schrodinger.ui.qt.forcefield module¶
Contains Force Field selector widgets
-
schrodinger.ui.qt.forcefield.
get_pref_with_fallback
(key, opt)[source]¶ This mimics prefs.get, except will try to look it up from a default dictionary if the preferences hasn’t been set yet.
See comment above about SHARED-2705 for more details.
- Parameters
key (mmpref key) – The key we’re looking up the preference for.
opt (bool/None/int) – Optional argument when looking up key
-
schrodinger.ui.qt.forcefield.
has_valid_custom_OPLS_preference
()[source]¶ - Returns
whether the custom OPLS directory is a valid S-OPLS path
- Return type
bool
-
class
schrodinger.ui.qt.forcefield.
OPLSDirResult
(value)[source]¶ Bases:
enum.IntEnum
Return object for validate_opls_dir function
-
ABORT
= 0¶
-
VALID
= 1¶
-
DEFAULT
= 2¶
-
-
class
schrodinger.ui.qt.forcefield.
OPLSValidator
(parent: PyQt5.QtWidgets.QWidget)[source]¶ Bases:
object
Validates OPLS-related settings. Meant for use by GUIs that may need to block other code while performing validation.
-
INCOMPATIBLE_PARAMS_MSG
= '<html><p>Your customizations\n <a style="text-decoration:none;color:#3D3DF9;" href="opls_path">(path)</a>\n are either unavailable or incompatible with the OPLS4 force\n field currently in use in Schrödinger suite. New custom parameters are\n needed to accurately model your structures.</p>\n <p>You may run this job without customizations, but we recommend\n that you cancel now and generate the new parameters. Use the Force\n Field Builder, available from a Customize button on your panel or\n from the Task Tool.</p>'¶
-
__init__
(parent: PyQt5.QtWidgets.QWidget)[source]¶ - Variables
parent (QWidget) – The parent object from which to display messageboxes
-
property
validating
¶ Return whether or not the validator is currently performing validation.
-
validateOPLSDir
(opls_dir: Optional[str] = None, allow_default_dialog: bool = True) → schrodinger.ui.qt.forcefield.OPLSDirResult[source]¶ Return validation results of OPLS_DIR. If invalid, attempt to update the OPLS_DIR. If invalid and can’t update OPLS_DIR, optionally prompt
ValidateOplsDirMessageBox
. See validate_opls_dir() for full documentation.- Parameters
opls_dir – Path to the custom OPLS directory. Use to avoid calling get_custom_opls_dir() twice in the event that the function is already called outside of this method. If not given or
None
the validation will be done for the user’s preferences custom OPLS directory.allow_default_dialog – whether the user may be presented with the dialog allowing them to run with the default OPLS dir.
-
-
class
schrodinger.ui.qt.forcefield.
ForceFieldSelector
(layout=None, show_when_no_choice=False, parent=None, stretch=True, add_customize_force_field=True)[source]¶ Bases:
PyQt5.QtWidgets.QFrame
-
TOOLTIP
= '\n The specified customizations are either unavailable or\n incompatible with the OPLS4 force field. New custom\n parameters are needed to accurately model your structures.\n\n This job may run without customizations, but we do not\n recommend it. Use the Force Field Builder, available from\n a Customize button on your panel or from the Task Tool.\n '¶
-
STYLE
= '\n QCheckBox {color:#aa6d09;}\n QCheckBox QToolTip {color:#444444; border-width:1px; border-style:solid; border-color:#aa6d09; border-radius:4px; background-color:#FDF8E7;}\n QLabel QToolTip {color:#444444; border-width:1px; border-style:solid; border-color:#aa6d09; border-radius:4px; background-color:#FDF8E7;}\n '¶
-
__init__
(layout=None, show_when_no_choice=False, parent=None, stretch=True, add_customize_force_field=True)[source]¶ Initialize the force field selector widget
- Parameters
layout (
PyQt5.QtWidgets.QLayout
) – The layout to add this widget toshow_when_no_choice (bool) – Whether to show the ffs even if the user has no choice of force fields
parent (
PyQt5.QtWidgets.QWidget
) – The Qt parentstretch (bool) – If layout is supplied, the default behavior is to add a stretch to the layout after this Frame is added to it. Setting stretch to False prevents the stretch from being added to the layout. It has no effect if layout is not provided.
add_customize_force_field (bool) – Whether or not to add the customize force field widgets.
