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