schrodinger.application.combiglide.combenumdock module

Creates the Combiglide Interactive Enumeration and Dock panel.

The panel emits a job_submitted(jobid) signal when an enumeration job is submitted, allowing other panels to react and track the job if necessary.

Copyright Schrodinger, LLC. All rights reserved.

schrodinger.application.combiglide.combenumdock.get_unique_title(beginning, structs)

Adds FRAGMENT_INCREMENT_TAGx (x=integer) to the beginning string in order to create a title that is unique in the set of titles in structs.

This method strips off any ‘FRAGMENT_INCREMENT_TAGx’ (where x=integer) ending off of the beginning string before adding the new suffix in order to avoid names like frag-ied1-ied1.

Parameters:
  • beginning (str) – The string that will begin the title and have an integer appended to it to be unique
  • structs (list) – A list of Structure objects to use to check if a title is unique
Return type:

str

Returns:

A title unlike any currently found in the list of structures

schrodinger.application.combiglide.combenumdock.uniquify_titles(structs)

Modify any duplicate and blank titles in structs so that all titles are unique. Note that this directly modifies the structures in the list.

Parameters:structs (list) – A list of Structure objects to use to check if a title is unique
Return type:set
Returns:set of modified structure titles

Return the target of a symbolic link, can handle symlinks to symlinks Uses ‘linkresolver.exe’ on Windows to resolve shortcuts (‘.lnk’)

schrodinger.application.combiglide.combenumdock.get_maestro_groupname()
schrodinger.application.combiglide.combenumdock.get_sidebar_dict(dir_kws)

This function is used to get a dictionary to be used with filedialog.py

schrodinger.application.combiglide.combenumdock.minimize_structure(struct, main_window)

Minimize the structure, catching any mmlewis errors

Parameters:
Return type:

bool

Returns:

If the structure minimized without error

class schrodinger.application.combiglide.combenumdock.CgHydrogenFragmentAnnotator(atom1, atom2)

Bases: schrodinger.infra._canvas2d.ChemViewAnnotator

__init__(atom1, atom2)

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

annotate(view, dm)
class schrodinger.application.combiglide.combenumdock.collectionViewerModel(parent_panel, rowcount=0, columncount=4, unique=False)

Bases: schrodinger.ui.qt.structtable.ViewerModel

__init__(parent_panel, rowcount=0, columncount=4, unique=False)

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

removeStruct(row, column)
appendStruct(struct)
clearStructs()
getStructureCount()

Return the current number of structures in the model

Return type:int
Returns:The number of structures in the model
getUniqueTitle(beginning)

Adds a number to the beginning string in order to create a title that is unique in the current set of titles.

Parameters:beginning (str) – The string that will begin the title and have an integer appended to it to be unique
Return type:str
Returns:A title unlike any currently found in the table
uniquifyTitles()

Modify any duplicate and blank titles in the Fragment Collection so that all titles are unique

Return type:set
Returns:set of modified structure titles
doesTitleExist(title)

Check if the given title already exists in the fragment library

Return type:bool
Returns:True if title already exists, False if not
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 0x2c10e30>
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]
columnCount(self, parent: QModelIndex = QModelIndex()) → int
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)
data(self, QModelIndex, role: int = Qt.DisplayRole) → Any
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]

flags(self, QModelIndex) → Qt.ItemFlags
getStruct(index)
hasChildren()
hasIndex(self, int, int, parent: QModelIndex = QModelIndex()) → bool
headerData(self, int, Qt.Orientation, role: int = Qt.DisplayRole) → Any
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
reset()

PANEL-8852: Method added to prevent QtUpgradeError. This preserves backwards compatibility with QtCore.QAbstractTableModel.reset() but does not reset anything.

resetInternalData(self)
resize(row, column)
resizeColumns(cols)
resizeRows(row)
revert(self)
roleNames(self) → Dict[int, QByteArray]
rowCount(self, parent: QModelIndex = QModelIndex()) → int
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
setData(self, QModelIndex, Any, role: int = Qt.EditRole) → bool
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
setStruct(index, struct)

Given the index, replace the structure with the new value. If the _unique flag is true and the new value already exists in table, it is not added.

Returns:Return whether the new structure was successfully set at the specified index.
Return type:bool
setTable(view)
sibling(self, int, int, QModelIndex) → QModelIndex
signalsBlocked(self) → bool
sizeChanged
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>
structCount()
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.application.combiglide.combenumdock.editableViewerTable(tablemodel, fetchExportTitle, parent=None)

Bases: schrodinger.ui.qt.structtable.ViewerTable

changed
leftClicked
__init__(tablemodel, fetchExportTitle, parent=None)

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

mousePressEvent(self, QMouseEvent)
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

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2cfbe90>
DoubleClicked = 2
DragDrop = 3
class DragDropMode

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2cfc250>
DragOnly = 1
DragSelectingState = 2
DraggingState = 1
DrawChildren = 2
DrawWindowBackground = 1
class DropIndicatorPosition

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2cfc610>
DropOnly = 2
EditKeyPressed = 8
class EditTrigger

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2cfc9d0>
class EditTriggers

Bases: sip.simplewrapper

QAbstractItemView.EditTriggers(Union[QAbstractItemView.EditTriggers, QAbstractItemView.EditTrigger]) QAbstractItemView.EditTriggers(QAbstractItemView.EditTriggers)

__init__

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

EditingState = 3
EnsureVisible = 0
ExpandingState = 4
ExtendedSelection = 3
HLine = 4
IgnoreMask = 4
InternalMove = 4
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

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2cc0790>
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

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2d71c80>
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 ScrollHint

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2cfd820>
class ScrollMode

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2cfdbe0>
ScrollPerItem = 0
ScrollPerPixel = 1
SelectColumns = 2
SelectItems = 0
SelectRows = 1
SelectedClicked = 4
class SelectionBehavior

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2cfdfa0>
class SelectionMode

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2cfe360>
class Shadow

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2d16dc0>
Shadow_Mask = 240
class Shape

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2d17180>
Shape_Mask = 15
SingleSelection = 1
class SizeAdjustPolicy

