schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets module

class schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.BasisSetColumns

Bases: object

HEADERS = ['Atom', 'ID', 'Entry Title', 'Basis Set']

NUM_COLS = 4

ATOM = 0

ID = 1

TITLE = 2

BASIS = 3

class schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.PerAtomBasisRow(entry_id, title, atom_name, atom_num, basis=None)

Bases: schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.base_widgets.SubTabRow

Data about a per-atom basis set setting

__init__(entry_id, title, atom_name, atom_num, basis=None)

copy()

Create a new row object that is a copy of this row

Return type

PerAtomBasisRow

Returns

The row item that is a copy of this row

hasValidBasis()

Does this row have a valid basis set?

Returns

True if the specified row has a valid basis. False if the basis is invalid or blank.

Return type

bool

getAtomNums()

Get a list of all atom numbers associated with this row (i.e. all atom to be marked by workspace markers). The default implementation checks for an atom_num or atom_nums attribute. Subclasses must redefine this function if neither of these attributes exist.

Returns

A list of atom numbers (relative to the entry, not the workspace structure)

Return type

list

getAtoms()

Get a list of all atoms associated with this row (i.e. all atom to be marked by workspace markers).

Returns

A list of schrodinger.structure._StructureAtom objects

Return type

list

getStructure()

Get the structure this row refers to

Returns

The structure

Return type

schrodinger.structure.Structure

class schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.BasisSetTableView(parent=None)

Bases: schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.base_widgets.SubTabTableView

COLUMN

alias of schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.BasisSetColumns

__init__(parent=None)

AboveItem = 1

AdjustIgnored = 0

AdjustToContents = 2

AdjustToContentsOnFirstShow = 1

AllEditTriggers = 31

AnimatingState = 6

AnyKeyPressed = 16

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

HLine = 4

IgnoreMask = 4

InternalMove = 4

MARGIN = 20

MoveDown = 1

MoveEnd = 5

MoveHome = 4

MoveLeft = 2

MoveNext = 8

MovePageDown = 7

MovePageUp = 6

MovePrevious = 9

MoveRight = 3

MoveUp = 0

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

SAMPLE_DATA = {}

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

SingleSelection = 1

class SizeAdjustPolicy(value)

Bases: enum.Enum

An enumeration.

AdjustIgnored = 0

AdjustToContentsOnFirstShow = 1

AdjustToContents = 2

class State(value)

Bases: enum.Enum

An enumeration.

NoState = 0

DraggingState = 1

DragSelectingState = 2

EditingState = 3

ExpandingState = 4

CollapsingState = 5

AnimatingState = 6

class StyleMask(value)

Bases: enum.Enum

An enumeration.

Shadow_Mask = 240

Shape_Mask = 15

StyledPanel = 6

Sunken = 48

VLine = 5

WinPanel = 3

acceptDrops(self) → bool

accessibleDescription(self) → str

accessibleName(self) → str

actionEvent(self, a0: QActionEvent)

actions(self) → List[QAction]

activateWindow(self)

activated

activated(self, index: QModelIndex) [signal]

addAction(self, action: QAction)

addActions(self, actions: Iterable[QAction])

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

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)

clearSelection(self)

clearSpans(self)

clicked

clicked(self, index: QModelIndex) [signal]

close(self) → bool

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

closeEvent(self, a0: QCloseEvent)

closePersistentEditor(self, index: QModelIndex)

colorCount(self) → int

columnAt(self, x: int) → int

columnCountChanged(self, oldCount: int, newCount: int)

columnMoved(self, column: int, oldIndex: int, newIndex: int)

columnResized(self, column: int, oldWidth: int, newWidth: int)

columnSpan(self, row: int, column: int) → int

columnViewportPosition(self, column: int) → int

columnWidth(self, column: int) → int

commitData(self, editor: QWidget)

commitDataToSelected(editor, index, delegate)

Commit data to all selected cells in the column that is currently being edited.

