schrodinger.application.matsci.reordergui module

This module contains classes to enable use of the reorder module in a GUI.

Copyright Schrodinger, LLC. All rights reserved.

class schrodinger.application.matsci.reordergui.StructureListWidget(master, atomic_constraints=None)

Bases: schrodinger.ui.qt.swidgets.SListWidget

A QListWidget that interacts with a structure picture to select atoms. Clicking on a row will send a signal that an atom has been clicked on. Atoms (rows) can be marked as Mapped or Unmapped, which will result in changing the background color of the row.

There is 1 row in in the ListWidget for each atom in the structure, in the same order as atoms are in the structure. Note that row indexes start at 0 but atom indexes start at 1, so we often have to add/subtract 1 to translate between the two.

atom_clicked
__init__(master, atomic_constraints=None)

Create a StructureListWidget instance

Parameters
  • master (ReorderAtomFrame) – The mapping property of the master is used by some subclasses

  • atomic_constraints (list or None) – list of atomic constraints for each atom or None

setStructure(struct)

Set the structure object for this widget and fill the widget

Parameters

struct (schrodinger.structure.Structure) – The structure object containing the data for this ListWidget

fill()

Fill the items in the ListWidget using the current structure

selectAtom(index)

Select the item that corresponds to the atom index

Parameters

index (int) – The index of atom whose item should be selected

itemSelected(row)

React to the user selecting an item in the ListWidget

Parameters

row (int) – The row of the item selected

parseAtomText(text)

Parse the given text into an element and atom index

Parameters

text (str) – String describing the atom such as C 13, H 1, etc. Also accepts strings for mapped atoms such as “C 13 - C 12”

Return type

(str, int)

Returns

The element and atom index specified by text

markAtomMapped(index, guess=False)

Mark the row for the given atom index as mapped

Parameters
  • index (int) – Atom to mark

  • guess (bool) – True if this mark results from a guess, False if not. The background color used depends on this parameter.

Return type

QListWidgetItem

Returns

The list widget item for the affected atom

markAtomUnmapped(index)

Mark the row for the given atom index as unmapped

Parameters

index (int) – Atom to mark

Return type

QListWidgetItem

Returns

The list widget item for the affected atom

getMarkedAtoms(guess=False)

Get atom indexes of marked atoms.

Parameters

guess (bool) – True if this mark results from a guess, False if not. The background color used depends on this parameter.

Return type

list(int)

Returns

Indexes of marked atoms

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
__len__()

Return len(self).

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])
addItem(self, aitem: QListWidgetItem)
addItem(self, label: str) None
addItems(self, labels: Iterable[str])
addScrollBarWidget(self, widget: QWidget, alignment: Qt.AlignmentFlag)
adjustSize(self)
allItems()

Return all the items in the list widget in order, including hidden ones

Return type

list

Returns

list of all QListWidgetItems in the list widget in order

allItemsIter(role=ItemDataRole.UserRole)

Return a generator over text and data of the list widget, inspired by .items() method of dict.

Parameters

role (int) – User role to pass do .data function

Return type

generator(tuple(str, type))

Returns

Generator over tupple of text and data of the list widget

allText()

Return the list of all text values, including hidden items

Return type

list

Returns

List of strings

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
clear(self)
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(self, a0: QCloseEvent)
closePersistentEditor(self, item: QListWidgetItem)
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
count(self) int
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
currentItem(self) QListWidgetItem
currentItemChanged

currentItemChanged(self, current: QListWidgetItem, previous: QListWidgetItem) [signal]

currentRow(self) int
currentRowChanged

currentRowChanged(self, currentRow: int) [signal]

currentTextChanged

currentTextChanged(self, currentText: str) [signal]

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, event: QDropEvent)
dropIndicatorPosition(self) QAbstractItemView.DropIndicatorPosition
dropMimeData(self, index: int, data: QMimeData, action: Qt.DropAction) bool
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) List[QByteArray]
edit(self, index: QModelIndex)
edit(self, index: QModelIndex, trigger: QAbstractItemView.EditTrigger, event: QEvent) bool
editItem(self, item: QListWidgetItem)
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]
findItems(self, text: str, flags: Qt.MatchFlag) List[QListWidgetItem]
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
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)
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
indexFromItem(self, item: QListWidgetItem) 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])
insertItem(self, row: int, item: QListWidgetItem)
insertItem(self, row: int, label: str) None
insertItems(self, row: int, labels: Iterable[str])
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, item: QListWidgetItem) bool
isRightToLeft(self) bool
isRowHidden(self, row: int) bool
isSelectionRectVisible(self) bool
isSignalConnected(self, signal: QMetaMethod) bool
isSortingEnabled(self) bool
isVisible(self) bool
isVisibleTo(self, a0: QWidget) bool
isWidgetType(self) bool
isWindow(self) bool
isWindowModified(self) bool
isWindowType(self) bool
isWrapping(self) bool
item(self, row: int) QListWidgetItem
itemActivated