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2cfeae0>
class State

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2cfe720>
class StyleMask

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2d17540>
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)
activated

activated(self, QModelIndex) [signal]

addAction(self, QAction)
addActions(self, Iterable[QAction])
addScrollBarWidget(self, QWidget, Union[Qt.Alignment, Qt.AlignmentFlag])
adjustSize(self)
alternatingRowColors(self) → bool
autoFillBackground(self) → bool
autoResize()
autoScrollMargin(self) → int
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, bool) → bool
cellAspectRatio()
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)
clearSelection(self)
clearSpans(self)
clicked

clicked(self, QModelIndex) [signal]

close(self) → bool
closeEditor(self, QWidget, QAbstractItemDelegate.EndEditHint)
closeEvent(self, QCloseEvent)
closePersistentEditor(self, QModelIndex)
colorCount(self) → int
columnAt(self, int) → int
columnCountChanged(self, int, int)
columnMoved(self, int, int, int)
columnResized(self, int, int, int)
columnSpan(self, int, int) → int
columnViewportPosition(self, int) → int
columnWidth(self, int) → int
commitData(self, QWidget)
connectNotify(self, QMetaMethod)
contentsMargins(self) → QMargins
contentsRect(self) → QRect
contextMenuEvent(self, QContextMenuEvent)
contextMenuPolicy(self) → Qt.ContextMenuPolicy
cornerWidget(self) → QWidget
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
currentChanged(self, QModelIndex, QModelIndex)
currentIndex(self) → QModelIndex
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, QPoint) [signal]

customEvent(self, QEvent)
dataChanged(self, QModelIndex, QModelIndex, roles: Iterable[int] = [])
defaultDropAction(self) → Qt.DropAction
delegate()
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
dirtyRegionOffset(self) → QPoint
disconnect(self)
disconnectNotify(self, QMetaMethod)
doubleClicked

doubleClicked(self, QModelIndex) [signal]

dragDropMode(self) → QAbstractItemView.DragDropMode
dragDropOverwriteMode(self) → bool
dragEnabled(self) → bool
dragEnterEvent(self, QDragEnterEvent)
dragLeaveEvent(self, QDragLeaveEvent)
dragMoveEvent(self, QDragMoveEvent)
drawFrame(self, QPainter)
dropEvent(self, QDropEvent)
dropIndicatorPosition(self) → QAbstractItemView.DropIndicatorPosition
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
edit(self, QModelIndex)

edit(self, QModelIndex, QAbstractItemView.EditTrigger, QEvent) -> bool

editTriggers(self) → QAbstractItemView.EditTriggers
editorDestroyed(self, QObject)
effectiveWinId(self) → sip.voidptr
ensurePolished(self)
enterEvent(self, QEvent)
entered

entered(self, QModelIndex) [signal]

event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
executeDelayedItemsLayout(self)
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
gridStyle(self) → Qt.PenStyle
hasAutoScroll(self) → bool
hasFocus(self) → bool
hasHeightForWidth(self) → bool
hasMouseTracking(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, int) → int
heightMM(self) → int
hide(self)
hideColumn(self, int)
hideEvent(self, QHideEvent)
hideRow(self, int)
horizontalHeader(self) → QHeaderView
horizontalOffset(self) → int
horizontalScrollBar(self) → QScrollBar
horizontalScrollBarPolicy(self) → Qt.ScrollBarPolicy
horizontalScrollMode(self) → QAbstractItemView.ScrollMode
horizontalScrollbarAction(self, int)
horizontalScrollbarValueChanged(self, int)
iconSize(self) → QSize
iconSizeChanged

iconSizeChanged(self, QSize) [signal]

indexAt(self, QPoint) → QModelIndex
indexWidget(self, QModelIndex) → QWidget
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
isActivelyScrolling()
isAncestorOf(self, QWidget) → bool
isColumnHidden(self, int) → bool
isCornerButtonEnabled(self) → bool
isEnabled(self) → bool
isEnabledTo(self, QWidget) → bool
isFullScreen(self) → bool
isHidden(self) → bool
isIndexHidden(self, QModelIndex) → bool
isLeftToRight(self) → bool
isMaximized(self) → bool
isMinimized(self) → bool
isModal(self) → bool
isPersistentEditorOpen(self, QModelIndex) → bool
isRightToLeft(self) → bool
isRowHidden(self, int) → bool
isScrolling()
isSignalConnected(self, QMetaMethod) → bool
isSortingEnabled(self) → bool
isVisible(self) → bool
isVisibleTo(self, QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
itemDelegate(self) → QAbstractItemDelegate

itemDelegate(self, QModelIndex) -> QAbstractItemDelegate

itemDelegateForColumn(self, int) → QAbstractItemDelegate
itemDelegateForRow(self, int) → QAbstractItemDelegate
keyPressEvent(self, QKeyEvent)
keyReleaseEvent(self, QKeyEvent)
keyboardGrabber() → QWidget
keyboardSearch(self, str)
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
maximumViewportSize(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
model(self) → QAbstractItemModel
mouseDoubleClickEvent(self, QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, QMouseEvent)
mouseReleaseEvent(self, QMouseEvent)
move(self, QPoint)

move(self, int, int)

moveCursor(self, QAbstractItemView.CursorAction, Union[Qt.KeyboardModifiers, Qt.KeyboardModifier]) → QModelIndex
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]

openPersistentEditor(self, QModelIndex)
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
pressed

pressed(self, QModelIndex) [signal]

