schrodinger.ui.qt.config_dialog module

This module provides classes for config dialogs (for use with AppFramework). These are dialogs that allow the user to specify parameters for launching a job (jobname, host, #cpus, etc).

class schrodinger.ui.qt.config_dialog.RequestedAction

Bases: enum.Enum

An enumeration.

DoNothing = 1
Run = 2
Write = 3
class schrodinger.ui.qt.config_dialog.GpuHostProductMode

Bases: enum.Enum

An enumeration.

Multiple = 3
NoGpus = 1
Single = 2
SingleOnlyGpu = 4
class schrodinger.ui.qt.config_dialog.MultiHostTableModel

Bases: PyQt5.QtCore.QAbstractTableModel

Model for the hosts table.

NAME_COL = 0
PROCS_COL = 1
USE_COL = 2
COL_HEADERS = ['Host name', 'Processors', 'Use']
__init__()

Initialize self. See help(type(self)) for accurate signature.

rowCount(parent=<PyQt5.QtCore.QModelIndex object>)

Returns number of rows. Used by Qt view.

columnCount(parent=<PyQt5.QtCore.QModelIndex object>)

Returns number of columns. Used by Qt view.

headerData(section, orientation, role)

Returns the string that should be displayed in the specified header cell. Used by Qt view.

flags(index)

Returns flags for the specified cell. Basically reports whether it is a checkbutton or not.

data(index, role)

Given a cell index, return the string that should be displayed in that cell. Used by the Qt view.

getRowHost(row)
getRowUseProcs(row)
setRowUseProcs(row, use)

Update the “Use” value for the given row.

setData(index, value, role)

Called by the Qt view when the user edits the “Use” value.

setHosts(hosts)

Populate the model based on the specified list of jobcontrol.Host objects.

class CheckIndexOption

Bases: enum.IntEnum

An enumeration.

DoNotUseParent = 2
IndexIsValid = 1
NoOption = 0
ParentIsInvalid = 4
class CheckIndexOptions

Bases: sip.simplewrapper

QAbstractItemModel.CheckIndexOptions(Union[QAbstractItemModel.CheckIndexOptions, QAbstractItemModel.CheckIndexOption]) QAbstractItemModel.CheckIndexOptions(QAbstractItemModel.CheckIndexOptions)

__init__

Initialize self. See help(type(self)) for accurate signature.

HorizontalSortHint = 2
class LayoutChangeHint

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x156f6c8>
NoLayoutChangeHint = 0
VerticalSortHint = 1
beginInsertColumns(self, QModelIndex, int, int)
beginInsertRows(self, QModelIndex, int, int)
beginMoveColumns(self, QModelIndex, int, int, QModelIndex, int) → bool
beginMoveRows(self, QModelIndex, int, int, QModelIndex, int) → bool
beginRemoveColumns(self, QModelIndex, int, int)
beginRemoveRows(self, QModelIndex, int, int)
beginResetModel(self)
blockSignals(self, bool) → bool
buddy(self, QModelIndex) → QModelIndex
canDropMimeData(self, QMimeData, Qt.DropAction, int, int, QModelIndex) → bool
canFetchMore(self, QModelIndex) → bool
changePersistentIndex(self, QModelIndex, QModelIndex)
changePersistentIndexList(self, Iterable[QModelIndex], Iterable[QModelIndex])
checkIndex(self, QModelIndex, options: Union[QAbstractItemModel.CheckIndexOptions, QAbstractItemModel.CheckIndexOption] = QAbstractItemModel.CheckIndexOption.NoOption) → bool
childEvent(self, QChildEvent)
children(self) → List[QObject]
columnsAboutToBeInserted

columnsAboutToBeInserted(self, QModelIndex, int, int) [signal]

columnsAboutToBeMoved

columnsAboutToBeMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]

columnsAboutToBeRemoved

columnsAboutToBeRemoved(self, QModelIndex, int, int) [signal]

columnsInserted

columnsInserted(self, QModelIndex, int, int) [signal]

columnsMoved

columnsMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]

columnsRemoved

columnsRemoved(self, QModelIndex, int, int) [signal]

connectNotify(self, QMetaMethod)
createIndex(self, int, int, object: object = 0) → QModelIndex
customEvent(self, QEvent)
dataChanged

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

decodeData(self, int, int, QModelIndex, QDataStream) → bool
deleteLater(self)
destroyed

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

disconnect(self)
disconnectNotify(self, QMetaMethod)
dropMimeData(self, QMimeData, Qt.DropAction, int, int, QModelIndex) → bool
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
encodeData(self, Iterable[QModelIndex], QDataStream)
endInsertColumns(self)
endInsertRows(self)
endMoveColumns(self)
endMoveRows(self)
endRemoveColumns(self)
endRemoveRows(self)
endResetModel(self)
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
fetchMore(self, QModelIndex)
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject

findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject

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

findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]

hasChildren()
hasIndex(self, int, int, parent: QModelIndex = QModelIndex()) → bool
headerDataChanged

headerDataChanged(self, Qt.Orientation, int, int) [signal]

index(self, int, int, parent: QModelIndex = QModelIndex()) → QModelIndex
inherits(self, str) → bool
insertColumn(self, int, parent: QModelIndex = QModelIndex()) → bool
insertColumns(self, int, int, parent: QModelIndex = QModelIndex()) → bool
insertRow(self, int, parent: QModelIndex = QModelIndex()) → bool
insertRows(self, int, int, parent: QModelIndex = QModelIndex()) → bool
installEventFilter(self, QObject)
isSignalConnected(self, QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
itemData(self, QModelIndex) → Dict[int, Any]
killTimer(self, 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, QModelIndex, int, Any, hits: int = 1, flags: Union[Qt.MatchFlags, Qt.MatchFlag] = Qt.MatchStartsWith|Qt.MatchWrap) → List[QModelIndex]
metaObject(self) → QMetaObject
mimeData(self, Iterable[QModelIndex]) → QMimeData
mimeTypes(self) → List[str]
modelAboutToBeReset

modelAboutToBeReset(self) [signal]

modelReset

modelReset(self) [signal]

moveColumn(self, QModelIndex, int, QModelIndex, int) → bool
moveColumns(self, QModelIndex, int, int, QModelIndex, int) → bool
moveRow(self, QModelIndex, int, QModelIndex, int) → bool
moveRows(self, QModelIndex, int, int, QModelIndex, int) → bool
moveToThread(self, QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

parent(self) → QObject
persistentIndexList(self) → List[QModelIndex]
property(self, str) → Any
pyqtConfigure(...)

