scrollbar: QScrollBar)

setVerticalScrollBarPolicy(self, a0: Qt.ScrollBarPolicy)

setVerticalScrollMode(self, mode: QAbstractItemView.ScrollMode)

setViewMode(self, mode: QListView.ViewMode)

setViewport(self, widget: QWidget)

setViewportMargins(self, left: int, top: int, right: int, bottom: int)

setViewportMargins(self, margins: QMargins) → None

setVisible(self, visible: bool)

setWhatsThis(self, a0: str)

setWindowFilePath(self, filePath: str)

setWindowFlag(self, a0: Qt.WindowType, on: bool = True)

setWindowFlags(self, type: Qt.WindowType)

setWindowIcon(self, icon: QIcon)

setWindowIconText(self, a0: str)

setWindowModality(self, windowModality: Qt.WindowModality)

setWindowModified(self, a0: bool)

setWindowOpacity(self, level: float)

setWindowRole(self, a0: str)

setWindowState(self, state: Qt.WindowState)

setWindowTitle(self, a0: str)

setWordWrap(self, on: bool)

setWrapping(self, enable: bool)

setupViewport(self, viewport: QWidget)

sharedPainter(self) → QPainter

show()

Re-show all panel markers when the panel is re-shown. This separate method is needed for QDialog instances.

showAllJaguarMarkers()

Show all schrodinger.maestro.markers._BaseMarker markers for which all marked atoms are in the workspace. Hide all other markers.

showAllMarkers()

Set all schrodinger.maestro.markers.Marker markers to be shown if the relevant atoms are in the workspace. These markers are hidden automatically by Maestro when atoms are excluded.

showDropIndicator(self) → bool

showEvent(event)

Re-show all panel markers when the panel is re-shown.

showFullScreen(self)

showMaximized(self)

showMinimized(self)

showNormal(self)

signalsBlocked(self) → bool

size(self) → QSize

sizeAdjustPolicy(self) → QAbstractScrollArea.SizeAdjustPolicy

sizeHint(self) → QSize

sizeHintForColumn(self, column: int) → int

sizeHintForIndex(self, index: QModelIndex) → QSize

sizeHintForRow(self, row: int) → int

sizeIncrement(self) → QSize

sizePolicy(self) → QSizePolicy

spacing(self) → int

stackUnder(self, a0: QWidget)

startDrag(self, supportedActions: Qt.DropAction)

startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int

state(self) → QAbstractItemView.State

staticMetaObject = <PyQt6.QtCore.QMetaObject object>

statusTip(self) → str

style(self) → QStyle

styleSheet(self) → str

tabKeyNavigation(self) → bool

tabletEvent(self, a0: QTabletEvent)

testAttribute(self, attribute: Qt.WidgetAttribute) → bool

textElideMode(self) → Qt.TextElideMode

thread(self) → QThread

timerEvent(self, e: QTimerEvent)

toolTip(self) → str

toolTipDuration(self) → int

tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str

underMouse(self) → bool

ungrabGesture(self, type: Qt.GestureType)

uniformItemSizes(self) → bool

unsetCursor(self)

unsetLayoutDirection(self)

unsetLocale(self)

update(self)

update(self, index: QModelIndex) → None

updateEditorData(self)

updateEditorGeometries(self)

updateGeometries(self)

updateGeometry(self)

updateMicroFocus(self, query: Qt.InputMethodQuery = Qt.ImQueryAll)

updatesEnabled(self) → bool

verticalOffset(self) → int

verticalScrollBar(self) → QScrollBar

verticalScrollBarPolicy(self) → Qt.ScrollBarPolicy

verticalScrollMode(self) → QAbstractItemView.ScrollMode

verticalScrollbarAction(self, action: int)

verticalScrollbarValueChanged(self, value: int)

viewMode(self) → QListView.ViewMode

viewport(self) → QWidget

viewportEntered

viewportEntered(self) [signal]

viewportEvent(self, e: QEvent) → bool

viewportMargins(self) → QMargins

viewportSizeHint(self) → QSize

visibleRegion(self) → QRegion

visualRect(self, index: QModelIndex) → QRect

visualRegionForSelection(self, selection: QItemSelection) → QRegion

whatsThis(self) → str

wheelEvent(self, e: 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, icon: QIcon) [signal]

windowIconText(self) → str

windowIconTextChanged

windowIconTextChanged(self, iconText: str) [signal]

windowModality(self) → Qt.WindowModality

windowOpacity(self) → float

windowRole(self) → str

windowState(self) → Qt.WindowState

windowTitle(self) → str

windowTitleChanged

windowTitleChanged(self, title: str) [signal]

windowType(self) → Qt.WindowType

wordWrap(self) → bool

x(self) → int

y(self) → int

class schrodinger.ui.qt.ligand_list.LigandListWidget(parent=None)

Bases: schrodinger.ui.qt.appframework2.maestro_callback.MaestroCallbackWidgetMixin, schrodinger.ui.qt.ligand_list.LigandListView

A list view for ligands that contains its own model. The model will be automatically updated whenever the project changes. As with LigandListView, multiple ligand selection can be enabled via ligand_list_widget.setSelectionMode(QtWidgets.QListView.ExtendedSelection).

__init__(parent=None)

setLigandSource(source)

Specify whether ligands should be taken from selected or included Project Table entries.

Parameters

source (LigSource) – The desired ligand source.

ligandSource()

Return whether ligands are currently being taken from selected or included Project Table entries.

Returns

The current ligand source.

Return type

LigSource

projectChanged()

projectClose()

AboveItem = 1

Adjust = 1

AdjustIgnored = 0

AdjustToContents = 2

AdjustToContentsOnFirstShow = 1

AllEditTriggers = 31

AnimatingState = 6

AnyKeyPressed = 16

Batched = 1

BelowItem = 2

Box = 1

CollapsingState = 5

ContiguousSelection = 4

CurrentChanged = 1

class CursorAction(value)

Bases: enum.Enum

An enumeration.

MoveUp = 0

MoveDown = 1

MoveLeft = 2

MoveRight = 3

MoveHome = 4

MoveEnd = 5

MovePageUp = 6

MovePageDown = 7

MoveNext = 8

MovePrevious = 9

DoubleClicked = 2

DragDrop = 3

class DragDropMode(value)

Bases: enum.Enum

An enumeration.

NoDragDrop = 0

DragOnly = 1

DropOnly = 2

DragDrop = 3

InternalMove = 4

DragOnly = 1

DragSelectingState = 2

DraggingState = 1

DrawChildren = 2

DrawWindowBackground = 1

class DropIndicatorPosition(value)

Bases: enum.Enum

An enumeration.

OnItem = 0

AboveItem = 1

BelowItem = 2

OnViewport = 3

DropOnly = 2

EditKeyPressed = 8

class EditTrigger(value)

Bases: enum.Flag

An enumeration.