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)

reset(self)
resetHorizontalScrollMode(self)
resetVerticalScrollMode(self)
resize(self, QSize)

resize(self, int, int)

resizeColumnToContents(self, int)
resizeColumnsToContents(self)
resizeEvent(self, QResizeEvent)
resizeRowToContents(self, int)
resizeRowsToContents(self)
restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool
rootIndex(self) → QModelIndex
rowAt(self, int) → int
rowCountChanged(self, int, int)
rowHeight(self, int) → int
rowMoved(self, int, int, int)
rowResized(self, int, int, int)
rowSpan(self, int, int) → int
rowViewportPosition(self, int) → int
rowsAboutToBeRemoved(self, QModelIndex, int, int)
rowsInserted(self, QModelIndex, int, int)
saveGeometry(self) → QByteArray
scheduleDelayedItemsLayout(self)
scroll(self, int, int)

scroll(self, int, int, QRect)

scrollBarWidgets(self, Union[Qt.Alignment, Qt.AlignmentFlag]) → List[QWidget]
scrollContentsBy(self, int, int)
scrollDirtyRegion(self, int, int)
scrollTo(self, QModelIndex, hint: QAbstractItemView.ScrollHint = QAbstractItemView.EnsureVisible)
scrollToBottom(self)
scrollToTop(self)
selectAll(self)
selectColumn(self, int)
selectRow(self, int)
selectedIndexes(self) → List[QModelIndex]
selectionBehavior(self) → QAbstractItemView.SelectionBehavior
selectionChanged(self, QItemSelection, QItemSelection)
selectionCommand(self, QModelIndex, event: QEvent = None) → QItemSelectionModel.SelectionFlags
selectionMode(self) → QAbstractItemView.SelectionMode
selectionModel(self) → QItemSelectionModel
sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, bool)
setAccessibleDescription(self, str)
setAccessibleName(self, str)
setAlternatingRowColors(self, bool)
setAttribute(self, Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, bool)
setAutoResize(val)
setAutoScroll(self, bool)
setAutoScrollMargin(self, int)
setBackgroundRole(self, QPalette.ColorRole)
setBaseSize(self, int, int)

setBaseSize(self, QSize)

setColumnHidden(self, int, bool)
setColumnWidth(self, int, int)
setContentsMargins(self, int, int, int, int)

setContentsMargins(self, QMargins)

setContextMenuPolicy(self, Qt.ContextMenuPolicy)
setCornerButtonEnabled(self, bool)
setCornerWidget(self, QWidget)
setCurrentIndex(self, QModelIndex)
setCursor(self, Union[QCursor, Qt.CursorShape])
setDefaultDropAction(self, Qt.DropAction)
setDelegate(d)
setDirtyRegion(self, QRegion)
setDisabled(self, bool)
setDragDropMode(self, QAbstractItemView.DragDropMode)
setDragDropOverwriteMode(self, bool)
setDragEnabled(self, bool)
setDropIndicatorShown(self, bool)
setEditTriggers(self, Union[QAbstractItemView.EditTriggers, QAbstractItemView.EditTrigger])
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)
setGridStyle(self, Qt.PenStyle)
setHidden(self, bool)
setHorizontalHeader(self, QHeaderView)
setHorizontalScrollBar(self, QScrollBar)
setHorizontalScrollBarPolicy(self, Qt.ScrollBarPolicy)
setHorizontalScrollMode(self, QAbstractItemView.ScrollMode)
setIconSize(self, QSize)
setIndexWidget(self, QModelIndex, QWidget)
setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])
setItemDelegate(self, QAbstractItemDelegate)
setItemDelegateForColumn(self, int, QAbstractItemDelegate)
setItemDelegateForRow(self, int, QAbstractItemDelegate)
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)
setModel(self, QAbstractItemModel)
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
setRootIndex(self, QModelIndex)
setRowHeight(self, int, int)
setRowHidden(self, int, bool)
setSelection(self, QRect, Union[QItemSelectionModel.SelectionFlags, QItemSelectionModel.SelectionFlag])
setSelectionBehavior(self, QAbstractItemView.SelectionBehavior)
setSelectionMode(self, QAbstractItemView.SelectionMode)
setSelectionModel(self, QItemSelectionModel)
setShortcutAutoRepeat(self, int, enabled: bool = True)
setShortcutEnabled(self, int, enabled: bool = True)
setShowGrid(self, bool)
setSizeAdjustPolicy(self, QAbstractScrollArea.SizeAdjustPolicy)
setSizeIncrement(self, int, int)

setSizeIncrement(self, QSize)

setSizePolicy(self, QSizePolicy)

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

setSortingEnabled(self, bool)
setSpan(self, int, int, int, int)
setState(self, QAbstractItemView.State)
setStatusTip(self, str)
setStyle(self, QStyle)
setStyleSheet(self, str)
setTabKeyNavigation(self, bool)
setTabOrder(QWidget, QWidget)
setTabletTracking(self, bool)
setTextElideMode(self, Qt.TextElideMode)
setToolTip(self, str)
setToolTipDuration(self, int)
setUpdatesEnabled(self, bool)
setVerticalHeader(self, QHeaderView)
setVerticalScrollBar(self, QScrollBar)
setVerticalScrollBarPolicy(self, Qt.ScrollBarPolicy)
setVerticalScrollMode(self, QAbstractItemView.ScrollMode)
setViewport(self, QWidget)
setViewportMargins(self, int, int, int, int)

setViewportMargins(self, QMargins)

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)
setWordWrap(self, bool)
setupViewport(self, QWidget)
sharedPainter(self) → QPainter
show(self)
showColumn(self, int)
showDropIndicator(self) → bool
showEvent(self, QShowEvent)
showFullScreen(self)
showGrid(self) → bool
showMaximized(self)
showMinimized(self)
showNormal(self)
showRow(self, int)
signalsBlocked(self) → bool
size(self) → QSize
sizeAdjustPolicy(self) → QAbstractScrollArea.SizeAdjustPolicy
sizeHint(self) → QSize
sizeHintForColumn(self, int) → int
sizeHintForIndex(self, QModelIndex) → QSize
sizeHintForRow(self, int) → int
sizeIncrement(self) → QSize
sizePolicy(self) → QSizePolicy
sortByColumn(self, int, Qt.SortOrder)
stackUnder(self, QWidget)
startDrag(self, Union[Qt.DropActions, Qt.DropAction])
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
state(self) → QAbstractItemView.State
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
statusTip(self) → str
style(self) → QStyle
styleSheet(self) → str
tabKeyNavigation(self) → bool
tabletEvent(self, QTabletEvent)
testAttribute(self, Qt.WidgetAttribute) → bool
textElideMode(self) → Qt.TextElideMode
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, QModelIndex)