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

receivers(self, PYQT_SIGNAL) → int
removeColumn(self, int, parent: QModelIndex = QModelIndex()) → bool
removeColumns(self, int, int, parent: QModelIndex = QModelIndex()) → bool
removeEventFilter(self, QObject)
removeRow(self, int, parent: QModelIndex = QModelIndex()) → bool
removeRows(self, int, int, parent: QModelIndex = QModelIndex()) → bool
resetInternalData(self)
revert(self)
roleNames(self) → Dict[int, QByteArray]
rowsAboutToBeInserted

rowsAboutToBeInserted(self, QModelIndex, int, int) [signal]

rowsAboutToBeMoved

rowsAboutToBeMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]

rowsAboutToBeRemoved

rowsAboutToBeRemoved(self, QModelIndex, int, int) [signal]

rowsInserted

rowsInserted(self, QModelIndex, int, int) [signal]

rowsMoved

rowsMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]

rowsRemoved

rowsRemoved(self, QModelIndex, int, int) [signal]

sender(self) → QObject
senderSignalIndex(self) → int
setHeaderData(self, int, Qt.Orientation, Any, role: int = Qt.EditRole) → bool
setItemData(self, QModelIndex, Dict[int, Any]) → bool
setObjectName(self, str)
setParent(self, QObject)
setProperty(self, str, Any) → bool
sibling(self, int, int, QModelIndex) → QModelIndex
signalsBlocked(self) → bool
sort(self, int, order: Qt.SortOrder = Qt.AscendingOrder)
span(self, QModelIndex) → QSize
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
submit(self) → bool
supportedDragActions(self) → Qt.DropActions
supportedDropActions(self) → Qt.DropActions
thread(self) → QThread
timerEvent(self, QTimerEvent)
tr(self, str, disambiguation: str = None, n: int = -1) → str
class schrodinger.ui.qt.config_dialog.MultiHostSelector(parent)

Bases: PyQt5.QtWidgets.QFrame

Widget that contains a table for selecting multiple hosts. PANEL-1805 and PYTHON-776

__init__(parent)

Initialize self. See help(type(self)) for accurate signature.

populateHostsTable()

Populate the multi-hosts table with the available hosts.

selectHosts(select_hosts)

Select the given hosts in the multi-hosts table.

Parameters:select_hosts (List or set of strings.) – The names of hosts to select.
getSelectedHosts()

Returns a list of the selected hosts (hostname and selected NCPUS) in the hosts table.

Returns:List of hosts and the selected number of processors. CPUs value is None for “*” values.
Return type:List of (str, int/None) tuples.
Box = 1
DrawChildren = 2
DrawWindowBackground = 1
HLine = 4
IgnoreMask = 4
NoFrame = 0
class PaintDeviceMetric

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1409398>
Panel = 2
PdmDepth = 6
PdmDevicePixelRatio = 11
PdmDevicePixelRatioScaled = 12
PdmDpiX = 7
PdmDpiY = 8
PdmHeight = 2
PdmHeightMM = 4
PdmNumColors = 5
PdmPhysicalDpiX = 9
PdmPhysicalDpiY = 10
PdmWidth = 1
PdmWidthMM = 3
Plain = 16
Raised = 32
class RenderFlag

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1750518>
class RenderFlags

Bases: sip.simplewrapper

QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)

__init__

Initialize self. See help(type(self)) for accurate signature.

class Shadow

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x146c058>
Shadow_Mask = 240
class Shape

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x146c408>
Shape_Mask = 15
class StyleMask

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x146c7b8>
StyledPanel = 6
Sunken = 48
VLine = 5
WinPanel = 3
acceptDrops(self) → bool
accessibleDescription(self) → str
accessibleName(self) → str
actionEvent(self, QActionEvent)
actions(self) → List[QAction]
activateWindow(self)
addAction(self, QAction)
addActions(self, Iterable[QAction])
adjustSize(self)
autoFillBackground(self) → bool
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, bool) → bool
changeEvent(self, QEvent)
childAt(self, QPoint) → QWidget

childAt(self, int, int) -> QWidget

childEvent(self, QChildEvent)
children(self) → List[QObject]
childrenRect(self) → QRect
childrenRegion(self) → QRegion
clearFocus(self)
clearMask(self)
close(self) → bool
closeEvent(self, QCloseEvent)
colorCount(self) → int
connectNotify(self, QMetaMethod)
contentsMargins(self) → QMargins
contentsRect(self) → QRect
contextMenuEvent(self, QContextMenuEvent)
contextMenuPolicy(self) → Qt.ContextMenuPolicy
create(self, window: sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, QPoint) [signal]

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

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

devType(self) → int
devicePixelRatio(self) → int
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(self)
disconnectNotify(self, QMetaMethod)
dragEnterEvent(self, QDragEnterEvent)
dragLeaveEvent(self, QDragLeaveEvent)
dragMoveEvent(self, QDragMoveEvent)
drawFrame(self, QPainter)
dropEvent(self, QDropEvent)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
effectiveWinId(self) → sip.voidptr
ensurePolished(self)
enterEvent(self, QEvent)
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
find(sip.voidptr) → QWidget
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject

findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject

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

findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]

focusInEvent(self, QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, bool) → bool
focusOutEvent(self, QFocusEvent)
focusPolicy(self) → Qt.FocusPolicy
focusPreviousChild(self) → bool
focusProxy(self) → QWidget
focusWidget(self) → QWidget
font(self) → QFont
fontInfo(self) → QFontInfo
fontMetrics(self) → QFontMetrics
foregroundRole(self) → QPalette.ColorRole
frameGeometry(self) → QRect
frameRect(self) → QRect
frameShadow(self) → QFrame.Shadow
frameShape(self) → QFrame.Shape
frameSize(self) → QSize
frameStyle(self) → int
frameWidth(self) → int
geometry(self) → QRect
getContentsMargins(self) → Tuple[int, int, int, int]
grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(-1, -1))) → QPixmap
grabGesture(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)

grabMouse(self, Union[QCursor, Qt.CursorShape])

grabShortcut(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int
graphicsEffect(self) → QGraphicsEffect
graphicsProxyWidget(self) → QGraphicsProxyWidget
hasFocus(self) → bool
hasHeightForWidth(self) → bool
hasMouseTracking(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, int) → int
heightMM(self) → int
hide(self)
hideEvent(self, QHideEvent)
inherits(self, str) → bool
initPainter(self, QPainter)
initStyleOption(self, QStyleOptionFrame)
inputMethodEvent(self, QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHints
inputMethodQuery(self, Qt.InputMethodQuery) → Any
insertAction(self, QAction, QAction)
insertActions(self, QAction, Iterable[QAction])
installEventFilter(self, QObject)
isActiveWindow(self) → bool
isAncestorOf(self, QWidget) → bool
isEnabled(self) → bool
isEnabledTo(self, QWidget) → bool
isFullScreen(self) → bool
isHidden(self) → bool
isLeftToRight(self) → bool
isMaximized(self) → bool
isMinimized(self) → bool
isModal(self) → bool
isRightToLeft(self) → bool
isSignalConnected(self, QMetaMethod) → bool
isVisible(self) → bool
isVisibleTo(self, QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
keyPressEvent(self, QKeyEvent)
keyReleaseEvent(self, QKeyEvent)
keyboardGrabber() → QWidget
killTimer(self, int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, QEvent)
lineWidth(self) → int
locale(self) → QLocale
logicalDpiX(self) → int
logicalDpiY(self) → int
lower(self)
mapFrom(self, QWidget, QPoint) → QPoint
mapFromGlobal(self, QPoint) → QPoint
mapFromParent(self, QPoint) → QPoint
mapTo(self, QWidget, QPoint) → QPoint
mapToGlobal(self, QPoint) → QPoint
mapToParent(self, QPoint) → QPoint
mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, QPaintDevice.PaintDeviceMetric) → int
midLineWidth(self) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
mouseDoubleClickEvent(self, QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, QMouseEvent)
mousePressEvent(self, QMouseEvent)
mouseReleaseEvent(self, QMouseEvent)
move(self, QPoint)

move(self, int, int)

moveEvent(self, QMoveEvent)
moveToThread(self, QThread)
nativeEvent(self, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