NoEditTriggers = 0

CurrentChanged = 1

DoubleClicked = 2

SelectedClicked = 4

EditKeyPressed = 8

AnyKeyPressed = 16

AllEditTriggers = 31

EditingState = 3

EnsureVisible = 0

ExpandingState = 4

ExtendedSelection = 3

Fixed = 0

class Flow(value)

Bases: enum.Enum

An enumeration.

LeftToRight = 0

TopToBottom = 1

Free = 1

HLine = 4

IGNORE_DELAYED_CALLBACKS = False

IconMode = 1

IgnoreMask = 4

InternalMove = 4

class LayoutMode(value)

Bases: enum.Enum

An enumeration.

SinglePass = 0

Batched = 1

LeftToRight = 0

ListMode = 0

MoveDown = 1

MoveEnd = 5

MoveHome = 4

MoveLeft = 2

MoveNext = 8

MovePageDown = 7

MovePageUp = 6

MovePrevious = 9

MoveRight = 3

MoveUp = 0

class Movement(value)

Bases: enum.Enum

An enumeration.

Static = 0

Free = 1

Snap = 2

MultiSelection = 2

NoDragDrop = 0

NoEditTriggers = 0

NoFrame = 0

NoSelection = 0

NoState = 0

OnItem = 0

OnViewport = 3

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

PositionAtBottom = 2

PositionAtCenter = 3

PositionAtTop = 1

Raised = 32

class RenderFlag(value)

Bases: enum.Flag

An enumeration.

DrawWindowBackground = 1

DrawChildren = 2

IgnoreMask = 4

class ResizeMode(value)

Bases: enum.Enum

An enumeration.

Fixed = 0

Adjust = 1

class ScrollHint(value)

Bases: enum.Enum

An enumeration.

EnsureVisible = 0

PositionAtTop = 1

PositionAtBottom = 2

PositionAtCenter = 3

class ScrollMode(value)

Bases: enum.Enum

An enumeration.

ScrollPerItem = 0

ScrollPerPixel = 1

ScrollPerItem = 0

ScrollPerPixel = 1

SelectColumns = 2

SelectItems = 0

SelectRows = 1

SelectedClicked = 4

class SelectionBehavior(value)

Bases: enum.Enum

An enumeration.

SelectItems = 0

SelectRows = 1

SelectColumns = 2

class SelectionMode(value)

Bases: enum.Enum

An enumeration.

NoSelection = 0

SingleSelection = 1

MultiSelection = 2

ExtendedSelection = 3

ContiguousSelection = 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

SinglePass = 0

SingleSelection = 1

class SizeAdjustPolicy(value)

Bases: enum.Enum

An enumeration.

AdjustIgnored = 0

AdjustToContentsOnFirstShow = 1

AdjustToContents = 2

Snap = 2

class State(value)

Bases: enum.Enum

An enumeration.

NoState = 0

DraggingState = 1

DragSelectingState = 2

EditingState = 3

ExpandingState = 4

CollapsingState = 5

AnimatingState = 6

Static = 0

class StyleMask(value)

Bases: enum.Enum

An enumeration.

Shadow_Mask = 240

Shape_Mask = 15

StyledPanel = 6

Sunken = 48

TopToBottom = 1

VLine = 5

class ViewMode(value)

Bases: enum.Enum

An enumeration.

ListMode = 0

IconMode = 1

WinPanel = 3

acceptDrops(self) → bool

accessibleDescription(self) → str

accessibleName(self) → str

actionEvent(self, a0: QActionEvent)

actions(self) → List[QAction]

activateWindow(self)

activated

activated(self, index: QModelIndex) [signal]

addAction(self, action: QAction)

addActions(self, actions: Iterable[QAction])

addJaguarMarker(atoms, color=None, icon=None, text='', alt_color=None, highlight=False)

Add a marker to the specified atom(s)

Parameters

• atoms (list or schrodinger.structure._StructureAtom) – The atom or list of atoms to mark. A list may contain between one and four atoms (inclusive).

• color (tuple, str, int, or schrodinger.structutils.color) – The color of the marker and icon. May be an RGB tuple, color name, color index, or schrodinger.structutils.color instance. If not given, white will be used.

• icon (int) – The icon to draw next to the marker. Should be one the self.MARKER_ICONS constants. If not given, no icon will be drawn.

• text (str) – The text to display next to the marker. If not given, no text will be displayed. Note that this argument will be ignored when marking a single atom.

• alt_color (tuple, str, int, or schrodinger.structutils.color) – The alternate marker color. This color is always used for text, and is used for the marker and icon when highlight is True. If not given, color will be used.

• highlight (bool) – Whether the marker should be highlighted. A highlighted marker is indicated with thicker lines and is colored using alt_color instead of color.

Returns

The newly created marker

Return type

schrodinger.maestro.markers._BaseMarker

Raises

ValueError – If a marker already exists for the specified atoms

Note

Either an icon or text may be displayed on a marker, but not both. If both are given, only the text will be shown.

addMarker(atoms, color=(1.0, 1.0, 1.0), group_name=None)

Generates a set of simple, dot-styled markers for a group of atoms.

Parameters

• atoms (list or schrodinger.structure._StructureAtom) – List of atoms to be marked

• color (tuple of 3 floats) – The amount of red, green and blue to use, each ranging from 0.0 to 1.0. Default is white (1., 1., 1.).

@group_name: Optional string to set as the name of this group of markers in Maestro. If not set, a unique identifier will be generated.

addMarkerFromAsl(asl, color=(1.0, 1.0, 1.0), group_name=None)

Generates a set of simple, dot-styled markers for group of Workspace atoms that match the given ASL. Same atoms continue to be marked even if the Workspace is later modified such that ASL matching changes.

Parameters

• asl – ASL for the atoms to mark.

• color (tuple of 3 floats) – The amount of red, green and blue to use, each ranging from 0.0 to 1.0. Default is white (1., 1., 1.).

@group_name: Optional string to set as the name of this group of markers in Maestro. If not set, a unique identifier will be generated.