updateEditorData(self)
updateEditorGeometries(self)
updateGeometries(self)
updateGeometry(self)
updateMicroFocus(self)
updatesEnabled(self) → bool
verticalHeader(self) → QHeaderView
verticalOffset(self) → int
verticalScrollBar(self) → QScrollBar
verticalScrollBarPolicy(self) → Qt.ScrollBarPolicy
verticalScrollMode(self) → QAbstractItemView.ScrollMode
verticalScrollbarAction(self, int)
verticalScrollbarValueChanged(self, int)
viewOptions(self) → QStyleOptionViewItem
viewport(self) → QWidget
viewportEntered

viewportEntered(self) [signal]

viewportEvent(self, QEvent) → bool
viewportMargins(self) → QMargins
viewportSizeHint(self) → QSize
visibleRegion(self) → QRegion
visualRect(self, QModelIndex) → QRect
visualRegionForSelection(self, QItemSelection) → 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
wordWrap(self) → bool
x(self) → int
y(self) → int
class schrodinger.application.combiglide.combenumdock.glidePrecisionDialog

Bases: object

setupUi(Dialog)
retranslateUi(Dialog)
__init__

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

class schrodinger.application.combiglide.combenumdock.WidgetWithClosedSignal

Bases: PyQt5.QtWidgets.QWidget

windowClosed
DrawChildren = 2
DrawWindowBackground = 1
IgnoreMask = 4
class PaintDeviceMetric

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2cc0790>
PdmDepth = 6
PdmDevicePixelRatio = 11
PdmDevicePixelRatioScaled = 12
PdmDpiX = 7
PdmDpiY = 8
PdmHeight = 2
PdmHeightMM = 4
PdmNumColors = 5
PdmPhysicalDpiX = 9
PdmPhysicalDpiY = 10
PdmWidth = 1
PdmWidthMM = 3
class RenderFlag

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2d71c80>
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.

__init__

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

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)
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
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
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)
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)
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
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)
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)
setLocale(self, QLocale)
setMask(self, QBitmap)

setMask(self, QRegion)

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

setMaximumSize(self, QSize)

setMaximumWidth(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
class schrodinger.application.combiglide.combenumdock.BaseInteractiveEnumeration(untangle=True, jobname=None, write_files_only=False)

Bases: PyQt5.QtCore.QObject

This is the main class for the panel, to show the panel simply create an instance of this class.

job_submitted
enumeration_files_written
__init__(untangle=True, jobname=None, write_files_only=False)
Parameters:
  • untangle (bool) – True if the combgen untangle option should be used when enumerating structures, False if not
  • jobname (str) – The jobname for the panel. By default, the jobname is “cgenumerate”. jobname must be supplied if write_files_only is True and will be the name of the directory the files are written to and will also be the base name of the files in that directory.
  • write_files_only (bool) – If True, the files required to run the job will be written and the enumeration_files_written signal will be emitted. If False, the enumeration job will be launched and the job_submitted signal will be emitted. The default is False.
showMainWindow()
hideCoreImportWidgets()

Hide the widgets that allow importing the core into the panel. Workflows that implement this will have to manually import a core, probably using the createCombLibSelectFile method.

This allows the panel to be used to modify a specific structure only.

initializeGrowers()

Initialize the mmfrag and mmbuild libraries to prepare for growing fragments

growMethyl(struct, atom1, atom2)

Grow a methyl in the forward direction

Parameters:
  • struct (schrodinger.structure.Structure) – The structure object to grow the methyl on
  • atom1 (int) – The atom index of the from atom
  • atom2 (int) – The atom index of the to atom
Return type:

tuple

Returns:

(int, int, dictionary) The new atom1, the new atom2, and a dictionary mapping old atoms to new

growFluoro(struct, atom1, atom2)

Grow a fluorine in the forward direction

Parameters:
  • struct (schrodinger.structure.Structure) – The structure object to grow the fluorene on
  • atom1 (int) – The atom index of the from atom
  • atom2 (int) – The atom index of the to atom
Return type:

tuple

Returns:

(int, int, dictionary) The new atom1, the new atom2, and a dictionary mapping old atoms to new

growFragmentForward(handle, fragment, struct, atom1, atom2)

Grow a fragment in the forward direction

Parameters:
  • handle (mmfrag handle) – A handle created via mmfrag_new()
  • fragment (str) – Name of a fragment available in the mmfrag handle set, such as “Methyl” or “fluoro”
  • struct (schrodinger.structure.Structure) – The structure object to grow the fluorene on
  • atom1 (int) – The atom index of the from atom
  • atom2 (int) – The atom index of the to atom
Return type:

tuple

Returns:

(int, int, dictionary) The new atom1, the new atom2, and a dictionary mapping old atoms to new

ensureValidCollectionTitles(filename)

Check all the fragment titles in filename and create a new file with valid (non-duplicate, non-blank) titles if the original file contains duplicate or blank titles.

Parameters:filename (str) – The absolute path to the file to check
Return type:str
Returns:The path to the file to use. If filename contains all valid titles, filename is returned
setDefaultCollection(filenameTxt=None)
clearDefaultCollection()
setComblibDir(comblibDir)
openCollectionPanel()
browse_for_collection_dir()
scan_collection_dir(directory)
enableRevert()
getCore()
closePalette()
clearPalette()
clearCollection(clearSelection=True)
clearCombdef()
getPTGroupnameCollection()
getPTGroupnamePalette()
updateLibraryCounts()
loadZoomStruct(index)
tabChange(newtab)
collectionRefreshed()
collectionChanged()

A slot to be called by the 2d-viewer collection table

paletteRefreshed()
paletteChanged()
checkForPaletteChanges()
exportPalette()
savePalette(filename)
checkForCollectionChanges()
close()
help()
helpNC()
showNC()
importPalette()
fragImportFromSketcher()
importFragmentCollection()
makeAllTitlesUnique()

Make sure all fragment titles are unique and non-blank

setFragmentCollection(filenameTxt)

This function assumes that we know for sure we want to load the collection - anything that calls this function is presumed to have already prompted the user to save changes if necessary. Also the caller of this function will be responsible for setting the text in the Collection Table filename line and setting the collectionbp if there is a selected collection.