Parameters

• editor (PyQt5.QtWidgets.QWidget) – The editor being used to enter data

• index (PyQt5.QtCore.QModelIndex) – The index being edited

• delegate (PyQt5.QtWidgets.QAbstractItemDelegate) – The delegate used to create the editor

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, event: 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]

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

gridStyle(self) → Qt.PenStyle

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)

hideColumn(self, column: int)

hideEvent(self, a0: QHideEvent)

hideRow(self, row: int)

horizontalHeader(self) → QHeaderView

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

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

isColumnHidden(self, column: int) → bool

isCornerButtonEnabled(self) → 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

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

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

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

mouseDoubleClickEvent(self, e: QMouseEvent)

mouseGrabber() → QWidget

mouseMoveEvent(self, e: QMouseEvent)

mousePressEvent(self, e: QMouseEvent)

mouseReleaseEvent(event)

Create the popup menu when the user right clicks

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)

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

releaseKeyboard(self)

releaseMouse(self)

releaseShortcut(self, id: int)

removeAction(self, action: QAction)

removeEventFilter(self, a0: QObject)

removeSelectedRows()

Remove the currently selected rows from the table

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

resizeColumnToContents(self, column: int)

resizeColumnsToContents(self)

resizeEvent(self, e: QResizeEvent)

resizeRowToContents(self, row: int)

resizeRowsToContents(self)

restoreGeometry(self, geometry: QByteArray) → bool

rootIndex(self) → QModelIndex

rowAt(self, y: int) → int

rowCountChanged(self, oldCount: int, newCount: int)

rowHeight(self, row: int) → int

rowMoved(self, row: int, oldIndex: int, newIndex: int)

rowResized(self, row: int, oldHeight: int, newHeight: int)

rowSpan(self, row: int, column: int) → int

rowViewportPosition(self, row: int) → int

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)

selectColumn(self, column: int)

selectRow(self, row: int)

selectedIndexes(self) → List[QModelIndex]

selectionBehavior(self) → QAbstractItemView.SelectionBehavior

selectionChanged(new_sel, old_sel)

When the table selection changes, emit the appropriate signals to update marker highlighting.

Parameters

• new_sel (PyQt5.QtCore.QItemSelection) – The new table selection

• old_sel (PyQt5.QtCore.QItemSelection) – The previous table selection

selectionCommand(index, event=None)

Don’t update the current selection when using the keyboard to navigate or when clicking on a selected editable item.

Parameters

• index (PyQt5.QtCore.QModelIndex) – The newly selected index

• event (PyQt5.QtCore.QEvent) – The event that triggered the index change

Returns

A flag describing how the selection should be updated

Return type

int

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

setColumnHidden(self, column: int, hide: bool)

setColumnWidth(self, column: int, width: int)

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

setContentsMargins(self, margins: QMargins) → None

setContextMenuPolicy(self, policy: Qt.ContextMenuPolicy)

setCornerButtonEnabled(self, enable: bool)

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)

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)

setGridStyle(self, style: Qt.PenStyle)

setHidden(self, hidden: bool)

setHorizontalHeader(self, header: QHeaderView)

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)

setItemDelegate(self, delegate: QAbstractItemDelegate)

setItemDelegateForColumn(column, delegate, connect_selected=False)

Set the delegate for the specified column. Note that this function adds the optional connect_selected argument not present in the QTableView function.

Parameters

• column (int) – The column to set the delegate for

• delegate (PyQt5.QtWidgets.QAbstractItemDelegate) – The delegate to set

• connect_selected (bool) – If True, the delegate’s commitDataToSelected signal will be connected

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

setLayout(self, a0: QLayout)

setLayoutDirection(self, direction: Qt.LayoutDirection)

setLineWidth(self, a0: int)

setLocale(self, locale: QLocale)

setMarkerHighlighting

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(model)

After setting the model, resize the columns using the sample data and the header data provided by the model