-
layout
(self) → QLayout¶
-
event
(e)[source]¶ Handle the window activation.
- Parameters
e – the event object
- Return type
QTCore.QEvent
-
property
has_valid_opls_dir
¶ Checks whether Maestro preferences point to a valid S-OPLS directory.
- Returns
whether the OPLS dir is valid
- Return type
bool
-
getSelectionForceField
(index: Optional[int] = None) → str[source]¶ Return the string representation of the selected force field. If index is passed, the force field name at that index is returned. Because Maestro panels using this selector set options based on the common OPLS names, extracted names are regularized to be compatible.
- Parameters
index – combo box index
- Returns
the name corresponding to the selected force field
-
setSelectionForceField
(force_field_int)[source]¶ Set the force_field_menu’s current text to the name matching the force field int. Will raise a key error if the int does not correspond to a possible selection and a value error if the int does not correspond to an available selection.
:param force_field_int the integer corresponding to the force field :type force_field int :return: None
-
getSelectionForceFieldInt
()[source]¶ Return the integer representation of the current force field. For names without mappable integers (i.e. those loaded by the MaestroForceFieldSelector) -1 is returned.
- Return type
int
-
getCustomOPLSDIR
()[source]¶ Return OPLSDIR suitable for passing to jobcontrol through -OPLSDIR or None if usage of a custom directory is not selected.
- Return type
str
- Returns
string of OPLS dir or None custom forcefield not selected
-
sanitizeCustomOPLSDir
(allow_default_dialog=True)[source]¶ Sanitize the custom OPLS directory if a custom OPLS dir is used.
If a custom OPLS directory is used that is not acceptable a dialog will be presented to allow the user to abort, or use the default parameters, see also
validate_opls_dir
.Note: A side-effect of this method call is that the custom force field checkbox may be unchecked. This means that
self.getCustomOPLSDir()
has to be called (again) if this method returns True in order to determine what the actual opls directory is that should be used.- Parameters
allow_default_dialog (bool) – whether the user may be presented with the dialog allowing them to run with the default OPLS dir.
- Returns
False if the custom OPLS dir choice is not acceptable. True in all other cases
- Return type
bool
-
Box
= 1¶
-
DrawChildren
= 2¶
-
DrawWindowBackground
= 1¶
-
HLine
= 4¶
-
IgnoreMask
= 4¶
-
NoFrame
= 0¶
-
class
PaintDeviceMetric
¶ Bases:
int
-
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
-
class
RenderFlags
¶ Bases:
sip.simplewrapper
QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)
-
__init__
(*args, **kwargs)¶ Initialize self. See help(type(self)) for accurate signature.
-
-
class
Shadow
¶ Bases:
int
-
Shadow_Mask
= 240¶
-
class
Shape
¶ Bases:
int
-
Shape_Mask
= 15¶
-
class
StyleMask
¶ Bases:
int
-
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)¶
-
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¶
-
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¶
-
ForceFieldSelector.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)¶
-
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¶
-
ForceFieldSelector.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)¶
-
ForceFieldSelector.setBaseSize(self, int, int)
setBaseSize(self, QSize)
-
ForceFieldSelector.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)¶
-
ForceFieldSelector.setMaximumSize(self, int, int)
setMaximumSize(self, QSize)
-
setMaximumWidth
(self, int)¶
-
setMidLineWidth
(self, int)¶
-
setMinimumHeight
(self, int)¶
-
ForceFieldSelector.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)¶
-
ForceFieldSelector.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)¶
-
ForceFieldSelector.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)¶
-
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)¶
-
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.ui.qt.forcefield.
ForceFieldSelectorUi
(parent=None)[source]¶ Bases:
schrodinger.ui.qt.forcefield.ForceFieldSelector
A forcefield selector that accepts the standard QFrame initialization arguments so it can be used directly in Qt Designer by promoting a QFrame.