exportCombLibSelectFile()
exportCoreSelectFile()
revertCombLib()
revertCollection()
importCombLibSelectFile(filenameTxt='')
checkForCombLibChanges(autoSave=False)
flashRow(row)
swapPics()
saveCurrentCollection(filename)
saveCurrentCombLibDef(filename)
createCombLibSelectFile(struct=None, checkChanges=True, src=None)
createRowInCollectionTable(from_atom, to_atom, row, aname, r_num, rpath, minLink, maxLink, bondToH=False)
loadStructIntoStructView(struct)
doubleClickTable(row, column)
contextMenuRequested(pos)
getCollectionFilename(oldFilename='')
applyCurrentCollection(item=None)
applyCurrentSelection(item=None)
browseForNewCollection(item)
appendNewCollection(item)
countTotalStructures()

Count the total number of structures that will be enumerated and update the feedback widget

exportCollection(askToAssociate=True)
renameCollection(item)
deleteCollectionRow(item)
updateSelection()
validateLinkerChange(row, column)

Check any edits the user makes to one of the linker cells in the Collection Table to make sure it is a positive integer and the min < max

Parameters:
  • row (int) – The table row of the cell
  • column (int) – The table column of the cell
enumerate()
postLaunch(job)

Called when the job is launched. Opens the monitor panel.

gridBrowse()
coreSketch()
getCoreCBChanged(str)
blockSignals(self, bool) → bool
childEvent(self, QChildEvent)
children(self) → List[QObject]
connectNotify(self, QMetaMethod)
customEvent(self, QEvent)
deleteLater(self)
destroyed

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

disconnect(self)
disconnectNotify(self, QMetaMethod)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
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]

inherits(self, str) → bool
installEventFilter(self, QObject)
isSignalConnected(self, QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, int)
metaObject(self) → QMetaObject
moveToThread(self, QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

parent(self) → QObject
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
removeEventFilter(self, QObject)
sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, str)
setParent(self, QObject)
setProperty(self, str, Any) → bool
signalsBlocked(self) → bool
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, QTimerEvent)
tr(self, str, disambiguation: str = None, n: int = -1) → str
class schrodinger.application.combiglide.combenumdock.ConnectionStorage

Bases: schrodinger.application.combiglide.connection_storage.ConnectionStorage

This class is used to store the data of the current connection table.

containsMultipleCores()

This panel does not use multiple cores, so override the parent class function

__init__()

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

addPair(bp, name='', csize=0, minlink=0, maxlink=0, cfile=0, bondToH=False, selected=False)

Adds a bond pair to the list of bond pairs, and also creates a more or less empty data line for that data. Data in array: [Attachment name, collection size, min linkers, max linkers, collection file, table row]

blockSignals(self, bool) → bool
bondPair(a1, a2)
bondToH(bp)
changePair(oldbp, newbp)
changesSaved()
childEvent(self, QChildEvent)
children(self) → List[QObject]
clearSelected()
collectionChanged()
connectNotify(self, QMetaMethod)
customEvent(self, QEvent)
deleteLater(self)
deletePair(bp)
destroyed

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

disconnect(self)
disconnectNotify(self, QMetaMethod)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
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]

getAtomColorList()
getAtomList()
getBondColorList()
getBondList()
getBondListWithIgnored()
getCompleteBondList()
getConnectionColor(i)

Return the appropriate connection color for the i-th connection

Parameters:i (int) – The connection number to get the color for
Returns:The appropriate color, formatted as a list of three integers between 0 and 255
Return type:list
getConnectionFile(bp)
getConnectionName(bp)
getConnectionSize(bp)
getPairFromRow(num)
getRow(bp)
getSelected(bp)
hasChanged()
inherits(self, str) → bool
installEventFilter(self, QObject)
isSignalConnected(self, QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, int)
metaObject(self) → QMetaObject
moveToThread(self, QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

parent(self) → QObject
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
removeEventFilter(self, QObject)
removeIgnorePair()
reset()
sender(self) → QObject
senderSignalIndex(self) → int
setConnectionFile(bp, cfile)
setConnectionName(bp, cname)
setConnectionSize(bp, csize)
setData(bp, name, csize, minlink, maxlink, cfile, row, bondToH, selected)
setIgnorePair(bp)
setObjectName(self, str)
setParent(self, QObject)
setProperty(self, str, Any) → bool
setRow(bp, row)
setSelected(bp, selected)
signalsBlocked(self) → bool
size()
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
switchPair(bp, newbp=False)
thread(self) → QThread
timerEvent(self, QTimerEvent)
tr(self, str, disambiguation: str = None, n: int = -1) → str
class schrodinger.application.combiglide.combenumdock.simpleEnumDockDelegate(tableview, tablemodel, parent_panel, filename=None)

Bases: schrodinger.ui.qt.structtable.StructureReaderDelegate

__init__(tableview, tablemodel, parent_panel, filename=None)

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

generatePicture(index)

Overwrite this method. It should return a QPicture object for item index.

paintCell(painter, option, index, pic)

Overwrite this method for custom cell drawing

setFile(filename=None)
appendFile(filename)
EditNextItem = 1
EditPreviousItem = 2
class EndEditHint

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2c7fd20>
NoHint = 0
RevertModelCache = 4
SubmitModelCache = 3
autoResizeCells()

Auto-resizes the cells based on the number of columns in the table model and the width of the table.

blockSignals(self, bool) → bool
childEvent(self, QChildEvent)
children(self) → List[QObject]
clearCache()

Will clear all QPictures that are cached.

closeEditor

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

commitData

commitData(self, QWidget) [signal]

connectNotify(self, QMetaMethod)
createEditor(self, QWidget, QStyleOptionViewItem, QModelIndex) → QWidget
customEvent(self, QEvent)
deleteLater(self)
destroyEditor(self, QWidget, QModelIndex)
destroyed