itemActivated(self, item: QListWidgetItem) [signal]

itemAlignment(self) Qt.AlignmentFlag
itemAt(self, p: QPoint) QListWidgetItem
itemAt(self, ax: int, ay: int) QListWidgetItem
itemChanged

itemChanged(self, item: QListWidgetItem) [signal]

itemClicked

itemClicked(self, item: QListWidgetItem) [signal]

itemDelegate(self) QAbstractItemDelegate
itemDelegateForColumn(self, column: int) QAbstractItemDelegate
itemDelegateForIndex(self, index: QModelIndex) QAbstractItemDelegate
itemDelegateForRow(self, row: int) QAbstractItemDelegate
itemDoubleClicked

itemDoubleClicked(self, item: QListWidgetItem) [signal]

itemEntered

itemEntered(self, item: QListWidgetItem) [signal]

itemFromIndex(self, index: QModelIndex) QListWidgetItem
itemPressed

itemPressed(self, item: QListWidgetItem) [signal]

itemSelectionChanged

itemSelectionChanged(self) [signal]

itemWidget(self, item: QListWidgetItem) QWidget
items(self, data: QMimeData) List[QListWidgetItem]
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
mimeData(self, items: Iterable[QListWidgetItem]) QMimeData
mimeTypes(self) List[str]
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, item: QListWidgetItem)
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)
removeEventFilter(self, a0: QObject)
removeItem(item)

Removes and returns the given item

Parameters

item (QListWidgetItem or 0) – The item to be removed from the list widget or 0 if it is not found in the list widget

removeItemByText(text)

Removes and returns the item with the given text

Parameters

text (str) – the text of the item to be removed

Return type

QListWidgetItem or None

Returns

The removed item, or None if an item with the given text is not found.

removeItemWidget(self, aItem: QListWidgetItem)
removeSelectedItems()

Removes selected items.

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
row(self, item: QListWidgetItem) int
rowByText(text, match=MatchFlag.MatchExactly)

Returns the row that a given text is in. Also accounts for hidden items.

Parameters
  • text (str) – The text to find

  • match (Qt.MatchFlag) – Type of match to search for - default is exact

Return type

int or False

Returns

Row that holds matched text (can be 0), if text is not matched, returns False

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)
scrollToItem(self, item: QListWidgetItem, hint: QAbstractItemView.ScrollHint = QAbstractItemView.EnsureVisible)
scrollToTop(self)
selectAll(self)
selectedIndexes(self) List[QModelIndex]
selectedItems(self) List[QListWidgetItem]
selectedText()

Return the list of selected text values, including those of hidden items

Return type

list

Returns

List of strings, each member is the text of a selected item

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)
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)
setCurrentItem(self, item: QListWidgetItem)
setCurrentItem(self, item: QListWidgetItem, command: QItemSelectionModel.SelectionFlag) None
setCurrentRow(self, row: int)
setCurrentRow(self, row: int, command: QItemSelectionModel.SelectionFlag) None
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)
setItemWidget(self, item: QListWidgetItem, widget: QWidget)
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)
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
setSortingEnabled(self, enable: bool)
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)
setTextSelected(text, selected=True)

Selects the item with the given text. Will select hidden items too.

Parameters
  • text (str) – the text of the item to be selected

  • selected (bool) – True if the item should be selected, False if it should be deselected.

Return type

bool

Returns

True if an item with the given text is found, False if not

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(self)
showDropIndicator(self) bool
showEvent(self, a0: QShowEvent)
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
sortItems(self, order: Qt.SortOrder = Qt.AscendingOrder)
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
supportedDropActions(self) Qt.DropAction
tabKeyNavigation(self) bool
tabletEvent(self, a0: QTabletEvent)
takeItem(self, row: int) QListWidgetItem
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
visualItemRect(self, item: QListWidgetItem) QRect
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.application.matsci.reordergui.ComparisonListWidget(*args, **kwargs)

Bases: schrodinger.application.matsci.reordergui.StructureListWidget

The list widget for the Comparison structure.