-
__init__
(parent=None)[source]¶ Initialize the force field selector widget
- Parameters
layout (
PyQt5.QtWidgets.QLayout
) – The layout to add this widget toshow_when_no_choice (bool) – Whether to show the ffs even if the user has no choice of force fields
parent (
PyQt5.QtWidgets.QWidget
) – The Qt parentstretch (bool) – If layout is supplied, the default behavior is to add a stretch to the layout after this Frame is added to it. Setting stretch to False prevents the stretch from being added to the layout. It has no effect if layout is not provided.
add_customize_force_field (bool) – Whether or not to add the customize force field widgets.
-
Box
= 1¶
-
DrawChildren
= 2¶
-
DrawWindowBackground
= 1¶
-
HLine
= 4¶
-
IgnoreMask
= 4¶
-
NoFrame
= 0¶
-
class
PaintDeviceMetric
¶ Bases:
int
-
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
-
class
RenderFlags
¶ Bases:
sip.simplewrapper
QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)
-
__init__
(*args, **kwargs)¶ Initialize self. See help(type(self)) for accurate signature.
-
-
STYLE
= '\n QCheckBox {color:#aa6d09;}\n QCheckBox QToolTip {color:#444444; border-width:1px; border-style:solid; border-color:#aa6d09; border-radius:4px; background-color:#FDF8E7;}\n QLabel QToolTip {color:#444444; border-width:1px; border-style:solid; border-color:#aa6d09; border-radius:4px; background-color:#FDF8E7;}\n '¶
-
class
Shadow
¶ Bases:
int
-
Shadow_Mask
= 240¶
-
class
Shape
¶ Bases:
int
-
Shape_Mask
= 15¶
-
class
StyleMask
¶ Bases:
int
-
StyledPanel
= 6¶
-
Sunken
= 48¶
-
TOOLTIP
= '\n The specified customizations are either unavailable or\n incompatible with the OPLS4 force field. New custom\n parameters are needed to accurately model your structures.\n\n This job may run without customizations, but we do not\n recommend it. Use the Force Field Builder, available from\n a Customize button on your panel or from the Task Tool.\n '¶
-
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
(e)¶ Handle the window activation.
- Parameters
e – the event object
- Return type
QTCore.QEvent
-
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]¶
-
getCustomOPLSDIR
()¶ Return OPLSDIR suitable for passing to jobcontrol through -OPLSDIR or None if usage of a custom directory is not selected.
- Return type
str
- Returns
string of OPLS dir or None custom forcefield not selected
-
getSelectionForceField
(index: Optional[int] = None) → str¶ Return the string representation of the selected force field. If index is passed, the force field name at that index is returned. Because Maestro panels using this selector set options based on the common OPLS names, extracted names are regularized to be compatible.
- Parameters
index – combo box index
- Returns
the name corresponding to the selected force field
-
getSelectionForceFieldInt
()¶ Return the integer representation of the current force field. For names without mappable integers (i.e. those loaded by the MaestroForceFieldSelector) -1 is returned.
- Return type
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¶
-
property
has_valid_opls_dir
¶ Checks whether Maestro preferences point to a valid S-OPLS directory.
- Returns
whether the OPLS dir is valid
- Return type
bool
-
height
(self) → int¶
-
heightForWidth
(self, int) → int¶
-
heightMM
(self) → int¶
-
hide
()¶ Hide all the children of the QFrame object and then hide the QFrame itself.
-
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¶
-
ForceFieldSelectorUi.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¶
-
sanitizeCustomOPLSDir
(allow_default_dialog=True)¶ Sanitize the custom OPLS directory if a custom OPLS dir is used.
If a custom OPLS directory is used that is not acceptable a dialog will be presented to allow the user to abort, or use the default parameters, see also
validate_opls_dir
.Note: A side-effect of this method call is that the custom force field checkbox may be unchecked. This means that
self.getCustomOPLSDir()
has to be called (again) if this method returns True in order to determine what the actual opls directory is that should be used.- Parameters
allow_default_dialog (bool) – whether the user may be presented with the dialog allowing them to run with the default OPLS dir.