See Qt documentation for an explanation of arguments

setMouseTracking(self, enable: bool)

setObjectName(self, name: str)

setPalette(self, a0: QPalette)

setParent(self, parent: QWidget)

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

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

setRootIndex(self, index: QModelIndex)

setRowHeight(self, row: int, height: int)

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)

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

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

setShowGrid(self, show: bool)

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)

setSpan(self, row: int, column: int, rowSpan: int, columnSpan: 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)

setUpdatesEnabled(self, enable: bool)

setVerticalHeader(self, header: QHeaderView)

setVerticalScrollBar(self, scrollbar: QScrollBar)

setVerticalScrollBarPolicy(self, a0: Qt.ScrollBarPolicy)

setVerticalScrollMode(self, mode: QAbstractItemView.ScrollMode)

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)

setupViewport(self, viewport: QWidget)

sharedPainter(self) → QPainter

show(self)

showColumn(self, column: int)

showDropIndicator(self) → bool

showEvent(self, a0: QShowEvent)

showFullScreen(self)

showGrid(self) → bool

showMaximized(self)

showMinimized(self)

showNormal(self)

showRow(self, row: int)

signalsBlocked(self) → bool

size(self) → QSize

sizeAdjustPolicy(self) → QAbstractScrollArea.SizeAdjustPolicy

sizeHint(self) → QSize

sizeHintForColumn(col_num)

Provide a size hint for the specified column using the sample data. Note that this method does not take header width into account as the header width is already accounted for in resizeColumnToContents.

See Qt documentation for an explanation of arguments and return value

sizeHintForIndex(self, index: QModelIndex) → QSize

sizeHintForRow(self, row: int) → int

sizeIncrement(self) → QSize

sizePolicy(self) → QSizePolicy

sortByColumn(self, column: int, order: Qt.SortOrder)

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, event: 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)

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

verticalHeader(self) → QHeaderView

verticalOffset(self) → int

verticalScrollBar(self) → QScrollBar

verticalScrollBarPolicy(self) → Qt.ScrollBarPolicy

verticalScrollMode(self) → QAbstractItemView.ScrollMode

verticalScrollbarAction(self, action: int)

verticalScrollbarValueChanged(self, value: int)

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, a0: 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.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.BasisSetModel(parent=None)

Bases: schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.base_widgets.SubTabModel

COLUMN

alias of schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.BasisSetColumns

UNEDITABLE = (0, 1, 2)

ROW_CLASS

alias of schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.PerAtomBasisRow

MARKER_SETTINGS = {'alt_color': 'yellow', 'color': 'orange'}

basisChanged

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

perAtomBasisForEid(eid, name=False)

Return the per-atom basis sets for the specified entry ID

Parameters

• eid (str) – The entry id

• name (bool) – If True, the return dictionary keys will be atom names. If False, the keys will be atom numbers.

Returns

A dictionary of {atom number: basis set} or {atom name: basis set}

Return type

dict

class CheckIndexOption(value)

Bases: enum.Flag

An enumeration.

NoOption = 0

IndexIsValid = 1

DoNotUseParent = 2

ParentIsInvalid = 4

ERROR_BACKGROUND_BRUSH = <PyQt6.QtGui.QBrush object>

HorizontalSortHint = 2

class LayoutChangeHint(value)

Bases: enum.Enum

An enumeration.

NoLayoutChangeHint = 0

VerticalSortHint = 1

HorizontalSortHint = 2

NoLayoutChangeHint = 0

VerticalSortHint = 1

__init__(parent=None)

addJaguarMarker

addJaguarMarkerForRow(row)

Add a workspace marker for the given row. Subclasses must override this class if they require more than one workspace marker per row. Note that any given set of atom(s) may only have one marker per sub-tab. The sub-tab is responsible for ensuring that a marker is not added to a set of atom(s) that already has a marker.