Returns

Marker object

Return type

markers.Marker

addScrollBarWidget(self, widget: QWidget, alignment: Qt.AlignmentFlag)

adjustSize(self)

alternatingRowColors(self) → bool

autoFillBackground(self) → bool

autoScrollMargin(self) → int

backgroundRole(self) → QPalette.ColorRole

baseSize(self) → QSize

batchSize(self) → int

blockSignals(self, b: bool) → bool

buildCallbackDicts()

Create a dictionary of all methods that have a maestro_callback decorator.

changeEvent(self, a0: QEvent)

childAt(self, p: QPoint) → QWidget

childAt(self, ax: int, ay: int) → QWidget

childEvent(self, a0: QChildEvent)

children(self) → List[QObject]

childrenRect(self) → QRect

childrenRegion(self) → QRegion

clearFocus(self)

clearMask(self)

clearPropertyFlags(self)

clearSelection(self)

clicked

clicked(self, index: QModelIndex) [signal]

close(self) → bool

closeEditor(self, editor: QWidget, hint: QAbstractItemDelegate.EndEditHint)

closeEvent(event)

Hide all markers when the panel is closed.

closePersistentEditor(self, index: QModelIndex)

colorCount(self) → int

commitData(self, editor: QWidget)

connectNotify(self, signal: QMetaMethod)

contentsMargins(self) → QMargins

contentsRect(self) → QRect

contextMenuEvent(self, a0: QContextMenuEvent)

contextMenuPolicy(self) → Qt.ContextMenuPolicy

cornerWidget(self) → QWidget

create(self, window: PyQt6.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)

createWindowContainer(window: QWindow, parent: typing.Optional[QWidget] = None, flags: Qt.WindowType = Qt.WindowFlags()) → QWidget

currentChanged(self, current: QModelIndex, previous: QModelIndex)

currentIndex(self) → QModelIndex

cursor(self) → QCursor

customContextMenuRequested

customContextMenuRequested(self, pos: QPoint) [signal]

customEvent(self, a0: QEvent)

dataChanged(self, topLeft: QModelIndex, bottomRight: QModelIndex, roles: Iterable[int] = [])

defaultDropAction(self) → Qt.DropAction

deleteLater(self)

depth(self) → int

destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)

destroyed

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

devType(self) → int

devicePixelRatio(self) → float

devicePixelRatioF(self) → float

devicePixelRatioFScale() → float

dirtyRegionOffset(self) → QPoint

disconnect(a0: QMetaObject.Connection) → bool

disconnect(self) → None

disconnectNotify(self, signal: QMetaMethod)

doubleClicked

doubleClicked(self, index: QModelIndex) [signal]

dragDropMode(self) → QAbstractItemView.DragDropMode

dragDropOverwriteMode(self) → bool

dragEnabled(self) → bool

dragEnterEvent(self, e: QDragEnterEvent)

dragLeaveEvent(self, e: QDragLeaveEvent)

dragMoveEvent(self, e: QDragMoveEvent)

drawFrame(self, a0: QPainter)

dropEvent(self, e: QDropEvent)

dropIndicatorPosition(self) → QAbstractItemView.DropIndicatorPosition

dumpObjectInfo(self)

dumpObjectTree(self)

dynamicPropertyNames(self) → List[QByteArray]

edit(self, index: QModelIndex)

edit(self, index: QModelIndex, trigger: QAbstractItemView.EditTrigger, event: QEvent) → bool

editTriggers(self) → QAbstractItemView.EditTrigger

editorDestroyed(self, editor: QObject)

effectiveWinId(self) → PyQt6.sip.voidptr

ensurePolished(self)

enterEvent(self, event: QEnterEvent)

entered

entered(self, index: QModelIndex) [signal]

event(self, e: QEvent) → bool

eventFilter(obj, event)

Respond to the window being shown or closed.

See QObject.eventFilter documentation for argument documentation.

executeDelayedItemsLayout(self)

find(a0: PyQt6.sip.voidptr) → QWidget

findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject

findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject

findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]

flow(self) → QListView.Flow

focusInEvent(self, e: QFocusEvent)

focusNextChild(self) → bool

focusNextPrevChild(self, next: bool) → bool

focusOutEvent(self, e: 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

getAllJaguarMarkers()

Get all markers._BaseMarker currently loaded into the panel

Returns

An iterator of markers._BaseMarker

Return type

iterator

getAllMarkers()

Get all markers.Marker loaded into the panel

Returns

list(markers.Marker)

Return type

list

getJaguarMarker(atoms)

Retrieve a marker for the specified atom(s)

Parameters

atoms (list or schrodinger.structure._StructureAtom) – The atom or list of atoms to retrieve the marker for. A list may contain between one and four atoms (inclusive).

Returns

The requested marker

Return type

schrodinger.maestro.markers._BaseMarker

Raises

ValueError – If no marker exists for the specified atoms

Note

As indicated by the return type, this function only returns schrodinger.maestro.markers._BaseMarker derived markers. Multi atom schrodinger.maestro.markers.Marker type markers are not accessible in this way.

grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(- 1, - 1))) → QPixmap

grabGesture(self, type: Qt.GestureType, flags: Qt.GestureFlag = Qt.GestureFlags())

grabKeyboard(self)

grabMouse(self)

grabMouse(self, a0: Union[QCursor, Qt.CursorShape]) → None

grabShortcut(self, key: Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int

graphicsEffect(self) → QGraphicsEffect

graphicsProxyWidget(self) → QGraphicsProxyWidget

gridSize(self) → QSize

hasAutoScroll(self) → bool

hasFocus(self) → bool

hasHeightForWidth(self) → bool

hasMouseTracking(self) → bool

hasTabletTracking(self) → bool

height(self) → int

heightForWidth(self, a0: int) → int

heightMM(self) → int

hide(self)

hideAllJaguarMarkers()

Hide all schrodinger.maestro.markers._BaseMarker markers for this panel

hideAllMarkers()

Hide all schrodinger.maestro.markers.Marker markers for this panel.

hideEvent(self, a0: QHideEvent)

horizontalOffset(self) → int

horizontalScrollBar(self) → QScrollBar

horizontalScrollBarPolicy(self) → Qt.ScrollBarPolicy

horizontalScrollMode(self) → QAbstractItemView.ScrollMode

horizontalScrollbarAction(self, action: int)

horizontalScrollbarValueChanged(self, value: int)

iconSize(self) → QSize

iconSizeChanged

iconSizeChanged(self, size: QSize) [signal]

ignoreMaestroCallbacks()

A context manager for temporarily disabling Maestro callbacks created using the decorators above. (Note that callbacks that have been manually added using maestro.*_callback_add() will not be disabled.)

Example:

def includeEntry(self, entry_id):
    proj = maestro.project_table_get()
    with self.ignoreMaestroCallbacks():
        proj[entry_id].in_workspace = project.IN_WORKSPACE

@maestro_callback.project_changed
def onProjectChanged(self):
    print "This method will not be called during includeEntry."