- Returns
False if the custom OPLS dir choice is not acceptable. True in all other cases
- Return type
bool
-
saveGeometry
(self) → QByteArray¶
-
ForceFieldSelectorUi.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)¶
-
ForceFieldSelectorUi.setBaseSize(self, int, int)
setBaseSize(self, QSize)
-
ForceFieldSelectorUi.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)¶
-
ForceFieldSelectorUi.setMaximumSize(self, int, int)
setMaximumSize(self, QSize)
-
setMaximumWidth
(self, int)¶
-
setMidLineWidth
(self, int)¶
-
setMinimumHeight
(self, int)¶
-
ForceFieldSelectorUi.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¶
-
setSelectionForceField
(force_field_int)¶ Set the force_field_menu’s current text to the name matching the force field int. Will raise a key error if the int does not correspond to a possible selection and a value error if the int does not correspond to an available selection.
:param force_field_int the integer corresponding to the force field :type force_field int :return: None
-
setShortcutAutoRepeat
(self, int, enabled: bool = True)¶
-
setShortcutEnabled
(self, int, enabled: bool = True)¶
-
ForceFieldSelectorUi.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)¶
-
ForceFieldSelectorUi.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)¶
-
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
()¶ Synchronize the maestro preferences with the selector.
-
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.ui.qt.forcefield.
MacrocycleForceFieldSelector
(layout=None, show_when_no_choice=False, parent=None, stretch=True, add_customize_force_field=True)[source]¶ Bases:
schrodinger.ui.qt.forcefield.ForceFieldSelector
A forcefield widget that contains an entry for MMFFs
-
Box
= 1¶
-
DrawChildren
= 2¶
-
DrawWindowBackground
= 1¶
-
HLine
= 4¶
-
IgnoreMask
= 4¶
-
NoFrame
= 0¶
-
class
PaintDeviceMetric
¶ Bases:
int
-
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
-
class
RenderFlags
¶ Bases:
sip.simplewrapper
QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)
-
__init__
(*args, **kwargs)¶ Initialize self. See help(type(self)) for accurate signature.
-
-
STYLE
= '\n QCheckBox {color:#aa6d09;}\n QCheckBox QToolTip {color:#444444; border-width:1px; border-style:solid; border-color:#aa6d09; border-radius:4px; background-color:#FDF8E7;}\n QLabel QToolTip {color:#444444; border-width:1px; border-style:solid; border-color:#aa6d09; border-radius:4px; background-color:#FDF8E7;}\n '¶
-
class
Shadow
¶ Bases:
int
-
Shadow_Mask
= 240¶
-
class
Shape
¶ Bases:
int
-
Shape_Mask
= 15¶
-
class
StyleMask
¶ Bases:
int
-
StyledPanel
= 6¶
-
Sunken
= 48¶
-
TOOLTIP
= '\n The specified customizations are either unavailable or\n incompatible with the OPLS4 force field. New custom\n parameters are needed to accurately model your structures.\n\n This job may run without customizations, but we do not\n recommend it. Use the Force Field Builder, available from\n a Customize button on your panel or from the Task Tool.\n '¶
-
VLine
= 5¶
-
WinPanel
= 3¶
-
__init__
(layout=None, show_when_no_choice=False, parent=None, stretch=True, add_customize_force_field=True)¶ Initialize the force field selector widget
- Parameters
layout (
PyQt5.QtWidgets.QLayout
) – The layout to add this widget toshow_when_no_choice (bool) – Whether to show the ffs even if the user has no choice of force fields
parent (
PyQt5.QtWidgets.QWidget
) – The Qt parentstretch (bool) – If layout is supplied, the default behavior is to add a stretch to the layout after this Frame is added to it. Setting stretch to False prevents the stretch from being added to the layout. It has no effect if layout is not provided.
add_customize_force_field (bool) – Whether or not to add the customize force field widgets.
-
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
(e)¶ Handle the window activation.
- Parameters
e – the event object
- Return type
QTCore.QEvent
-
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]¶
-
getCustomOPLSDIR
()¶ Return OPLSDIR suitable for passing to jobcontrol through -OPLSDIR or None if usage of a custom directory is not selected.
- Return type
str
- Returns
string of OPLS dir or None custom forcefield not selected
-
getSelectionForceField
(index: Optional[int] = None) → str¶ Return the string representation of the selected force field. If index is passed, the force field name at that index is returned. Because Maestro panels using this selector set options based on the common OPLS names, extracted names are regularized to be compatible.
- Parameters
index – combo box index
- Returns
the name corresponding to the selected force field
-
getSelectionForceFieldInt
()¶ Return the integer representation of the current force field. For names without mappable integers (i.e. those loaded by the MaestroForceFieldSelector) -1 is returned.