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

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

raise_(self)
receivers(self, PYQT_SIGNAL) → int
rect(self) → QRect
releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, int)
removeAction(self, QAction)
removeEventFilter(self, QObject)
render(self, QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))

render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))

repaint(self)

repaint(self, int, int, int, int) repaint(self, QRect) repaint(self, QRegion)

resize(self, QSize)

resize(self, int, int)

resizeEvent(self, QResizeEvent)
restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool
saveGeometry(self) → QByteArray
scroll(self, int, int)

scroll(self, int, int, QRect)

sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, bool)
setAccessibleDescription(self, str)
setAccessibleName(self, str)
setAttribute(self, Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, bool)
setBackgroundRole(self, QPalette.ColorRole)
setBaseSize(self, int, int)

setBaseSize(self, QSize)

setContentsMargins(self, int, int, int, int)

setContentsMargins(self, QMargins)

setContextMenuPolicy(self, Qt.ContextMenuPolicy)
setCursor(self, Union[QCursor, Qt.CursorShape])
setDisabled(self, bool)
setEnabled(self, bool)
setFixedHeight(self, int)
setFixedSize(self, QSize)

setFixedSize(self, int, int)

setFixedWidth(self, int)
setFocus(self)

setFocus(self, Qt.FocusReason)

setFocusPolicy(self, Qt.FocusPolicy)
setFocusProxy(self, QWidget)
setFont(self, QFont)
setForegroundRole(self, QPalette.ColorRole)
setFrameRect(self, QRect)
setFrameShadow(self, QFrame.Shadow)
setFrameShape(self, QFrame.Shape)
setFrameStyle(self, int)
setGeometry(self, QRect)

setGeometry(self, int, int, int, int)

setGraphicsEffect(self, QGraphicsEffect)
setHidden(self, bool)
setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])
setLayout(self, QLayout)
setLayoutDirection(self, Qt.LayoutDirection)
setLineWidth(self, int)
setLocale(self, QLocale)
setMask(self, QBitmap)

setMask(self, QRegion)

setMaximumHeight(self, int)
setMaximumSize(self, int, int)

setMaximumSize(self, QSize)

setMaximumWidth(self, int)
setMidLineWidth(self, int)
setMinimumHeight(self, int)
setMinimumSize(self, int, int)

setMinimumSize(self, QSize)

setMinimumWidth(self, int)
setMouseTracking(self, bool)
setObjectName(self, str)
setPalette(self, QPalette)
setParent(self, QWidget)

setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType])

setProperty(self, str, Any) → bool
setShortcutAutoRepeat(self, int, enabled: bool = True)
setShortcutEnabled(self, int, enabled: bool = True)
setSizeIncrement(self, int, int)

setSizeIncrement(self, QSize)

setSizePolicy(self, QSizePolicy)

setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy)

setStatusTip(self, str)
setStyle(self, QStyle)
setStyleSheet(self, str)
setTabOrder(QWidget, QWidget)
setTabletTracking(self, bool)
setToolTip(self, str)
setToolTipDuration(self, int)
setUpdatesEnabled(self, bool)
setVisible(self, bool)
setWhatsThis(self, str)
setWindowFilePath(self, str)
setWindowFlag(self, Qt.WindowType, on: bool = True)
setWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])
setWindowIcon(self, QIcon)
setWindowIconText(self, str)
setWindowModality(self, Qt.WindowModality)
setWindowModified(self, bool)
setWindowOpacity(self, float)
setWindowRole(self, str)
setWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
setWindowTitle(self, str)
sharedPainter(self) → QPainter
show(self)
showEvent(self, QShowEvent)
showFullScreen(self)
showMaximized(self)
showMinimized(self)
showNormal(self)
signalsBlocked(self) → bool
size(self) → QSize
sizeHint(self) → QSize
sizeIncrement(self) → QSize
sizePolicy(self) → QSizePolicy
stackUnder(self, QWidget)
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
statusTip(self) → str
style(self) → QStyle
styleSheet(self) → str
tabletEvent(self, QTabletEvent)
testAttribute(self, Qt.WidgetAttribute) → bool
thread(self) → QThread
timerEvent(self, QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(self, str, disambiguation: str = None, n: int = -1) → str
underMouse(self) → bool
ungrabGesture(self, Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)

update(self, QRect) update(self, QRegion) update(self, int, int, int, int)

updateGeometry(self)
updateMicroFocus(self)
updatesEnabled(self) → bool
visibleRegion(self) → QRegion
whatsThis(self) → str
wheelEvent(self, QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowFlags
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, str) [signal]

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

windowTitleChanged(self, str) [signal]

windowType(self) → Qt.WindowType
x(self) → int
y(self) → int
schrodinger.ui.qt.config_dialog.get_num_nprocs(cd_params)

Get the number of processes requested by the user

Parameters:cd_params (schrodinger.ui.qt.appframework.StartDialogParams) – The current Config Dialog settings
Return type:int or None
Returns:The number of CPUs requested by the user if they are using the CPUs option, or the number of simultaneous subjobs if they are using the MP subjobs option. Or None if neither of these are specified.
class schrodinger.ui.qt.config_dialog.HostProduct(host_map, host_menu, cpus_sb, cpus_units_label, gpus_mode, num_processor_widget)

Bases: object

A collection of widgets (e.g. host menu, processor spinbox, labels) for a host product and functionality to update the widgets as needed.

__init__(host_map, host_menu, cpus_sb, cpus_units_label, gpus_mode, num_processor_widget)
Parameters:
  • host_map (dict(str: Host)) – Map of host labels to Host objects for this host product
  • host_menu (QtWidgets.QComboBox) – Host menu for this host product
  • cpus_sb (NumProcsSpinBox or None) – CPU entry field for this host product
  • cpus_units_label (QtWidgets.QLabel or None) – Processors units label for this host product
  • gpus_mode (int) – GPU mode for this host product. Should be one of GpuHostProductMode.NoGpus, GpuHostProductMode.Single, GpuHostProductMode.Multiple or GpuHostProductMode.SingleOnlyGpu
  • num_processor_widget (QtWidgets.QWidget or None) – Widget containing number of processor selection components
class schrodinger.ui.qt.config_dialog.NumProcsSpinBox(parent=None, min=1, max=10000, default=1)

Bases: PyQt5.QtWidgets.QSpinBox

Sping box specifically for setting number of processors.

__init__(parent=None, min=1, max=10000, default=1)
Parameters:
  • parent (QtWidgets.QWidget) – Parent widget
  • min (int) – Min value for this spinbox
  • max (int) – Max value for this spinbox
  • default (int) – Default value for this spinbox
AdaptiveDecimalStepType = 1
class ButtonSymbols

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1455c48>
CorrectToNearestValue = 1
CorrectToPreviousValue = 0
class CorrectionMode

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1455ff8>
DefaultStepType = 0
DrawChildren = 2
DrawWindowBackground = 1
IgnoreMask = 4
NoButtons = 2
class PaintDeviceMetric

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1409398>
PdmDepth = 6
PdmDevicePixelRatio = 11
PdmDevicePixelRatioScaled = 12
PdmDpiX = 7
PdmDpiY = 8
PdmHeight = 2
PdmHeightMM = 4
PdmNumColors = 5
PdmPhysicalDpiX = 9
PdmPhysicalDpiY = 10
PdmWidth = 1
PdmWidthMM = 3
PlusMinus = 1
class RenderFlag

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1750518>
class RenderFlags

Bases: sip.simplewrapper

QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)

__init__

Initialize self. See help(type(self)) for accurate signature.