__init__(*args, **kwargs)

See parent method for the documentation. Here defaults are set.

getAtomText(atom)

Get the text to display in a row of the ListWidget

The atom text for an item is just the atom element plus index

Parameters

atom (int or _StructureAtom) – A reference to the atom to create text for

Return type

str

Returns

The text to display for this atom

markAtomMapped(index, guess=False)

Mark the row for the given atom index as mapped

Adds to the parent method by deselecting the row

Parameters
  • index (int) – Atom to mark

  • guess (bool) – True if this mark results from a guess, False if not. The background color used depends on this parameter.

Return type

QListWidgetItem

Returns

The list widget item for the affected atom

markSuggestedAtom(index)

Mark foreground of the suggested atom item with SUGGEST_COLOR, previously suggested atom with BLACK.

Parameters

index (int) – Atom to mark

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
__len__()

Return len(self).

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])
addItem(self, aitem: QListWidgetItem)
addItem(self, label: str) None
addItems(self, labels: Iterable[str])
addScrollBarWidget(self, widget: QWidget, alignment: Qt.AlignmentFlag)
adjustSize(self)
allItems()

Return all the items in the list widget in order, including hidden ones

Return type

list

Returns

list of all QListWidgetItems in the list widget in order

allItemsIter(role=ItemDataRole.UserRole)

Return a generator over text and data of the list widget, inspired by .items() method of dict.

Parameters

role (int) – User role to pass do .data function

Return type

generator(tuple(str, type))

Returns

Generator over tupple of text and data of the list widget

allText()

Return the list of all text values, including hidden items

Return type

list

Returns

List of strings

alternatingRowColors(self) bool
atom_clicked
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
clear(self)
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(self, a0: QCloseEvent)
closePersistentEditor(self, item: QListWidgetItem)
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
count(self) int
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
currentItem(self) QListWidgetItem
currentItemChanged

currentItemChanged(self, current: QListWidgetItem, previous: QListWidgetItem) [signal]

currentRow(self) int
currentRowChanged

currentRowChanged(self, currentRow: int) [signal]

currentTextChanged

currentTextChanged(self, currentText: str) [signal]

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, event: QDropEvent)
dropIndicatorPosition(self) QAbstractItemView.DropIndicatorPosition
dropMimeData(self, index: int, data: QMimeData, action: Qt.DropAction) bool
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) List[QByteArray]
edit(self, index: QModelIndex)
edit(self, index: QModelIndex, trigger: QAbstractItemView.EditTrigger, event: QEvent) bool
editItem(self, item: QListWidgetItem)
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)
fill()

Fill the items in the ListWidget using the current structure

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]
findItems(self, text: str, flags: Qt.MatchFlag) List[QListWidgetItem]
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
getMarkedAtoms(guess=False)

Get atom indexes of marked atoms.

Parameters

guess (bool) – True if this mark results from a guess, False if not. The background color used depends on this parameter.

Return type

list(int)

Returns

Indexes of marked atoms

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)
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
indexFromItem(self, item: QListWidgetItem) 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])
insertItem(self, row: int, item: QListWidgetItem)
insertItem(self, row: int, label: str) None
insertItems(self, row: int, labels: Iterable[str])
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, item: QListWidgetItem) bool
isRightToLeft(self) bool
isRowHidden(self, row: int) bool
isSelectionRectVisible(self) bool
isSignalConnected(self, signal: QMetaMethod) bool
isSortingEnabled(self) bool
isVisible(self) bool
isVisibleTo(self, a0: QWidget) bool
isWidgetType(self) bool
isWindow(self) bool
isWindowModified(self) bool
isWindowType(self) bool
isWrapping(self) bool
item(self, row: int) QListWidgetItem
itemActivated

itemActivated(self, item: QListWidgetItem) [signal]

itemAlignment(self) Qt.AlignmentFlag
itemAt(self, p: QPoint) QListWidgetItem
itemAt(self, ax: int, ay: int) QListWidgetItem
itemChanged

itemChanged(self, item: QListWidgetItem) [signal]

itemClicked

itemClicked(self, item: QListWidgetItem) [signal]

itemDelegate(self) QAbstractItemDelegate
itemDelegateForColumn(self, column: int) QAbstractItemDelegate
itemDelegateForIndex(self, index: QModelIndex) QAbstractItemDelegate
itemDelegateForRow(self, row: int) QAbstractItemDelegate
itemDoubleClicked

itemDoubleClicked(self, item: QListWidgetItem) [signal]

itemEntered

itemEntered(self, item: QListWidgetItem) [signal]

itemFromIndex(self, index: QModelIndex) QListWidgetItem
itemPressed

itemPressed(self, item: QListWidgetItem) [signal]

itemSelected(row)