@maestro_callback.workspace_changed
def onWorkspaceChanged(self):
    print "Neither will this one."

indexAt(self, p: QPoint) → QModelIndex

indexWidget(self, index: QModelIndex) → QWidget

indexesMoved

indexesMoved(self, indexes: Iterable[QModelIndex]) [signal]

inherits(self, classname: str) → bool

initPainter(self, painter: QPainter)

initStyleOption(self, option: QStyleOptionFrame)

initViewItemOption(self, option: QStyleOptionViewItem)

inputMethodEvent(self, event: QInputMethodEvent)

inputMethodHints(self) → Qt.InputMethodHint

inputMethodQuery(self, query: Qt.InputMethodQuery) → Any

insertAction(self, before: QAction, action: QAction)

insertActions(self, before: QAction, actions: Iterable[QAction])

installEventFilter(self, a0: QObject)

isActiveWindow(self) → bool

isAncestorOf(self, child: QWidget) → bool

isEnabled(self) → bool

isEnabledTo(self, a0: QWidget) → bool

isFullScreen(self) → bool

isHidden(self) → bool

isIndexHidden(self, index: QModelIndex) → bool

isLeftToRight(self) → bool

isMaximized(self) → bool

isMinimized(self) → bool

isModal(self) → bool

isPersistentEditorOpen(self, index: QModelIndex) → bool

isRightToLeft(self) → bool

isRowHidden(self, row: int) → bool

isSelectionRectVisible(self) → bool

isSignalConnected(self, signal: QMetaMethod) → bool

isVisible(self) → bool

isVisibleTo(self, a0: QWidget) → bool

isWidgetType(self) → bool

isWindow(self) → bool

isWindowModified(self) → bool

isWindowType(self) → bool

isWrapping(self) → bool

itemAlignment(self) → Qt.AlignmentFlag

itemDelegate(self) → QAbstractItemDelegate

itemDelegateForColumn(self, column: int) → QAbstractItemDelegate

itemDelegateForIndex(self, index: QModelIndex) → QAbstractItemDelegate

itemDelegateForRow(self, row: int) → QAbstractItemDelegate

keyPressEvent(self, e: QKeyEvent)

keyReleaseEvent(self, a0: QKeyEvent)

keyboardGrabber() → QWidget

keyboardSearch(self, search: str)

killTimer(self, id: int)

layout(self) → QLayout

layoutDirection(self) → Qt.LayoutDirection

layoutMode(self) → QListView.LayoutMode

leaveEvent(self, a0: QEvent)

ligandSelectionChanged

lineWidth(self) → int

locale(self) → QLocale

logicalDpiX(self) → int

logicalDpiY(self) → int

lower(self)

mapFrom(self, a0: QWidget, a1: QPoint) → QPoint

mapFrom(self, a0: QWidget, a1: QPointF) → QPointF

mapFromGlobal(self, a0: QPoint) → QPoint

mapFromGlobal(self, a0: QPointF) → QPointF

mapFromParent(self, a0: QPoint) → QPoint

mapFromParent(self, a0: QPointF) → QPointF

mapTo(self, a0: QWidget, a1: QPoint) → QPoint

mapTo(self, a0: QWidget, a1: QPointF) → QPointF

mapToGlobal(self, a0: QPoint) → QPoint

mapToGlobal(self, a0: QPointF) → QPointF

mapToParent(self, a0: QPoint) → QPoint

mapToParent(self, a0: QPointF) → QPointF

mask(self) → QRegion

maximumHeight(self) → int

maximumSize(self) → QSize

maximumViewportSize(self) → QSize

maximumWidth(self) → int

metaObject(self) → QMetaObject

metric(self, a0: QPaintDevice.PaintDeviceMetric) → int

midLineWidth(self) → int

minimumHeight(self) → int

minimumSize(self) → QSize

minimumSizeHint(self) → QSize

minimumWidth(self) → int

model(self) → QAbstractItemModel

modelColumn(self) → int

mouseDoubleClickEvent(self, e: QMouseEvent)

mouseGrabber() → QWidget

mouseMoveEvent(self, e: QMouseEvent)

mousePressEvent(self, e: QMouseEvent)

mouseReleaseEvent(self, e: QMouseEvent)

move(self, a0: QPoint)

move(self, ax: int, ay: int) → None

moveCursor(self, cursorAction: QAbstractItemView.CursorAction, modifiers: Qt.KeyboardModifier) → QModelIndex

moveEvent(self, a0: QMoveEvent)

moveToThread(self, thread: QThread)

movement(self) → QListView.Movement

nativeEvent(self, eventType: QByteArray, message: PyQt6.sip.voidptr) → Tuple[bool, PyQt6.sip.voidptr]

nativeParentWidget(self) → QWidget

nextInFocusChain(self) → QWidget

normalGeometry(self) → QRect

objectName(self) → str

objectNameChanged

objectNameChanged(self, objectName: str) [signal]

openPersistentEditor(self, index: QModelIndex)

overrideWindowFlags(self, type: Qt.WindowType)

overrideWindowState(self, state: Qt.WindowState)

paintEngine(self) → QPaintEngine

paintEvent(self, e: QPaintEvent)

paintingActive(self) → bool

palette(self) → QPalette

parent(self) → QObject

parentWidget(self) → QWidget

physicalDpiX(self) → int

physicalDpiY(self) → int

pos(self) → QPoint

pressed

pressed(self, index: QModelIndex) [signal]

previousInFocusChain(self) → QWidget

property(self, name: 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, signal: PYQT_SIGNAL) → int

rect(self) → QRect

rectForIndex(self, index: QModelIndex) → QRect

releaseKeyboard(self)

releaseMouse(self)

releaseShortcut(self, id: int)

removeAction(self, action: QAction)

removeAllJaguarMarkers()

Remove all markers schrodinger.maestro.markers._BaseMarker markers from this panel

removeAllJaguarMarkersForEntry(eid)

Remove all markers for the specified entry id from this panel

Parameters

eid (str) – The entry id to remove markers for

removeAllMarkers()

Remove all schrodinger.maestro.markers.Marker markers from this panel.

removeEventFilter(self, a0: QObject)

removeJaguarMarker(marker)

Removes the specified marker

Parameters

marker (schrodinger.maestro.markers._BaseMarker) – The marker to remove

Raises

ValueError – If there is no marker on the specified atoms

removeJaguarMarkerForAtoms(atoms)

Removes the marker for specified atom(s)

Parameters

atoms (list or schrodinger.structure._StructureAtom) – The atom or list of atoms to retrieve the marker for. A list may contain between one and four atoms (inclusive).

Raises

ValueError – If no marker exists for the specified atoms

removeMarker(marker)

Remove the schrodinger.maestro.markers.Marker

Parameters

marker (schrodinger.maestro.markers.Marker) – Marker to remove

Raises

ValueError – If marker is the wrong type or is not associated with the panel.

render(self, target: QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren))

render(self, painter: QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren)) → None

repaint(self)

repaint(self, x: int, y: int, w: int, h: int) → None

repaint(self, a0: QRect) → None

repaint(self, a0: QRegion) → None

reset(self)

resetHorizontalScrollMode(self)

resetVerticalScrollMode(self)

resize(self, a0: QSize)

resize(self, w: int, h: int) → None

resizeEvent(self, e: QResizeEvent)

resizeMode(self) → QListView.ResizeMode

restoreGeometry(self, geometry: QByteArray) → bool

rootIndex(self) → QModelIndex

rowsAboutToBeRemoved(self, parent: QModelIndex, start: int, end: int)

rowsInserted(self, parent: QModelIndex, start: int, end: int)

saveGeometry(self) → QByteArray

scheduleDelayedItemsLayout(self)

screen(self) → QScreen

scroll(self, dx: int, dy: int)

scroll(self, dx: int, dy: int, a2: QRect) → None

scrollBarWidgets(self, alignment: Qt.AlignmentFlag) → List[QWidget]

scrollContentsBy(self, dx: int, dy: int)

scrollDirtyRegion(self, dx: int, dy: int)

scrollTo(self, index: QModelIndex, hint: QAbstractItemView.ScrollHint = QAbstractItemView.EnsureVisible)

scrollToBottom(self)

scrollToTop(self)

selectAll(self)

selectIfNoSelection()

When called this function will select the first ligand in the list if no other ligand in the list is currently selected.

selectLigandsFromAtoms(atoms)

Select all ligands containing the specified atom(s).