Parameters

row (SubTabRow) – The row to add the marker for

addRow(*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

appendFromModel(model)

Append the rows of model to this model

Parameters

model (subclass of SubTabModel) – The model to copy data from, should be the same subclass as this object

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]

clearDataForEid(eid)

Clear all data related to the specified entry ID

Parameters

eid (str) – The entry id

clearItemData(self, index: QModelIndex) → bool

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(self, index: QModelIndex, role: int = Qt.DisplayRole) → Any

dataChanged

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

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

deleteLater(self)

destroyed

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

disconnect(a0: QMetaObject.Connection) → bool

disconnect(self) → None

disconnectNotify(self, signal: QMetaMethod)

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

dumpObjectInfo(self)

dumpObjectTree(self)

dynamicPropertyNames(self) → List[QByteArray]

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

endInsertColumns(self)

endInsertRows(self)

endMoveColumns(self)

endMoveRows(self)

endRemoveColumns(self)

endRemoveRows(self)

endResetModel(self)

event(self, a0: QEvent) → bool

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

fetchMore(self, parent: QModelIndex)

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

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

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

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

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

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

flags(index)

Flag columns in UNEDITABLE as uneditable.

See Qt documentation for an explanation of arguments and return value

getStructEidMap()

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

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

headerData(self, section: int, orientation: Qt.Orientation, role: int = Qt.DisplayRole) → Any

headerDataChanged

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

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

inherits(self, classname: str) → bool

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

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

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

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

installEventFilter(self, a0: QObject)

isSignalConnected(self, signal: QMetaMethod) → bool

isWidgetType(self) → bool

isWindowType(self) → bool

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

killTimer(self, id: int)

layoutAboutToBeChanged

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

layoutChanged

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

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

metaObject(self) → QMetaObject

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

mimeTypes(self) → List[str]

modelAboutToBeReset

modelAboutToBeReset(self) [signal]

modelReset

modelReset(self) [signal]

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

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

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

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

moveToThread(self, thread: QThread)

objectName(self) → str

objectNameChanged

objectNameChanged(self, objectName: str) [signal]

parent(self) → QObject

persistentIndexList(self) → List[QModelIndex]

property(self, name: str) → Any

pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int

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

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

removeEventFilter(self, a0: QObject)

removeJaguarMarker

removeJaguarMarkerForRow(row)

Remove the workspace marker for the given row. Subclasses must override this class if they create more than one workspace marker per row.

Parameters

row (SubTabRow) – The row to remove the marker for

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

reset()

resetInternalData(self)

revert(self)

roleNames(self) → Dict[int, QByteArray]

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

rowsAboutToBeInserted

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

rowsAboutToBeMoved

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

rowsAboutToBeRemoved

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

rowsForEid(eid)

Get all rows that refer to the specified entry ID

Parameters

eid (str) – The entry id

Returns

A list of ROW_CLASS objects

Return type

list

rowsInserted

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

rowsMoved

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

rowsRemoved

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

sender(self) → QObject

senderSignalIndex(self) → int

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

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

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

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

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

setObjectName(self, name: str)

setParent(self, a0: QObject)

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

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

signalsBlocked(self) → bool

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

span(self, index: QModelIndex) → QSize

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

staticMetaObject = <PyQt6.QtCore.QMetaObject object>

submit(self) → bool

supportedDragActions(self) → Qt.DropAction

supportedDropActions(self) → Qt.DropAction

thread(self) → QThread

timerEvent(self, a0: QTimerEvent)

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

updateEntryTitles(eids_to_titles)

Update the entry titles in case they have changed in the project table

Parameters

eids_to_titles (dict) – A dictionary of {entry id: title}

class schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.BasisSetProxyModel(parent=None)

Bases: schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.base_widgets.SubTabProxyModel

checkBasisSets()

Check to see if all rows have valid basis sets

Returns

An OrderedDict of {entry title: list of atom names with invalid basis sets}. The OrderedDict and atom lists are in the same order as the table itself. If all rows have valid basis sets, then an empty OrderedDict is returned.

Return type

OrderedDict

COLUMN = None

class CheckIndexOption(value)

Bases: enum.Flag

An enumeration.