React to the user selecting an item in the ListWidget

Parameters

row (int) – The row of the item selected

itemSelectionChanged

itemSelectionChanged(self) [signal]

itemWidget(self, item: QListWidgetItem) QWidget
items(self, data: QMimeData) List[QListWidgetItem]
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
markAtomUnmapped(index)

Mark the row for the given atom index as unmapped

Parameters

index (int) – Atom to mark

Return type

QListWidgetItem

Returns

The list widget item for the affected atom

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
mimeData(self, items: Iterable[QListWidgetItem]) QMimeData
mimeTypes(self) List[str]
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, item: QListWidgetItem)
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
parseAtomText(text)

Parse the given text into an element and atom index

Parameters

text (str) – String describing the atom such as C 13, H 1, etc. Also accepts strings for mapped atoms such as “C 13 - C 12”

Return type

(str, int)

Returns

The element and atom index specified by text

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)
removeEventFilter(self, a0: QObject)
removeItem(item)

Removes and returns the given item

Parameters

item (QListWidgetItem or 0) – The item to be removed from the list widget or 0 if it is not found in the list widget

removeItemByText(text)

Removes and returns the item with the given text

Parameters

text (str) – the text of the item to be removed

Return type

QListWidgetItem or None

Returns

The removed item, or None if an item with the given text is not found.

removeItemWidget(self, aItem: QListWidgetItem)
removeSelectedItems()

Removes selected items.

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
row(self, item: QListWidgetItem) int
rowByText(text, match=MatchFlag.MatchExactly)

Returns the row that a given text is in. Also accounts for hidden items.

Parameters
  • text (str) – The text to find

  • match (Qt.MatchFlag) – Type of match to search for - default is exact

Return type

int or False

Returns

Row that holds matched text (can be 0), if text is not matched, returns False

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)
scrollToItem(self, item: QListWidgetItem, hint: QAbstractItemView.ScrollHint = QAbstractItemView.EnsureVisible)
scrollToTop(self)
selectAll(self)
selectAtom(index)

Select the item that corresponds to the atom index

Parameters

index (int) – The index of atom whose item should be selected

selectedIndexes(self) List[QModelIndex]
selectedItems(self) List[QListWidgetItem]
selectedText()

Return the list of selected text values, including those of hidden items

Return type

list

Returns

List of strings, each member is the text of a selected item

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)
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)
setCurrentItem(self, item: QListWidgetItem)
setCurrentItem(self, item: QListWidgetItem, command: QItemSelectionModel.SelectionFlag) None
setCurrentRow(self, row: int)
setCurrentRow(self, row: int, command: QItemSelectionModel.SelectionFlag) None
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)
setItemWidget(self, item: QListWidgetItem, widget: QWidget)
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)
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
setSortingEnabled(self, enable: bool)
setSpacing(self, space: int)
setState(self, state: QAbstractItemView.State)
setStatusTip(self, a0: str)
setStructure(struct)

Set the structure object for this widget and fill the widget

Parameters

struct (schrodinger.structure.Structure) – The structure object containing the data for this ListWidget

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)
setTextSelected(text, selected=True)

Selects the item with the given text. Will select hidden items too.

Parameters
  • text (str) – the text of the item to be selected

  • selected (bool) – True if the item should be selected, False if it should be deselected.

Return type

bool

Returns

True if an item with the given text is found, False if not

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(self)
showDropIndicator(self) bool
showEvent(self, a0: QShowEvent)
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
sortItems(self, order: Qt.SortOrder = Qt.AscendingOrder)
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
supportedDropActions(self) Qt.DropAction
tabKeyNavigation(self) bool
tabletEvent(self, a0: QTabletEvent)
takeItem(self, row: int) QListWidgetItem
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