- Return type
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¶
-
property
has_valid_opls_dir
¶ Checks whether Maestro preferences point to a valid S-OPLS directory.
- Returns
whether the OPLS dir is valid
- Return type
bool
-
height
(self) → int¶
-
heightForWidth
(self, int) → int¶
-
heightMM
(self) → int¶
-
hide
()¶ Hide all the children of the QFrame object and then hide the QFrame itself.
-
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¶
-
MacrocycleForceFieldSelector.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¶
-
sanitizeCustomOPLSDir
(allow_default_dialog=True)¶ Sanitize the custom OPLS directory if a custom OPLS dir is used.
If a custom OPLS directory is used that is not acceptable a dialog will be presented to allow the user to abort, or use the default parameters, see also
validate_opls_dir
.Note: A side-effect of this method call is that the custom force field checkbox may be unchecked. This means that
self.getCustomOPLSDir()
has to be called (again) if this method returns True in order to determine what the actual opls directory is that should be used.- Parameters
allow_default_dialog (bool) – whether the user may be presented with the dialog allowing them to run with the default OPLS dir.
- Returns
False if the custom OPLS dir choice is not acceptable. True in all other cases
- Return type
bool
-
saveGeometry
(self) → QByteArray¶
-
MacrocycleForceFieldSelector.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)¶
-
MacrocycleForceFieldSelector.setBaseSize(self, int, int)
setBaseSize(self, QSize)
-
MacrocycleForceFieldSelector.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)¶
-
MacrocycleForceFieldSelector.setMaximumSize(self, int, int)
setMaximumSize(self, QSize)
-
setMaximumWidth
(self, int)¶
-
setMidLineWidth
(self, int)¶
-
setMinimumHeight
(self, int)¶
-
MacrocycleForceFieldSelector.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¶
-
setSelectionForceField
(force_field_int)¶ Set the force_field_menu’s current text to the name matching the force field int. Will raise a key error if the int does not correspond to a possible selection and a value error if the int does not correspond to an available selection.
:param force_field_int the integer corresponding to the force field :type force_field int :return: None
-
setShortcutAutoRepeat
(self, int, enabled: bool = True)¶
-
setShortcutEnabled
(self, int, enabled: bool = True)¶
-
MacrocycleForceFieldSelector.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)¶
-
MacrocycleForceFieldSelector.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)¶
-
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
()¶ Synchronize the maestro preferences with the selector.
-
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.ui.qt.forcefield.
ffComboBox
(text, **kwargs)[source]¶ Bases:
schrodinger.ui.qt.swidgets.SLabeledComboBox
-
showEvent
(event)[source]¶ Override show event to update the default value in case the user has updated maestro preferences.
-
AdjustToContents
= 0¶
-
AdjustToContentsOnFirstShow
= 1¶
-
AdjustToMinimumContentsLength
= 2¶
-
AdjustToMinimumContentsLengthWithIcon
= 3¶
-
DrawChildren
= 2¶
-
DrawWindowBackground
= 1¶
-
IgnoreMask
= 4¶
-
InsertAfterCurrent
= 4¶
-
InsertAlphabetically
= 6¶
-
InsertAtBottom
= 3¶
-
InsertAtCurrent
= 2¶
-
InsertAtTop
= 1¶
-
InsertBeforeCurrent
= 5¶
-
class
InsertPolicy
¶ Bases:
int
-
NoInsert
= 0¶
-
class
PaintDeviceMetric
¶ Bases:
int
-
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
-
class
RenderFlags
¶ Bases:
sip.simplewrapper
QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)
-
__init__
(*args, **kwargs)¶ Initialize self. See help(type(self)) for accurate signature.