Parameters

atoms (list or schrodinger.structure._StructureAtom) – A list of atoms (schrodinger.structure._StructureAtom) or a single schrodinger.structure._StructureAtom. This atom must be from a Workspace or Project Table structure.

Raises

ValueError – If atoms doesn’t specify any ligands. ValueError will also be raised if atoms specified more than one ligand and the view is in SingleSelection selection mode.

selectLigandsFromWorkspaceAtomNums(atom_nums)

Select all ligands containing the specified atom(s).

Parameters

atoms (list or int) – A list of Workspace atom numbers (ints) or a single Workspace atom number.

Raises

ValueError – If atom_nums doesn’t specify any ligands. ValueError will also be raised if atom_nums specified more than one ligand and the view is in SingleSelection selection mode.

selectedIndexes(self) → List[QModelIndex]

selectedLigands()

Return a list of Ligand objects for the selected rows.

selectionBehavior(self) → QAbstractItemView.SelectionBehavior

selectionChanged(self, selected: QItemSelection, deselected: QItemSelection)

selectionCommand(self, index: QModelIndex, event: typing.Optional[QEvent] = None) → QItemSelectionModel.SelectionFlag

selectionMode(self) → QAbstractItemView.SelectionMode

selectionModel(self) → QItemSelectionModel

sender(self) → QObject

senderSignalIndex(self) → int

setAcceptDrops(self, on: bool)

setAccessibleDescription(self, description: str)

setAccessibleName(self, name: str)

setAlternatingRowColors(self, enable: bool)

setAttribute(self, attribute: Qt.WidgetAttribute, on: bool = True)

setAutoFillBackground(self, enabled: bool)

setAutoFit(auto_fit)

Specify whether ligands should be zoomed in on in the Workspace when they are selected in the list. Requires auto-include.

Parameters

auto_fit (bool) – True if ligands should be zoomed in on. False otherwise.

setAutoInclude(auto_include)

Specify whether ligands should be included in the Workspace when they are selected in the list. Only relevant when selecting ligands that are selected the Project Table.

Parameters

auto_include (bool) – True if ligands should be included. False otherwise.

setAutoScroll(self, enable: bool)

setAutoScrollMargin(self, margin: int)

setBackgroundRole(self, a0: QPalette.ColorRole)

setBaseSize(self, basew: int, baseh: int)

setBaseSize(self, s: QSize) → None

setBatchSize(self, batchSize: int)

setContentsMargins(self, left: int, top: int, right: int, bottom: int)

setContentsMargins(self, margins: QMargins) → None

setContextMenuPolicy(self, policy: Qt.ContextMenuPolicy)

setCornerWidget(self, widget: QWidget)

setCurrentIndex(self, index: QModelIndex)

setCursor(self, a0: Union[QCursor, Qt.CursorShape])

setDefaultDropAction(self, dropAction: Qt.DropAction)

setDirtyRegion(self, region: QRegion)

setDisabled(self, a0: bool)

setDragDropMode(self, behavior: QAbstractItemView.DragDropMode)

setDragDropOverwriteMode(self, overwrite: bool)

setDragEnabled(self, enable: bool)

setDropIndicatorShown(self, enable: bool)

setEditTriggers(self, triggers: QAbstractItemView.EditTrigger)

setEnabled(self, a0: bool)

setFixedHeight(self, h: int)

setFixedSize(self, a0: QSize)

setFixedSize(self, w: int, h: int) → None

setFixedWidth(self, w: int)

setFlow(self, flow: QListView.Flow)

setFocus(self)

setFocus(self, reason: Qt.FocusReason) → None

setFocusPolicy(self, policy: Qt.FocusPolicy)

setFocusProxy(self, a0: QWidget)

setFont(self, a0: QFont)

setForegroundRole(self, a0: QPalette.ColorRole)

setFrameRect(self, a0: QRect)

setFrameShadow(self, a0: QFrame.Shadow)

setFrameShape(self, a0: QFrame.Shape)

setFrameStyle(self, a0: int)

setGeometry(self, a0: QRect)

setGeometry(self, ax: int, ay: int, aw: int, ah: int) → None

setGraphicsEffect(self, effect: QGraphicsEffect)

setGridSize(self, size: QSize)

setHidden(self, hidden: bool)

setHorizontalScrollBar(self, scrollbar: QScrollBar)

setHorizontalScrollBarPolicy(self, a0: Qt.ScrollBarPolicy)

setHorizontalScrollMode(self, mode: QAbstractItemView.ScrollMode)

setIconSize(self, size: QSize)

setIndexWidget(self, index: QModelIndex, widget: QWidget)

setInputMethodHints(self, hints: Qt.InputMethodHint)

setItemAlignment(self, alignment: Qt.AlignmentFlag)

setItemDelegate(self, delegate: QAbstractItemDelegate)

setItemDelegateForColumn(self, column: int, delegate: QAbstractItemDelegate)

setItemDelegateForRow(self, row: int, delegate: QAbstractItemDelegate)

setLayout(self, a0: QLayout)

setLayoutDirection(self, direction: Qt.LayoutDirection)

setLayoutMode(self, mode: QListView.LayoutMode)

setLineWidth(self, a0: int)

setLocale(self, locale: QLocale)

setMarkSelectedLigands(use_markers)

Specify whether ligands that are selected in the ligand list should be marked in the workspace. See setMarkerColor to control the marker color.

Parameters

use_markers (bool) – True if workspace markers should be used. False otherwise.

setMarkerColor(color)

Specify the color of the workspace markers used to mark selected ligands. Only has an effect if setMarkSelectedLigands has been set to True.