StepDownEnabled = 2
class StepEnabled

Bases: sip.simplewrapper

QAbstractSpinBox.StepEnabled(Union[QAbstractSpinBox.StepEnabled, QAbstractSpinBox.StepEnabledFlag]) QAbstractSpinBox.StepEnabled(QAbstractSpinBox.StepEnabled)

__init__

Initialize self. See help(type(self)) for accurate signature.

class StepEnabledFlag

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1456bd8>
StepNone = 0
class StepType

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1456f88>
StepUpEnabled = 1
UpDownArrows = 0
acceptDrops(self) → bool
accessibleDescription(self) → str
accessibleName(self) → str
actionEvent(self, QActionEvent)
actions(self) → List[QAction]
activateWindow(self)
addAction(self, QAction)
addActions(self, Iterable[QAction])
adjustSize(self)
alignment(self) → Qt.Alignment
autoFillBackground(self) → bool
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, bool) → bool
buttonSymbols(self) → QAbstractSpinBox.ButtonSymbols
changeEvent(self, QEvent)
childAt(self, QPoint) → QWidget

childAt(self, int, int) -> QWidget

childEvent(self, QChildEvent)
children(self) → List[QObject]
childrenRect(self) → QRect
childrenRegion(self) → QRegion
cleanText(self) → str
clear(self)
clearFocus(self)
clearMask(self)
close(self) → bool
closeEvent(self, QCloseEvent)
colorCount(self) → int
connectNotify(self, QMetaMethod)
contentsMargins(self) → QMargins
contentsRect(self) → QRect
contextMenuEvent(self, QContextMenuEvent)
contextMenuPolicy(self) → Qt.ContextMenuPolicy
correctionMode(self) → QAbstractSpinBox.CorrectionMode
create(self, window: sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, QPoint) [signal]

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

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

devType(self) → int
devicePixelRatio(self) → int
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(self)
disconnectNotify(self, QMetaMethod)
displayIntegerBase(self) → int
dragEnterEvent(self, QDragEnterEvent)
dragLeaveEvent(self, QDragLeaveEvent)
dragMoveEvent(self, QDragMoveEvent)
dropEvent(self, QDropEvent)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
editingFinished

editingFinished(self) [signal]

effectiveWinId(self) → sip.voidptr
ensurePolished(self)
enterEvent(self, QEvent)
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
find(sip.voidptr) → QWidget
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject

findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject

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

findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]

fixup(self, str) → str
focusInEvent(self, QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, bool) → bool
focusOutEvent(self, QFocusEvent)
focusPolicy(self) → Qt.FocusPolicy
focusPreviousChild(self) → bool
focusProxy(self) → QWidget
focusWidget(self) → QWidget
font(self) → QFont
fontInfo(self) → QFontInfo
fontMetrics(self) → QFontMetrics
foregroundRole(self) → QPalette.ColorRole
frameGeometry(self) → QRect
frameSize(self) → QSize
geometry(self) → QRect
getContentsMargins(self) → Tuple[int, int, int, int]
grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(-1, -1))) → QPixmap
grabGesture(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)

grabMouse(self, Union[QCursor, Qt.CursorShape])

grabShortcut(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int
graphicsEffect(self) → QGraphicsEffect
graphicsProxyWidget(self) → QGraphicsProxyWidget
hasAcceptableInput(self) → bool
hasFocus(self) → bool
hasFrame(self) → bool
hasHeightForWidth(self) → bool
hasMouseTracking(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, int) → int
heightMM(self) → int
hide(self)
hideEvent(self, QHideEvent)
inherits(self, str) → bool
initPainter(self, QPainter)
initStyleOption(self, QStyleOptionSpinBox)
inputMethodEvent(self, QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHints
inputMethodQuery(self, Qt.InputMethodQuery) → Any
insertAction(self, QAction, QAction)
insertActions(self, QAction, Iterable[QAction])
installEventFilter(self, QObject)
interpretText(self)
isAccelerated(self) → bool
isActiveWindow(self) → bool
isAncestorOf(self, QWidget) → bool
isEnabled(self) → bool
isEnabledTo(self, QWidget) → bool
isFullScreen(self) → bool
isGroupSeparatorShown(self) → bool
isHidden(self) → bool
isLeftToRight(self) → bool
isMaximized(self) → bool
isMinimized(self) → bool
isModal(self) → bool
isReadOnly(self) → bool
isRightToLeft(self) → bool
isSignalConnected(self, QMetaMethod) → bool
isVisible(self) → bool
isVisibleTo(self, QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
keyPressEvent(self, QKeyEvent)
keyReleaseEvent(self, QKeyEvent)
keyboardGrabber() → QWidget
keyboardTracking(self) → bool
killTimer(self, int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, QEvent)
lineEdit(self) → QLineEdit
locale(self) → QLocale
logicalDpiX(self) → int
logicalDpiY(self) → int
lower(self)
mapFrom(self, QWidget, QPoint) → QPoint
mapFromGlobal(self, QPoint) → QPoint
mapFromParent(self, QPoint) → QPoint
mapTo(self, QWidget, QPoint) → QPoint
mapToGlobal(self, QPoint) → QPoint
mapToParent(self, QPoint) → QPoint
mask(self) → QRegion
maximum(self) → int
maximumHeight(self) → int
maximumSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, QPaintDevice.PaintDeviceMetric) → int
minimum(self) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
mouseDoubleClickEvent(self, QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, QMouseEvent)
mousePressEvent(self, QMouseEvent)
mouseReleaseEvent(self, QMouseEvent)
move(self, QPoint)

move(self, int, int)

moveEvent(self, QMoveEvent)
moveToThread(self, QThread)
nativeEvent(self, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