NoOption = 0

IndexIsValid = 1

DoNotUseParent = 2

ParentIsInvalid = 4

HorizontalSortHint = 2

class LayoutChangeHint(value)

Bases: enum.Enum

An enumeration.

NoLayoutChangeHint = 0

VerticalSortHint = 1

HorizontalSortHint = 2

NoLayoutChangeHint = 0

VerticalSortHint = 1

__init__(parent=None)

autoAcceptChildRows(self) → bool

autoAcceptChildRowsChanged

autoAcceptChildRowsChanged(self, autoAcceptChildRows: bool) [signal]

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

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(self, index: QModelIndex, role: int = Qt.DisplayRole) → Any

dataChanged

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

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

deleteLater(self)

destroyed

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

disconnect(a0: QMetaObject.Connection) → bool

disconnect(self) → None

disconnectNotify(self, signal: QMetaMethod)

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

dumpObjectInfo(self)

dumpObjectTree(self)

dynamicPropertyNames(self) → List[QByteArray]

dynamicSortFilter(self) → bool

dynamicSortFilterChanged

dynamicSortFilterChanged(self, dynamicSortFilter: bool) [signal]

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

endInsertColumns(self)

endInsertRows(self)

endMoveColumns(self)

endMoveRows(self)

endRemoveColumns(self)

endRemoveRows(self)

endResetModel(self)

event(self, a0: QEvent) → bool

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

fetchMore(self, parent: QModelIndex)

filterAcceptsColumn(self, source_column: int, source_parent: QModelIndex) → bool

filterAcceptsRow(source_row, source_parent=None)

Accept a row only if the entry id is in self._displayed_eids or if the entry id is blank

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

filterCaseSensitivity(self) → Qt.CaseSensitivity

filterCaseSensitivityChanged

filterCaseSensitivityChanged(self, filterCaseSensitivity: Qt.CaseSensitivity) [signal]

filterKeyColumn(self) → int

filterRegularExpression(self) → QRegularExpression

filterRole(self) → int

filterRoleChanged

filterRoleChanged(self, filterRole: int) [signal]

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

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

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

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

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

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

flags(self, index: QModelIndex) → Qt.ItemFlag

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

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

headerData(self, section: int, orientation: Qt.Orientation, role: int = Qt.DisplayRole) → Any

headerDataChanged

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

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

inherits(self, classname: str) → bool

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

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

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

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

installEventFilter(self, a0: QObject)

invalidate(self)

invalidateColumnsFilter(self)

invalidateFilter(self)

invalidateRowsFilter(self)

isAcceptableEid(eid)

Is the specified entry ID currently included in the Input tab table? i.e., Would this entry ID be acceptable to display in the sub-tab table?

Parameters

eid (str) – The entry id

Returns

True if the entry ID is acceptable. False otherwise.

Return type

bool

isRecursiveFilteringEnabled(self) → bool

isSignalConnected(self, signal: QMetaMethod) → bool

isSortLocaleAware(self) → bool

isWidgetType(self) → bool

isWindowType(self) → bool

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

killTimer(self, id: int)

layoutAboutToBeChanged

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

layoutChanged

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

lessThan(left, right)

Compare two indices for sorting. Assume that the ATOM column contains atom names. Assume that the ATOMS column contains either:

• a string of atom names separated by commas and white space

• a list or tuple of atom names

Atom names are then sorted numerically. All other columns are sorted using Python’s less than operator (which allows tuples to be sorted as expected).