Parameters

color (tuple) – A tuple of RGB float values for the marker color.

setMask(self, a0: QBitmap)

setMask(self, a0: QRegion) → None

setMaximumHeight(self, maxh: int)

setMaximumSize(self, maxw: int, maxh: int)

setMaximumSize(self, s: QSize) → None

setMaximumWidth(self, maxw: int)

setMidLineWidth(self, a0: int)

setMinimumHeight(self, minh: int)

setMinimumSize(self, minw: int, minh: int)

setMinimumSize(self, s: QSize) → None

setMinimumWidth(self, minw: int)

setModel(self, model: QAbstractItemModel)

setModelColumn(self, column: int)

setMouseTracking(self, enable: bool)

setMovement(self, movement: QListView.Movement)

setObjectName(self, name: str)

setPalette(self, a0: QPalette)

setParent(self, parent: QWidget)

setParent(self, parent: QWidget, f: Qt.WindowType) → None

setPositionForIndex(self, position: QPoint, index: QModelIndex)

setProperty(self, name: str, value: Any) → bool

setResizeMode(self, mode: QListView.ResizeMode)

setRootIndex(self, index: QModelIndex)

setRowHidden(self, row: int, hide: bool)

setScreen(self, a0: QScreen)

setSelection(self, rect: QRect, command: QItemSelectionModel.SelectionFlag)

setSelectionBehavior(self, behavior: QAbstractItemView.SelectionBehavior)

setSelectionMode(self, mode: QAbstractItemView.SelectionMode)

setSelectionModel(self, selectionModel: QItemSelectionModel)

setSelectionRectVisible(self, show: bool)

setShortcutAutoRepeat(self, id: int, enabled: bool = True)

setShortcutEnabled(self, id: int, enabled: bool = True)

setSizeAdjustPolicy(self, policy: QAbstractScrollArea.SizeAdjustPolicy)

setSizeIncrement(self, w: int, h: int)

setSizeIncrement(self, s: QSize) → None

setSizePolicy(self, a0: QSizePolicy)

setSizePolicy(self, hor: QSizePolicy.Policy, ver: QSizePolicy.Policy) → None

setSpacing(self, space: int)

setState(self, state: QAbstractItemView.State)

setStatusTip(self, a0: str)

setStyle(self, a0: QStyle)

setStyleSheet(self, styleSheet: str)

setTabKeyNavigation(self, enable: bool)

setTabOrder(a0: QWidget, a1: QWidget)

setTabletTracking(self, enable: bool)

setTextElideMode(self, mode: Qt.TextElideMode)

setToolTip(self, a0: str)

setToolTipDuration(self, msec: int)

setUniformItemSizes(self, enable: bool)

setUpdatesEnabled(self, enable: bool)

setVerticalScrollBar(self, scrollbar: QScrollBar)

setVerticalScrollBarPolicy(self, a0: Qt.ScrollBarPolicy)

setVerticalScrollMode(self, mode: QAbstractItemView.ScrollMode)

setViewMode(self, mode: QListView.ViewMode)

setViewport(self, widget: QWidget)

setViewportMargins(self, left: int, top: int, right: int, bottom: int)

setViewportMargins(self, margins: QMargins) → None

setVisible(self, visible: bool)

setWhatsThis(self, a0: str)

setWindowFilePath(self, filePath: str)

setWindowFlag(self, a0: Qt.WindowType, on: bool = True)

setWindowFlags(self, type: Qt.WindowType)

setWindowIcon(self, icon: QIcon)

setWindowIconText(self, a0: str)

setWindowModality(self, windowModality: Qt.WindowModality)

setWindowModified(self, a0: bool)

setWindowOpacity(self, level: float)

setWindowRole(self, a0: str)

setWindowState(self, state: Qt.WindowState)

setWindowTitle(self, a0: str)

setWordWrap(self, on: bool)

setWrapping(self, enable: bool)

setupViewport(self, viewport: QWidget)

sharedPainter(self) → QPainter

show()

Re-show all panel markers when the panel is re-shown. This separate method is needed for QDialog instances.

showAllJaguarMarkers()

Show all schrodinger.maestro.markers._BaseMarker markers for which all marked atoms are in the workspace. Hide all other markers.

showAllMarkers()

Set all schrodinger.maestro.markers.Marker markers to be shown if the relevant atoms are in the workspace. These markers are hidden automatically by Maestro when atoms are excluded.

showDropIndicator(self) → bool

showEvent(event)

Re-show all panel markers when the panel is re-shown.

showFullScreen(self)

showMaximized(self)

showMinimized(self)

showNormal(self)

signalsBlocked(self) → bool

size(self) → QSize

sizeAdjustPolicy(self) → QAbstractScrollArea.SizeAdjustPolicy

sizeHint(self) → QSize

sizeHintForColumn(self, column: int) → int

sizeHintForIndex(self, index: QModelIndex) → QSize

sizeHintForRow(self, row: int) → int

sizeIncrement(self) → QSize

sizePolicy(self) → QSizePolicy

spacing(self) → int

stackUnder(self, a0: QWidget)

startDrag(self, supportedActions: Qt.DropAction)

startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int

state(self) → QAbstractItemView.State

staticMetaObject = <PyQt6.QtCore.QMetaObject object>

statusTip(self) → str

style(self) → QStyle

styleSheet(self) → str

tabKeyNavigation(self) → bool

tabletEvent(self, a0: QTabletEvent)

testAttribute(self, attribute: Qt.WidgetAttribute) → bool

textElideMode(self) → Qt.TextElideMode

thread(self) → QThread

timerEvent(self, e: QTimerEvent)

toolTip(self) → str

toolTipDuration(self) → int

tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str

underMouse(self) → bool

ungrabGesture(self, type: Qt.GestureType)

uniformItemSizes(self) → bool

unsetCursor(self)

unsetLayoutDirection(self)

unsetLocale(self)

update(self)

update(self, index: QModelIndex) → None

updateEditorData(self)

updateEditorGeometries(self)

updateGeometries(self)

updateGeometry(self)

updateMicroFocus(self, query: Qt.InputMethodQuery = Qt.ImQueryAll)

updatesEnabled(self) → bool

verticalOffset(self) → int

verticalScrollBar(self) → QScrollBar

verticalScrollBarPolicy(self) → Qt.ScrollBarPolicy

verticalScrollMode(self) → QAbstractItemView.ScrollMode

verticalScrollbarAction(self, action: int)

verticalScrollbarValueChanged(self, value: int)

viewMode(self) → QListView.ViewMode

viewport(self) → QWidget

viewportEntered

viewportEntered(self) [signal]

viewportEvent(self, e: QEvent) → bool

viewportMargins(self) → QMargins

viewportSizeHint(self) → QSize

visibleRegion(self) → QRegion

visualRect(self, index: QModelIndex) → QRect

visualRegionForSelection(self, selection: QItemSelection) → QRegion

whatsThis(self) → str

wheelEvent(self, e: 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, icon: QIcon) [signal]

windowIconText(self) → str

windowIconTextChanged

windowIconTextChanged(self, iconText: str) [signal]

windowModality(self) → Qt.WindowModality

windowOpacity(self) → float

windowRole(self) → str

windowState(self) → Qt.WindowState

windowTitle(self) → str

windowTitleChanged

windowTitleChanged(self, title: str) [signal]

windowType(self) → Qt.WindowType

wordWrap(self) → bool

x(self) → int

y(self) → int

class schrodinger.ui.qt.ligand_list.LigandListModel(parent=None, source=LigSource.included)

Bases: schrodinger.ui.qt.table_helper.RowBasedListModel

__init__(parent=None, source=LigSource.included)

Parameters

• parent (QtWidgets.QWidget or NoneType) – The Qt parent widget.