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

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

raise_(self)
receivers(self, PYQT_SIGNAL) → int
rect(self) → QRect
releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, int)
removeAction(self, QAction)
removeEventFilter(self, QObject)
render(self, QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))

render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))

repaint(self)

repaint(self, int, int, int, int) repaint(self, QRect) repaint(self, QRegion)

resize(self, QSize)

resize(self, int, int)

resizeEvent(self, QResizeEvent)
restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool
saveGeometry(self) → QByteArray
scroll(self, int, int)

scroll(self, int, int, QRect)

selectAll(self)
sender(self) → QObject
senderSignalIndex(self) → int
setAccelerated(self, bool)
setAcceptDrops(self, bool)
setAccessibleDescription(self, str)
setAccessibleName(self, str)
setAlignment(self, Union[Qt.Alignment, Qt.AlignmentFlag])
setAttribute(self, Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, bool)
setBackgroundRole(self, QPalette.ColorRole)
setBaseSize(self, int, int)

setBaseSize(self, QSize)

setButtonSymbols(self, QAbstractSpinBox.ButtonSymbols)
setContentsMargins(self, int, int, int, int)

setContentsMargins(self, QMargins)

setContextMenuPolicy(self, Qt.ContextMenuPolicy)
setCorrectionMode(self, QAbstractSpinBox.CorrectionMode)
setCursor(self, Union[QCursor, Qt.CursorShape])
setDisabled(self, bool)
setDisplayIntegerBase(self, int)
setEnabled(self, bool)
setFixedHeight(self, int)
setFixedSize(self, QSize)

setFixedSize(self, int, int)

setFixedWidth(self, int)
setFocus(self)

setFocus(self, Qt.FocusReason)

setFocusPolicy(self, Qt.FocusPolicy)
setFocusProxy(self, QWidget)
setFont(self, QFont)
setForegroundRole(self, QPalette.ColorRole)
setFrame(self, bool)
setGeometry(self, QRect)

setGeometry(self, int, int, int, int)

setGraphicsEffect(self, QGraphicsEffect)
setGroupSeparatorShown(self, bool)
setHidden(self, bool)
setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])
setKeyboardTracking(self, bool)
setLayout(self, QLayout)
setLayoutDirection(self, Qt.LayoutDirection)
setLineEdit(self, QLineEdit)
setLocale(self, QLocale)
setMask(self, QBitmap)

setMask(self, QRegion)

setMaximum(self, int)
setMaximumHeight(self, int)
setMaximumSize(self, int, int)

setMaximumSize(self, QSize)

setMaximumWidth(self, int)
setMinimum(self, int)
setMinimumHeight(self, int)
setMinimumSize(self, int, int)

setMinimumSize(self, QSize)

setMinimumWidth(self, int)
setMouseTracking(self, bool)
setObjectName(self, str)
setPalette(self, QPalette)
setParent(self, QWidget)

setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType])

setPrefix(self, str)
setProperty(self, str, Any) → bool
setRange(self, int, int)
setReadOnly(self, bool)
setShortcutAutoRepeat(self, int, enabled: bool = True)
setShortcutEnabled(self, int, enabled: bool = True)
setSingleStep(self, int)
setSizeIncrement(self, int, int)

setSizeIncrement(self, QSize)

setSizePolicy(self, QSizePolicy)

setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy)

setSpecialValueText(self, str)
setStatusTip(self, str)
setStepType(self, QAbstractSpinBox.StepType)
setStyle(self, QStyle)
setStyleSheet(self, str)
setSuffix(self, str)
setTabOrder(QWidget, QWidget)
setTabletTracking(self, bool)
setToolTip(self, str)
setToolTipDuration(self, int)
setUpdatesEnabled(self, bool)
setValue(self, int)
setVisible(self, bool)
setWhatsThis(self, str)
setWindowFilePath(self, str)
setWindowFlag(self, Qt.WindowType, on: bool = True)
setWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])
setWindowIcon(self, QIcon)
setWindowIconText(self, str)
setWindowModality(self, Qt.WindowModality)
setWindowModified(self, bool)
setWindowOpacity(self, float)
setWindowRole(self, str)
setWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
setWindowTitle(self, str)
setWrapping(self, bool)
sharedPainter(self) → QPainter
show(self)
showEvent(self, QShowEvent)
showFullScreen(self)
showMaximized(self)
showMinimized(self)
showNormal(self)
signalsBlocked(self) → bool
singleStep(self) → int
size(self) → QSize
sizeHint(self) → QSize
sizeIncrement(self) → QSize
sizePolicy(self) → QSizePolicy
specialValueText(self) → str
stackUnder(self, QWidget)
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
statusTip(self) → str
stepBy(self, int)
stepDown(self)
stepEnabled(self) → QAbstractSpinBox.StepEnabled
stepType(self) → QAbstractSpinBox.StepType
stepUp(self)
style(self) → QStyle
styleSheet(self) → str
suffix(self) → str
tabletEvent(self, QTabletEvent)
testAttribute(self, Qt.WidgetAttribute) → bool
text(self) → str
textFromValue(self, int) → str
thread(self) → QThread
timerEvent(self, QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(self, str, disambiguation: str = None, n: int = -1) → str
underMouse(self) → bool
ungrabGesture(self, Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)

update(self, QRect) update(self, QRegion) update(self, int, int, int, int)

updateGeometry(self)
updateMicroFocus(self)
updatesEnabled(self) → bool
validate(self, str, int) → Tuple[QValidator.State, str, int]
value(self) → int
valueChanged

valueChanged(self, int) [signal] valueChanged(self, str) [signal]

valueFromText(self, str) → int
visibleRegion(self) → QRegion
whatsThis(self) → str
wheelEvent(self, QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowFlags
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, str) [signal]

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

windowTitleChanged(self, str) [signal]

windowType(self) → Qt.WindowType
wrapping(self) → bool
x(self) → int
y(self) → int
class schrodinger.ui.qt.config_dialog.ConfigDialog(parent, title='', jobname='', checkcommand=None, help_topic='MM_TOPIC_JOB_START_DIALOG', **kw)

Bases: object

Toplevel Qt widget that mimics the Maestro Start dialog. Configuration options set via constructor keywords are…

title - Title for the dialog window. Default is
‘<parent_title> - Start’.

command - Function to call (not used?).

jobname - Initial string value for the job name entry field.
Default is ‘’.
incorporation - Display a disposition selector for Maestro
incorporation. Maestro only. Default is True.

allow_replace - Allow the ‘Replace existing entries’ incorporation option.

default_disp - The default disposition, if ‘incorporation’ is True.
Must be DISP_APPEND, DISP_APPENDINPLACE, DISP_REPLACE, or DISP_IGNORE. Default is DISP_IGNORE.
disp_flags - Additional Maestro job disposition flags.
Currently, the only available flag is DISP_FLAG_FIT. The flags should be separated using DISP_FLAG_SEPARATOR. Default value is empty string (no flags).
host - Display a pull-down menu (or a table) for selecting
the host for the job. Default is True.
multihost - Whether to display a host table that supports multiple
hosts. By default, a pull-down menu is displayed.
host_products Products that will get their own host menu and #cpus
box. Not compatible with multihost or cpus3. Takes a list of strings. Default is one host menu.
gpu_host_products Optional map with keys being keys from host_products
that should allow GPU hosts and values being what GpuHostProductMode should be set.
jobentry - Display widgets for setting the job name.
Default is True.
cpus - Display additional options for distributed jobs,
including the number of CPUs. Default is False. NOTE: This option is not available with multihost.
cpus3 - Display additional options for Desmond distributed jobs
which includes 3 CPUS values: X, Y, and Z. Default is False. NOTE: This option is not available with multihost.
njobs - Display widgets for running the job as a specified
number of subjobs. Default is False.
adjust - Whether to display the “Adjust” checkbox. Default is
False. Requires <njobs> to be True.
tmpdir - Show the tmpdir for the currently selected host.
Default is False.
save_host - Used the last saved host as the default host. Save any
new host chosen for the next start dialog from this panel.
open_mp - True/False. Allow the user to specify either the total
number of cpus or the number of Open MP threads and subjobs. Default is False. open_mp is mutually exclusive with cpus as well as cpus3. open_mp is incompatible with host_products.
set_resources - True/False. Allow the user to set or select queue
resources from the Python start panel