See Qt documentation for an explanation of arguments and return value

mapFromSource(self, sourceIndex: QModelIndex) → QModelIndex

mapSelectionFromSource(self, sourceSelection: QItemSelection) → QItemSelection

mapSelectionToSource(self, proxySelection: QItemSelection) → QItemSelection

mapToSource(self, proxyIndex: QModelIndex) → QModelIndex

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

metaObject(self) → QMetaObject

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

mimeTypes(self) → List[str]

modelAboutToBeReset

modelAboutToBeReset(self) [signal]

modelReset

modelReset(self) [signal]

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

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

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

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

moveToThread(self, thread: QThread)

objectName(self) → str

objectNameChanged

objectNameChanged(self, objectName: str) [signal]

parent(self, child: QModelIndex) → QModelIndex

parent(self) → QObject

persistentIndexList(self) → List[QModelIndex]

property(self, name: str) → Any

pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int

recursiveFilteringEnabledChanged

recursiveFilteringEnabledChanged(self, recursiveFilteringEnabled: bool) [signal]

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

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

removeEventFilter(self, a0: QObject)

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

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

resetInternalData(self)

revert(self)

roleNames(self) → Dict[int, QByteArray]

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

rowsAboutToBeInserted

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

rowsAboutToBeMoved

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

rowsAboutToBeRemoved

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

rowsInserted

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

rowsMoved

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

rowsRemoved

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

sender(self) → QObject

senderSignalIndex(self) → int

setAutoAcceptChildRows(self, accept: bool)

setData(self, index: QModelIndex, value: Any, role: int = Qt.EditRole) → bool

setDisplayedEids(eids)

Set the entry ids to display in the table. This should correspond to the entry ids currently selected in the project table.

Parameters

eids (list) – The entry ids to display

setDynamicSortFilter(self, enable: bool)

setFilterCaseSensitivity(self, cs: Qt.CaseSensitivity)

setFilterFixedString(self, pattern: str)

setFilterKeyColumn(self, column: int)

setFilterRegularExpression(self, regularExpression: QRegularExpression)

setFilterRegularExpression(self, pattern: str) → None

setFilterRole(self, role: int)

setFilterWildcard(self, pattern: str)

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

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

setObjectName(self, name: str)

setParent(self, a0: QObject)

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

setRecursiveFilteringEnabled(self, recursive: bool)

setSortCaseSensitivity(self, cs: Qt.CaseSensitivity)

setSortLocaleAware(self, on: bool)

setSortRole(self, role: int)

setSourceModel(model)

When setting the source model, adopt its COLUMN constants if we don’t have one defined.

See Qt documentation for explanation of arguments.

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

signalsBlocked(self) → bool

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

sortCaseSensitivity(self) → Qt.CaseSensitivity

sortCaseSensitivityChanged

sortCaseSensitivityChanged(self, sortCaseSensitivity: Qt.CaseSensitivity) [signal]

sortColumn(self) → int

sortLocaleAwareChanged

sortLocaleAwareChanged(self, sortLocaleAware: bool) [signal]

sortOrder(self) → Qt.SortOrder

sortRole(self) → int

sortRoleChanged

sortRoleChanged(self, sortRole: int) [signal]

sourceModel(self) → QAbstractItemModel

sourceModelChanged

sourceModelChanged(self) [signal]

span(self, index: QModelIndex) → QSize

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

staticMetaObject = <PyQt6.QtCore.QMetaObject object>

submit(self) → bool

supportedDragActions(self) → Qt.DropAction

supportedDropActions(self) → Qt.DropAction

thread(self) → QThread

timerEvent(self, a0: QTimerEvent)

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

class schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.AtomBasisSetDelegate(parent)

Bases: schrodinger.ui.qt.pop_up_widgets.PopUpDelegate, schrodinger.ui.qt.delegates.DefaultMessageDelegate

A delegate for selecting per-atom basis sets

__init__(parent)

Parameters

• parent (PyQt5.QtWidgets.QWidget) – The Qt parent widget

• pop_up_class (type) – The class of the pop up widget. Should be a subclass of PopUp.

• enable_accept_multi (bool) – Whether committing data to all selected cells at once is enabled. If True, commitDataToSelected will be emitted when the LineEditWithPopUp emits popUpClosing with ACCEPT_MULTI. If False, commitData will be emitted instead.