• source (LigSource) – The desired ligand source.

setLigandSource(source)

Specify whether ligands should be taken from selected or included Project Table entries.

Parameters

source (LigSource) – The desired ligand source.

ligandSource()

Return whether ligands are currently being taken from selected or included Project Table entries.

Returns

The current ligand source.

Return type

LigSource

updateLigandList()

Update the contents of the model. This method should be called whenever project inclusion or selection changes.

atomToLigNumMapping()

Return a dictionary of {(entry id, atom number): ligand row number} for all atoms in all ligands in the table.

CHECKABLE_COLS = ()

COLUMN = None

class CheckIndexOption(value)

Bases: enum.Flag

An enumeration.

NoOption = 0

IndexIsValid = 1

DoNotUseParent = 2

ParentIsInvalid = 4

Column = None

EDITABLE_COLS = <object object>

HorizontalSortHint = 2

class LayoutChangeHint(value)

Bases: enum.Enum

An enumeration.

NoLayoutChangeHint = 0

VerticalSortHint = 1

HorizontalSortHint = 2

NO_DATA_CHANGED = <object object>

NoLayoutChangeHint = 0

ROW_CLASS = None

ROW_LIST_OFFSET = 0

SHOW_ROW_NUMBERS = False

UNEDITABLE_COLS = <object object>

VerticalSortHint = 1

af2SettingsGetValue()

This function adds support for the settings mixin. It allows to save table cell values in case this table is included in the settings panel. Returns list of rows if table model is of RowBasedTableModel class type.

Returns

list of rows in tbe table’s model.

Return type

list or None

af2SettingsSetValue(value)

This function adds support for the settings mixin. It allows to set table cell values when this table is included in the settings panel.

Parameters

value (list) – settings value, which is a list of row data here.

appendRow(*args, **kwargs)

Add a row to the table. All arguments are passed to ROW_CLASS initialization.

Returns

The row number of the new row

Return type

int

appendRowObject(row)

Add a row to the table.

Parameters

row (ROW_CLASS) – Row object to add to the table.

Returns

The row number of the new row

Return type

int

appendRowObjects(rows)

Add rows to the table.

Parameters

rows (ROW_CLASS) – Row objects to add to the table.

beginInsertColumns(self, parent: QModelIndex, first: int, last: int)

beginInsertRows(self, parent: QModelIndex, first: int, last: int)

beginMoveColumns(self, sourceParent: QModelIndex, sourceFirst: int, sourceLast: int, destinationParent: QModelIndex, destinationColumn: int) → bool

beginMoveRows(self, sourceParent: QModelIndex, sourceFirst: int, sourceLast: int, destinationParent: QModelIndex, destinationRow: int) → bool

beginRemoveColumns(self, parent: QModelIndex, first: int, last: int)

beginRemoveRows(self, parent: QModelIndex, first: int, last: int)

beginResetModel(self)

blockSignals(self, b: bool) → bool

buddy(self, index: QModelIndex) → QModelIndex

canDropMimeData(self, data: QMimeData, action: Qt.DropAction, row: int, column: int, parent: QModelIndex) → bool

canFetchMore(self, parent: QModelIndex) → bool

changePersistentIndex(self, from_: QModelIndex, to: QModelIndex)

changePersistentIndexList(self, from_: Iterable[QModelIndex], to: Iterable[QModelIndex])

checkIndex(self, index: QModelIndex, options: QAbstractItemModel.CheckIndexOption = QAbstractItemModel.CheckIndexOption.NoOption) → bool

childEvent(self, a0: QChildEvent)

children(self) → List[QObject]

clearItemData(self, index: QModelIndex) → bool

columnChanged(col_number)

Call this method when a specific column object has been modified. Will cause the view to redraw that column.

Parameters

col_number (int) – 0-indexed column number in the model.

columnCount(self, parent: QModelIndex = QModelIndex()) → int

columnsAboutToBeInserted

columnsAboutToBeInserted(self, parent: QModelIndex, first: int, last: int) [signal]

columnsAboutToBeMoved

columnsAboutToBeMoved(self, sourceParent: QModelIndex, sourceStart: int, sourceEnd: int, destinationParent: QModelIndex, destinationColumn: int) [signal]

columnsAboutToBeRemoved

columnsAboutToBeRemoved(self, parent: QModelIndex, first: int, last: int) [signal]

columnsInserted

columnsInserted(self, parent: QModelIndex, first: int, last: int) [signal]

columnsMoved

columnsMoved(self, parent: QModelIndex, start: int, end: int, destination: QModelIndex, column: int) [signal]

columnsRemoved

columnsRemoved(self, parent: QModelIndex, first: int, last: int) [signal]

connectNotify(self, signal: QMetaMethod)

createIndex(self, row: int, column: int, object: object = 0) → QModelIndex

customEvent(self, a0: QEvent)

data(index, role=ItemDataRole.DisplayRole)

Provide data for the specified index and role. Classes should not redefine this method. Instead, new methods should be created and decorated with data_method.

See Qt documentation for an explanation of arguments and return value

dataChanged

dataChanged(self, topLeft: QModelIndex, bottomRight: QModelIndex, roles: Iterable[int] = []) [signal]

decodeData(self, row: int, column: int, parent: QModelIndex, stream: QDataStream) → bool

deleteLater(self)

destroyed

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

disconnect(a0: QMetaObject.Connection) → bool

disconnect(self) → None

disconnectNotify(self, signal: QMetaMethod)

dropMimeData(self, data: QMimeData, action: Qt.DropAction, row: int, column: int, parent: QModelIndex) → bool

dumpObjectInfo(self)

dumpObjectTree(self)

dynamicPropertyNames(self) → List[QByteArray]

encodeData(self, indexes: Iterable[QModelIndex], stream: QDataStream)

endInsertColumns(self)

endInsertRows(self)

endMoveColumns(self)

endMoveRows(self)

endRemoveColumns(self)

endRemoveRows(self)

endResetModel(self)

event(self, a0: QEvent) → bool

eventFilter(self, a0: QObject, a1: QEvent) → bool

fetchMore(self, parent: QModelIndex)

findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject

findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject

findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]

flags(index)

See Qt documentation for an method documentation.

formatFloat(value, role, digits, fmt='')

Format floating point values for display or sorting. If role is Qt.DisplayRole, then value will be returned as a string with the specified formatting. All other role values are assumed to be a sorting role and value will be returned unchanged.