Job parameters passed out in the StartDialogParams object upon the dialog deactivating with via a “Start” (not “Cancel”) action…

proj - The Project from which the job is launched (required for
incorporation). “” if not in Maestro.
disp - Maestro disposition. ‘append’ or ‘ignore’ if
‘incorporation’ is True. “” if not in Maestro. Undefined if in Maestro but ‘incorporation’ is False.

jobname - Job name. Undefined if ‘jobentry’ is False.

host - Main host. Undefined if ‘host’ option is False.
NOTE: Hosts string (with ncpus) if multihost is set.

njobs - Number of subjobs. Undefined if ‘njobs’ option is False.

adjust - Whether the user checked the “Adjust” checkbox.

cpus - Number of CPUs. Undefined if ‘cpus’ option is False. Set
to ‘njobs’ if the “Distribute subjobs over maximum…” is chosen, otherwise set to the number of specified CPUs. NOTE: not available with multihost setting.
cpus3 - Number of CPUs as 3 numbers: X, Y, & Z. Used by the Desmond
panels. Undefined if ‘cpus3’ option is False.
openmpcpus - Number of total Open MP CPUs if the open_mp option was
used. If the open_mp options was used and threads is 0, then openmpcpus is just the number of CPUs. None if the open_mp option was not used.
threads - Number of threads if the open_mp option was used and the user
chose to specify the number of Open MP threads and subjobs. If the open_mp option was used but the user only specifies CPUS, threads is 0. None if the open_mp option was not used.
openmpsubjobs - Maximum number of subjobs that may be run
simultaneously, if the open_mp option was used.

queue_resources - Queue resource options

Please see the DialogParameters class below for usage instructions.

START = 'Run'
SAVE = 'OK'
WRITE = 'Write'
CANCEL = 'Cancel'
HELP = 'Help'
CPU_UNIT_LABEL = 'processors'
GPU_UNIT_LABEL = 'GPUs'
HOST_LABEL_TEXT = 'Host:'
__init__(parent, title='', jobname='', checkcommand=None, help_topic='MM_TOPIC_JOB_START_DIALOG', **kw)

See class docstring. Raises an Exception if the disposition specified as the default is not recognized.

If pre_close_command is specified, it will be run when the user presses the Start button. The dialog is only closed if that function returns 0.

setUpButtonBox(can_start=True)

Set up the button box items for the dialog.

Parameters:can_start – If True, add a Start button. Otherwise add a Write button.
showHelp()
validateNumProcs(silent=False)

Checks that the number of processors requested is reasonable. Here the validation is conditional on the ‘cpus’ option. In derived classes this may not be valid (i.e. the validation should be run regardless of the ncpus options.

Parameters:
  • menu (QComboBox) – The menu specifying the host selection to be validated
  • numfield (QLineEdit) – The widget specifying the requested # of processors
  • silent (bool) – suppresses warning dialogs when set to True
validateNumCpus(host, editfield, silent=False)

Validate number of CPUs :type host: Host :param host: the host on which the CPUs reside :type editfield: QWidget :param editfield: widget specifying the number of CPUs :type silent: bool :param silent: suppresses warning dialogs when set to True

validateNumGpus(host, editfield, silent=False)

Validate number of GPUs :type host: Host :param host: the host on which the GPUs reside :type editfield: QWidget :param editfield: widget specifying the number of GPUs :type silent: bool :param silent: suppresses warning dialogs when set to True

validateNumOpenMP(host, silent=False)

Checks to make sure the number of requested processors and threads is consistent with what we know of the host capabilities.

Parameters:
  • host (Host) – The host on which the CPUs reside
  • silent (bool) – suppresses warning dialogs when set to True
Return type:

bool
Returns:

True if number of processors & threads is allowed, False if not
validate()

Checks the panel to make sure settings are valid. Return False if any validation test fails, otherwise return True.

validateAndAccept()

Validate the settings, and if no errors are found, close the dialog.

savePressed()

Slot for Save button

writePressed()

Slot for Write button

startPressed()

Slot for OK and Run button

setupHostLayout()

Setup the host layout, including hostlist/table and numbers of cpus (including cpus3).

Returns:Whether the dialog should add a start button.
Return type:bool
getHostPref()

Get the stored host preference if available

Returns:Stored host preference if available or None
Return type:str or None
updateCPULimits()

This method is called whenever host selection is changed. It updates maximum number of allowed CPUs.

updateOpenMPInfo()

Show/Hide the proper frames and update the processors label

getTotalOpenMPCPUs()

Compute the total number of Open MP CPUs to use based on the number of threads and subjobs the user entered

Return type:int
Returns:total number of CPUs
updateQueueResources()

This updates the queue resources display when the host has changed.

updateOpenMPLabel()

Update the Open MP label with the current number of processors requested

setupHostCombo(combo, use_host=None, hosts=None)
cpus3Edited(ignored=None)
activate()

Display the dialog and return the dialog parameters as as StartDialogParam object. If the dialog was cancelled then return None and restore the prior state.

getSettings(extra_kws=None)
applySettings(settings)

Set dialog state using previously-saved parameters

Parameters:settings (StartDialogParams) – saved dialog settings
warning(text)

Display a warning window with the specified text.

getHosts(ncpus=True, excludeGPGPUs=True)

Returns list of host entries from appropriate schrodinger.hosts file, with parenthetical entry of the number of available processors (if ‘ncpus’ is True). If excludeGPGPUs is True, hosts with GPGPUs will be excluded from the list

currentHost(menu=None, hosts=None)

Returns the host currently selected in the menu parameter. If none is given, use self.host_menu. Validates that the menu item matches the corresponding self.hosts member variable. currentHost() can be overridden to use a different menu by default.

Parameters:
  • menu (QtWidgets.QComboBox) – Menu to check for current host
  • hosts (list) – List of hosts if not using self.hosts attribute
getHostType()
isGPUHost()
isCPUHost()
class schrodinger.ui.qt.config_dialog.GPUConfigDialog(parent, title='', jobname='', checkcommand=None, help_topic='MM_TOPIC_JOB_START_DIALOG', **kw)

Bases: schrodinger.ui.qt.config_dialog.ConfigDialog

Subclass of the ConfigDialog that shows only GPU hosts.

HOST_LABEL_TEXT = 'GPU host:'
getHosts()

Return a list of GPU hosts

Returns:List of GPU hosts
Return type:list
CANCEL = 'Cancel'
CPU_UNIT_LABEL = 'processors'
GPU_UNIT_LABEL = 'GPUs'
HELP = 'Help'
SAVE = 'OK'
START = 'Run'
WRITE = 'Write'
__init__(parent, title='', jobname='', checkcommand=None, help_topic='MM_TOPIC_JOB_START_DIALOG', **kw)

See class docstring. Raises an Exception if the disposition specified as the default is not recognized.

If pre_close_command is specified, it will be run when the user presses the Start button. The dialog is only closed if that function returns 0.

activate()

Display the dialog and return the dialog parameters as as StartDialogParam object. If the dialog was cancelled then return None and restore the prior state.

applySettings(settings)

Set dialog state using previously-saved parameters

Parameters:settings (StartDialogParams) – saved dialog settings
cpus3Edited(ignored=None)
currentHost(menu=None, hosts=None)

Returns the host currently selected in the menu parameter. If none is given, use self.host_menu. Validates that the menu item matches the corresponding self.hosts member variable. currentHost() can be overridden to use a different menu by default.