-
-
class
SizeAdjustPolicy
¶ Bases:
int
-
__init__
(text, **kwargs)¶ Create a SLabledComboBox instance
- Parameters
text (str) – The text of the label
side (str) – ‘left’ if the label should appear to the left of the ComboBox (default), or ‘top’ if the label should appear above it
stretch (bool) – Whether to put a stretch after the ComboBox (or after the after_label). Default is True, even if side=’top’.
after_label (str) – Label text to put after the ComboBox - default is None
items (list) – list of items (str) to be added to the ComboBox
default_item (str) – text of the item to select initially and upon reset
default_index (int) – the index of the item to select initially and upon reset. default_item overrides this parameter.
command (callable) – The slot to connect to the currentIndexChanged[str] signal. This command will be called when the default item is selected during initialization unless nocall=True.
nocall (bool) – True if command should not be called during initialization, False otherwise
layout (QLayout) – layout to place the LabeledEdit in
tip (str) – The tooltip for the labels and combobox
itemdict (
collections.OrderedDict
) – An OrderedDictionary with ComboBox items as keys and data as values. The data for the current ComboBox item is returned by the currentData method. If both items and itemdict are given, items are added first.
-
__len__
()¶ Return len(self).
-
acceptDrops
(self) → bool¶
-
accessibleDescription
(self) → str¶
-
accessibleName
(self) → str¶
-
actionEvent
(self, QActionEvent)¶
-
actions
(self) → List[QAction]¶
-
activateWindow
(self)¶
-
activated
¶ activated(self, int) [signal] activated(self, str) [signal]
-
addAction
(text, callback)¶ Add an “action” menu item. When selected by the user, it will invoke the callback and re-select the previously selected item.
-
addActions
(self, Iterable[QAction])¶
-
addItem
(*args, **kwargs)¶ Add given items and emit signals as needed.
-
addItems
(*args, **kwargs)¶ Add given items and emit signals as needed.
-
addItemsFromDict
(items)¶ Add items to the combo box from a dictionary of {text: user_data}. Note that setting the order of elements requires a
collections.OrderedDict
- Parameters
items (dict) – A dictionary of {text: user_data} to add to the combo box
-
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¶
-
clear
(self)¶
-
clearEditText
(self)¶
-
clearFocus
(self)¶
-
clearMask
(self)¶
-
close
(self) → bool¶
-
closeEvent
(self, QCloseEvent)¶
-
colorCount
(self) → int¶
-
completer
(self) → QCompleter¶
-
connectNotify
(self, QMetaMethod)¶
-
contentsMargins
(self) → QMargins¶
-
contentsRect
(self) → QRect¶
-
contextMenuEvent
(self, QContextMenuEvent)¶
-
contextMenuPolicy
(self) → Qt.ContextMenuPolicy¶
-
count
(self) → int¶
-
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¶
-
currentData
(role=256)¶ Get the user data for the currently selected item
- Parameters
role (int) – The role to retrieve data for
- Returns
The user data
-
currentIndex
(self) → int¶
-
currentIndexChanged
¶
-
currentString
()¶ Obsolete. Use QComboBox.currentText() instead.
- Return type
str
- Returns
The currentText() value of the ComboBox converted to a string
-
currentText
(self) → str¶
-
currentTextChanged
¶ currentTextChanged(self, str) [signal]
-
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)¶
-
duplicatesEnabled
(self) → bool¶
-
dynamicPropertyNames
(self) → List[QByteArray]¶
-
editTextChanged
¶ editTextChanged(self, str) [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]
-
findData
(self, Any, role: int = Qt.UserRole, flags: Union[Qt.MatchFlags, Qt.MatchFlag] = Qt.MatchExactly | Qt.MatchCaseSensitive) → int¶
-
findDataPy
(data, role=256)¶ Get the index of the item containing the specified data. Comparisons are done in Python rather than in C++ (as they are in
findData
), so Python types without a direct C++ mapping can be compared correctly.- Parameters
data (object) – The data to search for
role (int) – The role to search
- Raises
ValueError – If the specified data cannot be found
-
findText
(self, str, flags: Union[Qt.MatchFlags, Qt.MatchFlag] = Qt.MatchExactly | Qt.MatchCaseSensitive) → int¶
-
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¶
-
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)¶
-
hidePopup
(self)¶
-
highlighted
¶ highlighted(self, int) [signal] highlighted(self, str) [signal]
-
iconSize
(self) → QSize¶
-
inherits
(self, str) → bool¶
-
initPainter
(self, QPainter)¶
-
initStyleOption
(self, QStyleOptionComboBox)¶
-
inputMethodEvent
(self, QInputMethodEvent)¶
-
inputMethodHints
(self) → Qt.InputMethodHints¶
-
inputMethodQuery
(self, Qt.InputMethodQuery) → Any¶ inputMethodQuery(self, Qt.InputMethodQuery, Any) -> Any
-
ffComboBox.insertAction(self, QAction, QAction)
-
insertActions
(self, QAction, Iterable[QAction])¶
-
insertItem
(self, int, str, userData: Any = None)¶ insertItem(self, int, QIcon, str, userData: Any = None)
-
insertItems
(self, int, Iterable[str])¶
-
insertPolicy
(self) → QComboBox.InsertPolicy¶
-
insertSeparator
(self, int)¶
-
installEventFilter
(self, QObject)¶
-
isActiveWindow
(self) → bool¶
-
isAncestorOf
(self, QWidget) → bool¶
-
isEditable
(self) → 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¶
-
itemData
(self, int, role: int = Qt.UserRole) → Any¶
-
itemDelegate
(self) → QAbstractItemDelegate¶
-
itemIcon
(self, int) → QIcon¶
-
itemText
(self, int) → str¶
-
items
()¶ Return the current list of items in the combo box.