Parameters

• value (float) – The floating point value to format

• role (int) – The Qt data role

• digits (int) – The number of digits to include after the decimal point for Qt.DisplayRole

• fmt (str) – Additional floating point formatting options

Returns

The formatted or unmodified value

Return type

str or float

hasChildren(self, parent: QModelIndex = QModelIndex()) → bool

hasIndex(self, row: int, column: int, parent: QModelIndex = QModelIndex()) → bool

headerData(section, orientation, role=ItemDataRole.DisplayRole)

Provide column headers, and optionally column tooltips and row numbers.

See Qt documentation for an explanation of arguments and return value

headerDataChanged

headerDataChanged(self, orientation: Qt.Orientation, first: int, last: int) [signal]

index(self, row: int, column: int, parent: QModelIndex = QModelIndex()) → QModelIndex

inherits(self, classname: str) → bool

insertColumn(self, column: int, parent: QModelIndex = QModelIndex()) → bool

insertColumns(self, column: int, count: int, parent: QModelIndex = QModelIndex()) → bool

insertRow(self, row: int, parent: QModelIndex = QModelIndex()) → bool

insertRows(self, row: int, count: int, parent: QModelIndex = QModelIndex()) → bool

installEventFilter(self, a0: QObject)

isSignalConnected(self, signal: QMetaMethod) → bool

isWidgetType(self) → bool

isWindowType(self) → bool

itemData(self, index: QModelIndex) → Dict[int, Any]

killTimer(self, id: int)

layoutAboutToBeChanged

layoutAboutToBeChanged(self, parents: Iterable[QPersistentModelIndex] = [], hint: QAbstractItemModel.LayoutChangeHint = QAbstractItemModel.NoLayoutChangeHint) [signal]

layoutChanged

layoutChanged(self, parents: Iterable[QPersistentModelIndex] = [], hint: QAbstractItemModel.LayoutChangeHint = QAbstractItemModel.NoLayoutChangeHint) [signal]

loadData(rows)

Load data into the table and replace all existing data.

Parameters

rows (list) – A list of ROW_CLASS objects

match(self, start: QModelIndex, role: int, value: Any, hits: int = 1, flags: Qt.MatchFlag = Qt.MatchFlags(Qt.MatchStartsWith | Qt.MatchWrap)) → List[QModelIndex]

metaObject(self) → QMetaObject

mimeData(self, indexes: Iterable[QModelIndex]) → QMimeData

mimeTypes(self) → List[str]

modelAboutToBeReset

modelAboutToBeReset(self) [signal]

modelReset

modelReset(self) [signal]

modelResetContext()

A context manager for resetting the model. See model_reset_method for a decorator version of this.

moveColumn(self, sourceParent: QModelIndex, sourceColumn: int, destinationParent: QModelIndex, destinationChild: int) → bool

moveColumns(self, sourceParent: QModelIndex, sourceColumn: int, count: int, destinationParent: QModelIndex, destinationChild: int) → bool

moveRow(self, sourceParent: QModelIndex, sourceRow: int, destinationParent: QModelIndex, destinationChild: int) → bool

moveRows(self, sourceParent: QModelIndex, sourceRow: int, count: int, destinationParent: QModelIndex, destinationChild: int) → bool

moveToThread(self, thread: QThread)

objectName(self) → str

objectNameChanged

objectNameChanged(self, objectName: str) [signal]

parent(self) → QObject

persistentIndexList(self) → List[QModelIndex]

property(self, name: 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.

receivers(self, signal: PYQT_SIGNAL) → int

removeColumn(self, column: int, parent: QModelIndex = QModelIndex()) → bool

removeColumns(self, column: int, count: int, parent: QModelIndex = QModelIndex()) → bool

removeEventFilter(self, a0: QObject)

removeRow(self, row: int, parent: QModelIndex = QModelIndex()) → bool

removeRows(self, row: int, count: int, parent: QModelIndex = QModelIndex()) → bool

removeRowsByIndices(indices)

Remove all rows from the model specified by the given QModelIndex items.

removeRowsByRowNumbers(rows)

Remove the given rows from the model, specified by row number, 0-indexed.

replaceRows(new_rows)

Replace the contents of the model with the contents of the given list. The change will be presented to the view as a series of row insertions and deletions rather than as a model reset. This allows the view to properly update table selections and scroll bar position. This method may only be used if:

• the ROW_CLASS objects can be compared using < and ==

• the contents of the model (i.e. self._rows) are sorted in ascending order

• the contents of new_rows are sorted in ascending order

This method is primarily intended for use when the table contains rows based on project table rows. On every project change, the project table can be reread and used to generate new_list and this method can then properly update the model.

Parameters

new_rows (list) – A list of ROW_CLASS objects

reset()

Remove all data from the model

resetInternalData(self)

revert(self)

roleNames(self) → Dict[int, QByteArray]

rowChanged(row_number)

Call this method when a specific row object has been modified. Will cause the view to redraw that row.

Parameters

row_number (int) – 0-indexed row number in the model. Corresponds to the index in the “.rows” iterator.

rowCount(self, parent: QModelIndex = QModelIndex()) → int

property rows

Iterate over all rows in the model. If any data is changed, call rowChanged() method with the row’s 0-indexed number to update the view.

rowsAboutToBeInserted

rowsAboutToBeInserted(self, parent: QModelIndex, first: int, last: int) [signal]

rowsAboutToBeMoved

rowsAboutToBeMoved(self, sourceParent: QModelIndex, sourceStart: int, sourceEnd: int, destinationParent: QModelIndex, destinationRow: int) [signal]

rowsAboutToBeRemoved

rowsAboutToBeRemoved(self, parent: QModelIndex, first: int, last: int) [signal]

rowsInserted

rowsInserted(self, parent: QModelIndex, first: int, last: int) [signal]

rowsMoved

rowsMoved(self, parent: QModelIndex, start: int, end: int, destination: QModelIndex, row: int) [signal]

rowsRemoved

rowsRemoved(self, parent: QModelIndex, first: int, last: int) [signal]

sender(self) → QObject

senderSignalIndex(self) → int

setData(index, value, role=ItemDataRole.EditRole)

Set data for the specified index and role. Whenever possible, sub- classes should redefine _setData rather than this method.

See Qt documentation for an explanation of arguments and return value.

setHeaderData(self, section: int, orientation: Qt.Orientation, value: Any, role: int = Qt.EditRole) → bool

setItemData(self, index: QModelIndex, roles: Dict[int, Any]) → bool

setObjectName(self, name: str)

setParent(self, a0: QObject)

setProperty(self, name: str, value: Any) → bool

sibling(self, row: int, column: int, idx: QModelIndex) → QModelIndex

signalsBlocked(self) → bool

sort(self, column: int, order: Qt.SortOrder = Qt.AscendingOrder)

span(self, index: QModelIndex) → QSize

startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int

staticMetaObject = <PyQt6.QtCore.QMetaObject object>

submit(self) → bool

supportedDragActions(self) → Qt.DropAction

supportedDropActions(self) → Qt.DropAction

thread(self) → QThread

timerEvent(self, a0: QTimerEvent)

tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str