Parameters:
  • menu (QtWidgets.QComboBox) – Menu to check for current host
  • hosts (list) – List of hosts if not using self.hosts attribute
getHostPref()

Get the stored host preference if available

Returns:Stored host preference if available or None
Return type:str or None
getHostType()
getSettings(extra_kws=None)
getTotalOpenMPCPUs()

Compute the total number of Open MP CPUs to use based on the number of threads and subjobs the user entered

Return type:int
Returns:total number of CPUs
isCPUHost()
isGPUHost()
savePressed()

Slot for Save button

setUpButtonBox(can_start=True)

Set up the button box items for the dialog.

Parameters:can_start – If True, add a Start button. Otherwise add a Write button.
setupHostCombo(combo, use_host=None, hosts=None)
setupHostLayout()

Setup the host layout, including hostlist/table and numbers of cpus (including cpus3).

Returns:Whether the dialog should add a start button.
Return type:bool
showHelp()
startPressed()

Slot for OK and Run button

updateCPULimits()

This method is called whenever host selection is changed. It updates maximum number of allowed CPUs.

updateOpenMPInfo()

Show/Hide the proper frames and update the processors label

updateOpenMPLabel()

Update the Open MP label with the current number of processors requested

updateQueueResources()

This updates the queue resources display when the host has changed.

validate()

Checks the panel to make sure settings are valid. Return False if any validation test fails, otherwise return True.

validateAndAccept()

Validate the settings, and if no errors are found, close the dialog.

validateNumCpus(host, editfield, silent=False)

Validate number of CPUs :type host: Host :param host: the host on which the CPUs reside :type editfield: QWidget :param editfield: widget specifying the number of CPUs :type silent: bool :param silent: suppresses warning dialogs when set to True

validateNumGpus(host, editfield, silent=False)

Validate number of GPUs :type host: Host :param host: the host on which the GPUs reside :type editfield: QWidget :param editfield: widget specifying the number of GPUs :type silent: bool :param silent: suppresses warning dialogs when set to True

validateNumOpenMP(host, silent=False)

Checks to make sure the number of requested processors and threads is consistent with what we know of the host capabilities.

Parameters:
  • host (Host) – The host on which the CPUs reside
  • silent (bool) – suppresses warning dialogs when set to True
Return type:

bool
Returns:

True if number of processors & threads is allowed, False if not
validateNumProcs(silent=False)

Checks that the number of processors requested is reasonable. Here the validation is conditional on the ‘cpus’ option. In derived classes this may not be valid (i.e. the validation should be run regardless of the ncpus options.

Parameters:
  • menu (QComboBox) – The menu specifying the host selection to be validated
  • numfield (QLineEdit) – The widget specifying the requested # of processors
  • silent (bool) – suppresses warning dialogs when set to True
warning(text)

Display a warning window with the specified text.

writePressed()

Slot for Write button

class schrodinger.ui.qt.config_dialog.DummyGpuHost

Bases: schrodinger.tasks.hosts.Host

A dummy host to allow users to write job files to launch elsewhere when a GPU host is not available in their hosts file.

__init__()

Initialize self. See help(type(self)) for accurate signature.

CPUTYPE = 'cpu'
GPUTYPE = 'gpu'
autoSetGpuList()
classmethod fromJobControlHost(jchost, ncpus)
classmethod fromJson(json_obj)

A factory method which constructs a new object from a given dict loaded from a json string or file.

Parameters:json_obj (dict) – A json-loaded dictionary to create an object from.
Returns:An instance of this class.

:rtype : cls

classmethod fromJsonImplementation(json_dict)

Abstract method that must be defined by all derived classes. Takes in a dictionary and constructs an instance of the derived class.

Parameters:json_dict (dict) – A dictionary loaded from a JSON string or file.
Returns:An instance of the derived class.

:rtype : cls

getHost()

Return the name of the host, which defaults to ‘name’ if a separate ‘host’ attribute wasn’t specified.

get_version()

Method to get the version of a particular object. Defaults to the current version of mmshare. This class can be overridden for custom versioning behavior.

host

Return the name of the host, which defaults to ‘name’ if a separate ‘host’ attribute wasn’t specified.

hostType()

Used to determine what type of host this is.

isQueue()

Check to see whether the host represents a batch queue. Returns True if the host is a traditional queue or a grid host.

label()

Returns the string to show in controls, etc.

maxNum()

Returns the number of processors for the type of host - for GPU host, return the number of GPUs, for non-GPU hosts, return the number of CPUs.

setGpuList(gpulist)
setHost(host)

Store host as _host to allow us to use a property for the ‘host’ attr.

toJson(_mark_version=True)

Create and returns a data structure made up of jsonable items.

Return type:An instance of one the classes from NATIVE_JSON_DATATYPES
toJsonImplementation()

Abstract method that must be defined by all derived classes. Converts an instance of the derived class into a jsonifiable object.

Returns:A dict made up of JSON native datatypes or Jsonable objects. See the link below for a table of such types. https://docs.python.org/2/library/json.html#encoders-and-decoders
to_hostentry()

Return a string representation of the Host object suitable for including in a hosts file.

units()

Return the unit string for the type of processors provided by this host.

schrodinger.ui.qt.config_dialog.get_hosts(ncpus=True, excludeGPGPUs=True)

Return a list of Host objects for use in config dialogs. Note these are a subclass of jobcontrol.Host which has additional features for text labels and accounting for GPUs. If schrodinger.hosts file is missing, only localhost will be returned. If it is unreadable, then an error message will be shown in a dialog box, and an empty list will be returned.

Parameters:
  • ncpus (bool) – whether host text labels should include number of processors
  • excludeGPGPUs (bool) – whether to exclude GPU hosts from the list
Returns:

a list of Host objects
Return type:

list
schrodinger.ui.qt.config_dialog.gpu_hosts_available()

Determines whether any GPU host is available.

Returns:returns True if any GPU host is available and False otherwise.
Return type:bool
schrodinger.ui.qt.config_dialog.get_host_from_hostname(hostname)
Parameters:hostname (str) – The name of the desired host object.
Returns:The host object associated with a host name.

:rtype : Host

class schrodinger.ui.qt.config_dialog.StartDialogParams

Bases: object

A collection of parameter values from the StartDialog class.

__init__()

Initialize. The defaults are used for options that were not requested njobs is not currently used as there is no uniform way to set it

update(params)

Update the param’s attributes based on the given dictionary.

commandLineArgs(include_njobs=True, add_cpus=True)

Convert this set of start dialog parameters into the canonical jobcontrol command line argument list.

Return type:list
Returns:list of job control command line flags
formJaguarCPUFlags()

Determine the command line flags as requested by the user if openmp=True was used in creating the dialog

Return type:list
Returns:The requested command line flags
commandLineOptions()

Convert this set of start dialog parameters into the canonical jobcontrol command line options. NOTE: Does NOT export NJOBS for backward compatability.

schrodinger.ui.qt.config_dialog.form_jaguar_cpu_flags(host, cpus, subjobs, threads, use_parallel_flag=True)

Determine the command line flags for an Open MP job.