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

disconnect(self)
disconnectNotify(self, QMetaMethod)
drawBackground(self, QPainter, QStyleOptionViewItem, QModelIndex)
drawCheck(self, QPainter, QStyleOptionViewItem, QRect, Qt.CheckState)
drawDecoration(self, QPainter, QStyleOptionViewItem, QRect, QPixmap)
drawDisplay(self, QPainter, QStyleOptionViewItem, QRect, str)
drawFocus(self, QPainter, QStyleOptionViewItem, QRect)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
editorEvent(self, QEvent, QAbstractItemModel, QStyleOptionViewItem, QModelIndex) → bool
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
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]

hasClipping(self) → bool
helpEvent(self, QHelpEvent, QAbstractItemView, QStyleOptionViewItem, QModelIndex) → bool
inherits(self, str) → bool
installEventFilter(self, QObject)
isSignalConnected(self, QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
itemEditorFactory(self) → QItemEditorFactory
killTimer(self, int)
metaObject(self) → QMetaObject
moveToThread(self, QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

paint(painter, option, index)

This handles the logic behind painting/not-painting when the scrollbar is being dragged.

paintWait()

Returns if we are drawing during while the scrollbar is dragged.

parent(self) → QObject
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.

recalculateTableSize()
receivers(self, PYQT_SIGNAL) → int
removeEventFilter(self, QObject)
sender(self) → QObject
senderSignalIndex(self) → int
setCellSize(width, height)

Sets the default cell size, and resizes appropriately.

setClipping(self, bool)
setEditorData(self, QWidget, QModelIndex)
setItemEditorFactory(self, QItemEditorFactory)
setModelData(self, QWidget, QAbstractItemModel, QModelIndex)
setObjectName(self, str)
setPaintWait(val)

Use this function to turn on/off delaying drawing of cells until the scrollbar is not being used. This may be useful in CPU intensive cell-drawing delegates.

setParent(self, QObject)
setProperty(self, str, Any) → bool
signalsBlocked(self) → bool
sizeHint(option, index)

Tells the default width,height of Cells

sizeHintChanged

sizeHintChanged(self, QModelIndex) [signal]

startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, QTimerEvent)
tr(self, str, disambiguation: str = None, n: int = -1) → str
updateEditorGeometry(self, QWidget, QStyleOptionViewItem, QModelIndex)
class schrodinger.application.combiglide.combenumdock.createFragmentDelegate(tableview, tablemodel, ncwindow, filename=None)

Bases: schrodinger.ui.qt.structtable.StructureReaderDelegate

__init__(tableview, tablemodel, ncwindow, filename=None)

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

generatePicture(index)

Overwrite this method. It should return a QPicture object for item index.

paintCell(painter, option, index, pic)

Overwrite this method for custom cell drawing

setFile(filename=None)
appendFile(input)

Accepts either a filename as input, or a single ct.

EditNextItem = 1
EditPreviousItem = 2
class EndEditHint

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2c7fd20>
NoHint = 0
RevertModelCache = 4
SubmitModelCache = 3
autoResizeCells()

Auto-resizes the cells based on the number of columns in the table model and the width of the table.

blockSignals(self, bool) → bool
childEvent(self, QChildEvent)
children(self) → List[QObject]
clearCache()

Will clear all QPictures that are cached.

closeEditor

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

commitData

commitData(self, QWidget) [signal]

connectNotify(self, QMetaMethod)
createEditor(self, QWidget, QStyleOptionViewItem, QModelIndex) → QWidget
customEvent(self, QEvent)
deleteLater(self)
destroyEditor(self, QWidget, QModelIndex)
destroyed

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

disconnect(self)
disconnectNotify(self, QMetaMethod)
drawBackground(self, QPainter, QStyleOptionViewItem, QModelIndex)
drawCheck(self, QPainter, QStyleOptionViewItem, QRect, Qt.CheckState)
drawDecoration(self, QPainter, QStyleOptionViewItem, QRect, QPixmap)
drawDisplay(self, QPainter, QStyleOptionViewItem, QRect, str)
drawFocus(self, QPainter, QStyleOptionViewItem, QRect)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
editorEvent(self, QEvent, QAbstractItemModel, QStyleOptionViewItem, QModelIndex) → bool
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
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]

hasClipping(self) → bool
helpEvent(self, QHelpEvent, QAbstractItemView, QStyleOptionViewItem, QModelIndex) → bool
inherits(self, str) → bool
installEventFilter(self, QObject)
isSignalConnected(self, QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
itemEditorFactory(self) → QItemEditorFactory
killTimer(self, int)
metaObject(self) → QMetaObject
moveToThread(self, QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

paint(painter, option, index)

This handles the logic behind painting/not-painting when the scrollbar is being dragged.

paintWait()

Returns if we are drawing during while the scrollbar is dragged.

parent(self) → QObject
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.

recalculateTableSize()
receivers(self, PYQT_SIGNAL) → int
removeEventFilter(self, QObject)
sender(self) → QObject
senderSignalIndex(self) → int
setCellSize(width, height)

Sets the default cell size, and resizes appropriately.

setClipping(self, bool)
setEditorData(self, QWidget, QModelIndex)
setItemEditorFactory(self, QItemEditorFactory)
setModelData(self, QWidget, QAbstractItemModel, QModelIndex)
setObjectName(self, str)
setPaintWait(val)

Use this function to turn on/off delaying drawing of cells until the scrollbar is not being used. This may be useful in CPU intensive cell-drawing delegates.

setParent(self, QObject)
setProperty(self, str, Any) → bool
signalsBlocked(self) → bool
sizeHint(option, index)

Tells the default width,height of Cells

sizeHintChanged

sizeHintChanged(self, QModelIndex) [signal]

startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, QTimerEvent)
tr(self, str, disambiguation: str = None, n: int = -1) → str
updateEditorGeometry(self, QWidget, QStyleOptionViewItem, QModelIndex)
class schrodinger.application.combiglide.combenumdock.InteractionEnumerationPanel(untangle=True, matsci=False)

Bases: schrodinger.application.combiglide.combenumdock.BaseInteractiveEnumeration

For opening the stand-alone panel.