- Return type
list
- Returns
the current list of items
-
keyPressEvent
(event)¶ Ignore Up/Down key press events if any action items are present. In the future, consider re-implementing these handlers; it’s a non- trivial task. See http://code.metager.de/source/xref/lib/qt/src/gui/widgets/qcombobox.cpp#2931
-
keyReleaseEvent
(self, QKeyEvent)¶
-
keyboardGrabber
() → QWidget¶
-
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¶
-
maxCount
(self) → int¶
-
maxVisibleItems
(self) → int¶
-
maximumHeight
(self) → int¶
-
maximumSize
(self) → QSize¶
-
maximumWidth
(self) → int¶
-
metaObject
(self) → QMetaObject¶
-
metric
(self, QPaintDevice.PaintDeviceMetric) → int¶
-
minimumContentsLength
(self) → int¶
-
minimumHeight
(self) → int¶
-
minimumSize
(self) → QSize¶
-
minimumSizeHint
(self) → QSize¶
-
minimumWidth
(self) → int¶
-
model
(self) → QAbstractItemModel¶
-
modelColumn
(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)¶
-
removeItem
(self, int)¶
-
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
()¶ Reset the labels and ComboBox to their default values
-
resize
(self, QSize)¶ resize(self, int, int)
-
resizeEvent
(self, QResizeEvent)¶
-
restoreGeometry
(self, Union[QByteArray, bytes, bytearray]) → bool¶
-
rootModelIndex
(self) → QModelIndex¶
-
saveGeometry
(self) → QByteArray¶
-
ffComboBox.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)¶
-
ffComboBox.setBaseSize(self, int, int)
setBaseSize(self, QSize)
-
setCompleter
(self, QCompleter)¶
-
ffComboBox.setContentsMargins(self, int, int, int, int)
setContentsMargins(self, QMargins)
-
setContextMenuPolicy
(self, Qt.ContextMenuPolicy)¶
-
setCurrentData
(data, role=256)¶ Select the index with the specified user data
- Parameters
text – The user data to select
role (int) – The role to search
- Raises
ValueError – If the specified data is not found in the combo box
-
setCurrentIndex
(self, int)¶
-
setCurrentText
(text)¶ Set the combobox to the item with the supplied text
- Parameters
text (str) – The text of the item to make the current item
- Raise
ValueError if no item with text exists
-
setCursor
(self, Union[QCursor, Qt.CursorShape])¶
-
setDisabled
(self, bool)¶
-
setDuplicatesEnabled
(self, bool)¶
-
setEditText
(self, str)¶
-
setEditable
(self, bool)¶
-
setEnabled
(state)¶ Set all child widgets to enabled state of state
- Parameters
state (bool) – True if widgets should be enabled, False if not
-
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)¶
-
setHidden
(self, bool)¶
-
setIconSize
(self, QSize)¶
-
setInputMethodHints
(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])¶
-
setInsertPolicy
(self, QComboBox.InsertPolicy)¶
-
setItemData
(self, int, Any, role: int = Qt.UserRole)¶
-
setItemDelegate
(self, QAbstractItemDelegate)¶
-
setItemIcon
(self, int, QIcon)¶
-
setItemText
(self, int, str)¶
-
setLayout
(self, QLayout)¶
-
setLayoutDirection
(self, Qt.LayoutDirection)¶
-
setLineEdit
(self, QLineEdit)¶
-
setLocale
(self, QLocale)¶
-
setMask
(self, QBitmap)¶ setMask(self, QRegion)
-
setMaxCount
(self, int)¶
-
setMaxVisibleItems
(self, int)¶
-
setMaximumHeight
(self, int)¶
-
ffComboBox.setMaximumSize(self, int, int)
setMaximumSize(self, QSize)
-
setMaximumWidth
(self, int)¶
-
setMinimumContentsLength
(self, int)¶
-
setMinimumHeight
(self, int)¶
-