Parameters:
  • host (str) – The host name
  • cpus (int) – The number of CPUs requested. If subjobs and threads are non-zero, this value will be equal to subjobs * threads and can be ignored.
  • subjobs (int) – The number of subjobs requested. Will be 0 if the user only specified the total number of CPUs.
  • threads (int) – The number of threads requested. Will be 0 if the user only specified the total number of CPUs.
  • use_parallel_flag (bool) – Whether requesting CPUs > 1 without specifying threads > 1 should be represented by the use of the -PARALLEL X flag (True) or -HOST host:X (False). -PARALLEL is a Jaguar flag and may not be appropriate for other programs.
Returns:

The appropriate command line flags.
Return type:

list
class schrodinger.ui.qt.config_dialog.StartDialog(*args, **kwargs)

Bases: schrodinger.ui.qt.config_dialog.ConfigDialog

START = 'Start'
__init__(*args, **kwargs)

See class docstring. Raises an Exception if the disposition specified as the default is not recognized.

If pre_close_command is specified, it will be run when the user presses the Start button. The dialog is only closed if that function returns 0.

CANCEL = 'Cancel'
CPU_UNIT_LABEL = 'processors'
GPU_UNIT_LABEL = 'GPUs'
HELP = 'Help'
HOST_LABEL_TEXT = 'Host:'
SAVE = 'OK'
WRITE = 'Write'
activate()

Display the dialog and return the dialog parameters as as StartDialogParam object. If the dialog was cancelled then return None and restore the prior state.

applySettings(settings)

Set dialog state using previously-saved parameters

Parameters:settings (StartDialogParams) – saved dialog settings
cpus3Edited(ignored=None)
currentHost(menu=None, hosts=None)

Returns the host currently selected in the menu parameter. If none is given, use self.host_menu. Validates that the menu item matches the corresponding self.hosts member variable. currentHost() can be overridden to use a different menu by default.

Parameters:
  • menu (QtWidgets.QComboBox) – Menu to check for current host
  • hosts (list) – List of hosts if not using self.hosts attribute
getHostPref()

Get the stored host preference if available

Returns:Stored host preference if available or None
Return type:str or None
getHostType()
getHosts(ncpus=True, excludeGPGPUs=True)

Returns list of host entries from appropriate schrodinger.hosts file, with parenthetical entry of the number of available processors (if ‘ncpus’ is True). If excludeGPGPUs is True, hosts with GPGPUs will be excluded from the list

getSettings(extra_kws=None)
getTotalOpenMPCPUs()

Compute the total number of Open MP CPUs to use based on the number of threads and subjobs the user entered

Return type:int
Returns:total number of CPUs
isCPUHost()
isGPUHost()
savePressed()

Slot for Save button

setUpButtonBox(can_start=True)

Set up the button box items for the dialog.

Parameters:can_start – If True, add a Start button. Otherwise add a Write button.
setupHostCombo(combo, use_host=None, hosts=None)
setupHostLayout()

Setup the host layout, including hostlist/table and numbers of cpus (including cpus3).

Returns:Whether the dialog should add a start button.
Return type:bool
showHelp()
startPressed()

Slot for OK and Run button

updateCPULimits()

This method is called whenever host selection is changed. It updates maximum number of allowed CPUs.

updateOpenMPInfo()

Show/Hide the proper frames and update the processors label

updateOpenMPLabel()

Update the Open MP label with the current number of processors requested

updateQueueResources()

This updates the queue resources display when the host has changed.

validate()

Checks the panel to make sure settings are valid. Return False if any validation test fails, otherwise return True.

validateAndAccept()

Validate the settings, and if no errors are found, close the dialog.

validateNumCpus(host, editfield, silent=False)

Validate number of CPUs :type host: Host :param host: the host on which the CPUs reside :type editfield: QWidget :param editfield: widget specifying the number of CPUs :type silent: bool :param silent: suppresses warning dialogs when set to True

validateNumGpus(host, editfield, silent=False)

Validate number of GPUs :type host: Host :param host: the host on which the GPUs reside :type editfield: QWidget :param editfield: widget specifying the number of GPUs :type silent: bool :param silent: suppresses warning dialogs when set to True

validateNumOpenMP(host, silent=False)

Checks to make sure the number of requested processors and threads is consistent with what we know of the host capabilities.

Parameters:
  • host (Host) – The host on which the CPUs reside
  • silent (bool) – suppresses warning dialogs when set to True
Return type:

bool
Returns:

True if number of processors & threads is allowed, False if not
validateNumProcs(silent=False)

Checks that the number of processors requested is reasonable. Here the validation is conditional on the ‘cpus’ option. In derived classes this may not be valid (i.e. the validation should be run regardless of the ncpus options.

Parameters:
  • menu (QComboBox) – The menu specifying the host selection to be validated
  • numfield (QLineEdit) – The widget specifying the requested # of processors
  • silent (bool) – suppresses warning dialogs when set to True
warning(text)

Display a warning window with the specified text.

writePressed()

Slot for Write button

class schrodinger.ui.qt.config_dialog.JobParameters

Bases: object

Class for holding job parameters. Required by AppFrameworkFrame.

__init__()

All attributes are set directly after the instance is created.

printout()

Print out the job parameters.

class schrodinger.ui.qt.config_dialog.DialogParameters

Bases: object

Class for holding dialog parameters. Required by AppFramework Frame Dialogs.

When creating an AppFramework instance, keyword ‘dialogs’ can be sent with dictionary. This dictionary should hold another dictionary of options for each dialog the user wants to set options for, and the key for that dictionary should be the name of the dialog.

Example:

dialogs = {
            'start': {
                        'jobname': 'my_job',
                        'cpus': 0,
                      },
            'read': {
                        'filetypes': [('Input Files', '*.in'),],
                    },
            'write': {},
          }

Options need not be set upon creation of the AppFramework instance, however. You can set options at any point, causing the next call for that dialog to generate itself with the new options.

The DialogParameters instance can be found as:

<AppFramework instance>.dialog_param

Thus if I wanted to turn off the number of cpus option in the start dialog, I would have:

<AppFramework instance>.dialog_param.start['cpus'] = 0

or to change the file type for the read dialog:

<AppFramework instance>.dialog_param.read['filetypes'] =
                                            [('<Type>', '<.ext>')]

See the individual Dialog classes for the supported configuration options.

__init__()

See class docstring. Read dialogs parameters (askopenfilename options) are set to:

'initialdir': '.'
'filetypes': [('Input Files', '*.in')]

by default.

update(dict)

Built in function for updating the DialogParameters class. Passing a dictionary of the values that need to be changed or added will change current values if he key already exists, or add a new key/value pair if it doesn’t.

Thus, if I wanted to change the start dialog behavior with regard to jobname and tmpdir, I would probably do something like:

dict = {
           "start": {
                        'jobname': '<my_new_jobname>',
                        'tmpdir': 1,
                    }
       }

<DialogParameters object>.update(dict)

The next time I brought up the dialog, the changes will have been made.

set(dialog, **kw)

As an alternative to the update() method, I could change the same start dialog options with the command:

<DialogParameters object>.set(‘start’,
jobname = ‘<my_new_jobname>’, tmpdir = 1)

The next time I brought up the dialog, the changes will have been made.