EditNextItem = 1

EditPreviousItem = 2

class EndEditHint(value)

Bases: enum.Enum

An enumeration.

NoHint = 0

EditNextItem = 1

EditPreviousItem = 2

SubmitModelCache = 3

RevertModelCache = 4

FONT = <PyQt6.QtGui.QFont object>

FOREGROUND = <PyQt6.QtGui.QBrush object>

NoHint = 0

RevertModelCache = 4

SubmitModelCache = 3

blockSignals(self, b: bool) → bool

childEvent(self, a0: QChildEvent)

children(self) → List[QObject]

closeEditor

closeEditor(self, editor: QWidget, hint: QAbstractItemDelegate.EndEditHint = QAbstractItemDelegate.NoHint) [signal]

commitData

commitData(self, editor: QWidget) [signal]

commitDataToSelected

connectNotify(self, signal: QMetaMethod)

createEditor(parent, option, index)

Create the editor and connect the popUpClosing signal. If a subclass needs to modify editor instantiation, _createEditor should be reimplemented instead of this function to ensure that the popUpClosing signal is connected properly.

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

customEvent(self, a0: QEvent)

deleteLater(self)

destroyEditor(self, editor: QWidget, index: QModelIndex)

destroyed

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

disconnect(a0: QMetaObject.Connection) → bool

disconnect(self) → None

disconnectNotify(self, signal: QMetaMethod)

displayText(self, value: Any, locale: QLocale) → str

dumpObjectInfo(self)

dumpObjectTree(self)

dynamicPropertyNames(self) → List[QByteArray]

editorEvent(self, event: QEvent, model: QAbstractItemModel, option: QStyleOptionViewItem, index: QModelIndex) → bool

event(self, a0: QEvent) → bool

eventFilter(editor, event)

Ignore the editor losing focus, since focus may be switching to one of the pop up widgets. If the editor including the popup loses focus, popUpClosed will be called.

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

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]

helpEvent(self, event: QHelpEvent, view: QAbstractItemView, option: QStyleOptionViewItem, index: QModelIndex) → bool

inherits(self, classname: str) → bool

initStyleOption(self, option: QStyleOptionViewItem, index: QModelIndex)

installEventFilter(self, a0: QObject)

isSignalConnected(self, signal: QMetaMethod) → bool

isWidgetType(self) → bool

isWindowType(self) → bool

itemEditorFactory(self) → QItemEditorFactory

killTimer(self, id: int)

metaObject(self) → QMetaObject

moveToThread(self, thread: QThread)

objectName(self) → str

objectNameChanged

objectNameChanged(self, objectName: str) [signal]

paint(painter, option, index)

If the DisplayRole data for index is empty, paint the default message instead.

See Qt documentation for an explanation of arguments.

parent(self) → QObject

popUpClosed(editor, accept)

Respond to the editor closing by either rejecting or accepting the data. If enable_accept_multi is True, the data may also be committed to all selected rows.

Parameters

• editor (LineEditWithPopUp) – The editor that was just closed

• accept (int) – The signal that was emitted by the editor when it closed

property(self, name: str) → Any

pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int

removeEventFilter(self, a0: QObject)

sender(self) → QObject

senderSignalIndex(self) → int

setEditorData(self, editor: QWidget, index: QModelIndex)

setItemEditorFactory(self, factory: QItemEditorFactory)

setModelData(self, editor: QWidget, model: QAbstractItemModel, index: QModelIndex)

setObjectName(self, name: str)

setParent(self, a0: QObject)

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

signalsBlocked(self) → bool

sizeHint(self, option: QStyleOptionViewItem, index: QModelIndex) → QSize

sizeHintChanged

sizeHintChanged(self, a0: QModelIndex) [signal]

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

staticMetaObject = <PyQt6.QtCore.QMetaObject object>

thread(self) → QThread

timerEvent(self, a0: QTimerEvent)

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

updateEditorGeometry(self, editor: QWidget, option: QStyleOptionViewItem, index: QModelIndex)