__init__(untangle=True, matsci=False)
Parameters:
  • untangle (bool) – True if the combgen untangle option should be used when enumerating structures, False if not.
  • matsci – Whether to show the Materials Science help topic instead of the CombiGlide one.
postLaunch(job)

Called when the job is launched. Opens a dialog stating that the job has started.

appendNewCollection(item)
applyCurrentCollection(item=None)
applyCurrentSelection(item=None)
blockSignals(self, bool) → bool
browseForNewCollection(item)
browse_for_collection_dir()
checkForCollectionChanges()
checkForCombLibChanges(autoSave=False)
checkForPaletteChanges()
childEvent(self, QChildEvent)
children(self) → List[QObject]
clearCollection(clearSelection=True)
clearCombdef()
clearDefaultCollection()
clearPalette()
close()
closePalette()
collectionChanged()

A slot to be called by the 2d-viewer collection table

collectionRefreshed()
connectNotify(self, QMetaMethod)
contextMenuRequested(pos)
coreSketch()
countTotalStructures()

Count the total number of structures that will be enumerated and update the feedback widget

createCombLibSelectFile(struct=None, checkChanges=True, src=None)
createRowInCollectionTable(from_atom, to_atom, row, aname, r_num, rpath, minLink, maxLink, bondToH=False)
customEvent(self, QEvent)
deleteCollectionRow(item)
deleteLater(self)
destroyed

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

disconnect(self)
disconnectNotify(self, QMetaMethod)
doubleClickTable(row, column)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
enableRevert()
ensureValidCollectionTitles(filename)

Check all the fragment titles in filename and create a new file with valid (non-duplicate, non-blank) titles if the original file contains duplicate or blank titles.

Parameters:filename (str) – The absolute path to the file to check
Return type:str
Returns:The path to the file to use. If filename contains all valid titles, filename is returned
enumerate()
enumeration_files_written
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
exportCollection(askToAssociate=True)
exportCombLibSelectFile()
exportCoreSelectFile()
exportPalette()
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]

flashRow(row)
fragImportFromSketcher()
getCollectionFilename(oldFilename='')
getCore()
getCoreCBChanged(str)
getPTGroupnameCollection()
getPTGroupnamePalette()
gridBrowse()
growFluoro(struct, atom1, atom2)

Grow a fluorine in the forward direction

Parameters:
  • struct (schrodinger.structure.Structure) – The structure object to grow the fluorene on
  • atom1 (int) – The atom index of the from atom
  • atom2 (int) – The atom index of the to atom
Return type:

tuple

Returns:

(int, int, dictionary) The new atom1, the new atom2, and a dictionary mapping old atoms to new

growFragmentForward(handle, fragment, struct, atom1, atom2)

Grow a fragment in the forward direction

Parameters:
  • handle (mmfrag handle) – A handle created via mmfrag_new()
  • fragment (str) – Name of a fragment available in the mmfrag handle set, such as “Methyl” or “fluoro”
  • struct (schrodinger.structure.Structure) – The structure object to grow the fluorene on
  • atom1 (int) – The atom index of the from atom
  • atom2 (int) – The atom index of the to atom
Return type:

tuple

Returns:

(int, int, dictionary) The new atom1, the new atom2, and a dictionary mapping old atoms to new

growMethyl(struct, atom1, atom2)

Grow a methyl in the forward direction

Parameters:
  • struct (schrodinger.structure.Structure) – The structure object to grow the methyl on
  • atom1 (int) – The atom index of the from atom
  • atom2 (int) – The atom index of the to atom
Return type:

tuple

Returns:

(int, int, dictionary) The new atom1, the new atom2, and a dictionary mapping old atoms to new

help()
helpNC()
hideCoreImportWidgets()

Hide the widgets that allow importing the core into the panel. Workflows that implement this will have to manually import a core, probably using the createCombLibSelectFile method.

This allows the panel to be used to modify a specific structure only.

importCombLibSelectFile(filenameTxt='')
importFragmentCollection()
importPalette()
inherits(self, str) → bool
initializeGrowers()

Initialize the mmfrag and mmbuild libraries to prepare for growing fragments

installEventFilter(self, QObject)
isSignalConnected(self, QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
job_submitted
killTimer(self, int)
loadStructIntoStructView(struct)
loadZoomStruct(index)
makeAllTitlesUnique()

Make sure all fragment titles are unique and non-blank

metaObject(self) → QMetaObject
moveToThread(self, QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

openCollectionPanel()
paletteChanged()
paletteRefreshed()
parent(self) → QObject
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
removeEventFilter(self, QObject)
renameCollection(item)
revertCollection()
revertCombLib()
saveCurrentCollection(filename)
saveCurrentCombLibDef(filename)
savePalette(filename)
scan_collection_dir(directory)
sender(self) → QObject
senderSignalIndex(self) → int
setComblibDir(comblibDir)
setDefaultCollection(filenameTxt=None)
setFragmentCollection(filenameTxt)

This function assumes that we know for sure we want to load the collection - anything that calls this function is presumed to have already prompted the user to save changes if necessary. Also the caller of this function will be responsible for setting the text in the Collection Table filename line and setting the collectionbp if there is a selected collection.

setObjectName(self, str)
setParent(self, QObject)
setProperty(self, str, Any) → bool
showMainWindow()
showNC()
signalsBlocked(self) → bool
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
swapPics()
tabChange(newtab)
thread(self) → QThread
timerEvent(self, QTimerEvent)
tr(self, str, disambiguation: str = None, n: int = -1) → str
updateLibraryCounts()
updateSelection()
validateLinkerChange(row, column)

Check any edits the user makes to one of the linker cells in the Collection Table to make sure it is a positive integer and the min < max

Parameters:
  • row (int) – The table row of the cell
  • column (int) – The table column of the cell
class schrodinger.application.combiglide.combenumdock.MaterialEnumerationDialog(jobname=None, write_files_only=False, untangle=True)

Bases: schrodinger.application.combiglide.combenumdock.BaseInteractiveEnumeration

Class for opening the Interactive Enumeratio panel as a dialog from Materials Science panels.

appendNewCollection(item)
applyCurrentCollection(item=None)
applyCurrentSelection(item=None)
blockSignals(self, bool) → bool
browseForNewCollection(item)
browse_for_collection_dir()
checkForCollectionChanges()
checkForCombLibChanges(autoSave=False)
checkForPaletteChanges()
childEvent(self, QChildEvent)
children(self) → List[QObject]
clearCollection(clearSelection=True)
clearCombdef()
clearDefaultCollection()
clearPalette()
close()
closePalette()
collectionChanged()

A slot to be called by the 2d-viewer collection table

collectionRefreshed()
connectNotify(self, QMetaMethod)
contextMenuRequested(pos)
coreSketch()
countTotalStructures()

Count the total number of structures that will be enumerated and update the feedback widget

createCombLibSelectFile(struct=None, checkChanges=True, src=None)
createRowInCollectionTable(from_atom, to_atom, row, aname, r_num, rpath, minLink, maxLink, bondToH=False)
customEvent(self, QEvent)
deleteCollectionRow(item)
deleteLater(self)
destroyed

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

disconnect(self)
disconnectNotify(self, QMetaMethod)
doubleClickTable(row, column)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
enableRevert()
ensureValidCollectionTitles(filename)

Check all the fragment titles in filename and create a new file with valid (non-duplicate, non-blank) titles if the original file contains duplicate or blank titles.

Parameters:filename (str) – The absolute path to the file to check
Return type:str
Returns:The path to the file to use. If filename contains all valid titles, filename is returned
enumerate()
enumeration_files_written
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
exportCollection(askToAssociate=True)
exportCombLibSelectFile()
exportCoreSelectFile()
exportPalette()
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]

flashRow(row)
fragImportFromSketcher()
getCollectionFilename(oldFilename='')
getCore()
getCoreCBChanged(str)
getPTGroupnameCollection()
getPTGroupnamePalette()
gridBrowse()
growFluoro(struct, atom1, atom2)

Grow a fluorine in the forward direction

Parameters:
  • struct (schrodinger.structure.Structure) – The structure object to grow the fluorene on
  • atom1 (int) – The atom index of the from atom
  • atom2 (int) – The atom index of the to atom
Return type:

tuple

Returns:

(int, int, dictionary) The new atom1, the new atom2, and a dictionary mapping old atoms to new

growFragmentForward(handle, fragment, struct, atom1, atom2)

Grow a fragment in the forward direction

Parameters:
  • handle (mmfrag handle) – A handle created via mmfrag_new()
  • fragment (str) – Name of a fragment available in the mmfrag handle set, such as “Methyl” or “fluoro”
  • struct (schrodinger.structure.Structure) – The structure object to grow the fluorene on
  • atom1 (int) – The atom index of the from atom
  • atom2 (int) – The atom index of the to atom
Return type:

tuple

Returns:

(int, int, dictionary) The new atom1, the new atom2, and a dictionary mapping old atoms to new

growMethyl(struct, atom1, atom2)

Grow a methyl in the forward direction

Parameters:
  • struct (schrodinger.structure.Structure) – The structure object to grow the methyl on
  • atom1 (int) – The atom index of the from atom
  • atom2 (int) – The atom index of the to atom
Return type:

tuple

Returns:

(int, int, dictionary) The new atom1, the new atom2, and a dictionary mapping old atoms to new

help()
helpNC()
hideCoreImportWidgets()

Hide the widgets that allow importing the core into the panel. Workflows that implement this will have to manually import a core, probably using the createCombLibSelectFile method.

This allows the panel to be used to modify a specific structure only.

importCombLibSelectFile(filenameTxt='')
importFragmentCollection()
importPalette()
inherits(self, str) → bool
initializeGrowers()

Initialize the mmfrag and mmbuild libraries to prepare for growing fragments

installEventFilter(self, QObject)
isSignalConnected(self, QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
job_submitted
killTimer(self, int)
loadStructIntoStructView(struct)
loadZoomStruct(index)
makeAllTitlesUnique()

Make sure all fragment titles are unique and non-blank

metaObject(self) → QMetaObject
moveToThread(self, QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

openCollectionPanel()
paletteChanged()
paletteRefreshed()
parent(self) → QObject
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
removeEventFilter(self, QObject)
renameCollection(item)
revertCollection()
revertCombLib()
saveCurrentCollection(filename)
saveCurrentCombLibDef(filename)
savePalette(filename)
scan_collection_dir(directory)
sender(self) → QObject
senderSignalIndex(self) → int
setComblibDir(comblibDir)
setDefaultCollection(filenameTxt=None)
setFragmentCollection(filenameTxt)

This function assumes that we know for sure we want to load the collection - anything that calls this function is presumed to have already prompted the user to save changes if necessary. Also the caller of this function will be responsible for setting the text in the Collection Table filename line and setting the collectionbp if there is a selected collection.

setObjectName(self, str)
setParent(self, QObject)
setProperty(self, str, Any) → bool
showMainWindow()
showNC()
signalsBlocked(self) → bool
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
swapPics()
tabChange(newtab)
thread(self) → QThread
timerEvent(self, QTimerEvent)
tr(self, str, disambiguation: str = None, n: int = -1) → str
updateLibraryCounts()
updateSelection()
validateLinkerChange(row, column)

Check any edits the user makes to one of the linker cells in the Collection Table to make sure it is a positive integer and the min < max

Parameters:
  • row (int) – The table row of the cell
  • column (int) – The table column of the cell
__init__(jobname=None, write_files_only=False, untangle=True)
Parameters:
  • untangle (bool) – True if the combgen untangle option should be used when enumerating structures, False if not
  • jobname (str) – The jobname for the panel. By default, the jobname is “cgenumerate”. jobname must be supplied if write_files_only is True and will be the name of the directory the files are written to and will also be the base name of the files in that directory.
  • write_files_only (bool) – If True, the files required to run the job will be written and the enumeration_files_written signal will be emitted. If False, the enumeration job will be launched and the job_submitted signal will be emitted. The default is False.
postLaunch(job)

Called when the job is launched. Closes the panel.

schrodinger.application.combiglide.combenumdock.random() → x in the interval [0, 1).