ffComboBox.setMinimumSize(self, int, int)
setMinimumSize(self, QSize)
-
setMinimumWidth
(self, int)¶
-
setModel
(self, QAbstractItemModel)¶
-
setModelColumn
(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¶
-
setRootModelIndex
(self, QModelIndex)¶
-
setShortcutAutoRepeat
(self, int, enabled: bool = True)¶
-
setShortcutEnabled
(self, int, enabled: bool = True)¶
-
setSizeAdjustPolicy
(self, QComboBox.SizeAdjustPolicy)¶
-
ffComboBox.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)¶
-
ffComboBox.setTabOrder(QWidget, QWidget)
-
setTabletTracking
(self, bool)¶
-
setToolTip
(self, str)¶
-
setToolTipDuration
(self, int)¶
-
setUpdatesEnabled
(self, bool)¶
-
setValidator
(self, QValidator)¶
-
setView
(self, QAbstractItemView)¶
-
setVisible
(state)¶ Set all child widgets to visible state of state
- Parameters
state (bool) – True if widgets should be visible, False if not
-
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)¶
-
show
(self)¶
-
showFullScreen
(self)¶
-
showMaximized
(self)¶
-
showMinimized
(self)¶
-
showNormal
(self)¶
-
showPopup
(self)¶
-
signalsBlocked
(self) → bool¶
-
size
(self) → QSize¶
-
sizeAdjustPolicy
(self) → QComboBox.SizeAdjustPolicy¶
-
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¶
-
validator
(self) → QValidator¶
-
view
(self) → QAbstractItemView¶
-
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.forcefield.
get_custom_opls_dir
()[source]¶ Returns the custom OPLS directory defined in maestro or mmpref. This is used to specify OPLS_DIR to the job launch process. This is not local to the individual panel.
Note: the path is not guaranteed to be a valid OPLS directory
- Return type
str
- Returns
path to custom OPLS dir
-
schrodinger.ui.qt.forcefield.
use_custom_opls_dir_preference
()[source]¶ If specified, sets the custom OPLSDIR Maestro preference into the env in a context managed scope.
-
schrodinger.ui.qt.forcefield.
get_opls_preference_maestro
()[source]¶ Returns default maestro OPLS preference. Raises a ValueError if maestro returns a value that is not compatible with this module. This is to ease addition, and testing maestro integer.
- Return type
int
- Returns
integer representation of forcefield
-
schrodinger.ui.qt.forcefield.
get_opls_preference_no_maestro
()[source]¶ Returns default maestro OPLS preference. Raises a ValueError if maestro returns a value that is not compatible with this module. This is to ease addition, and testing maestro integer.
- Return type
int
- Returns
integer representation of forcefield
-
schrodinger.ui.qt.forcefield.
get_use_custom_forcefield_preference_maestro
()[source]¶ Returns use custom forcefield maestro preference.
- Return type
bool
- Returns
True if use custom forcefield is set in maestro preferences
-
schrodinger.ui.qt.forcefield.
get_use_custom_forcefield_preference_no_maestro
()[source]¶ Returns use custom forcefield maestro preference.
- Return type
bool
- Returns
True if use custom forcefield is set in maestro preferences
-
class
schrodinger.ui.qt.forcefield.
ValidateOplsDirMessageBox
(opls_dir, parent=None, incompatible_params_msg='<html><p>Your customizations\n <a style="text-decoration:none;color:#3D3DF9;" href="opls_path">(path)</a>\n are either unavailable or incompatible with the OPLS4 force\n field currently in use in Schrödinger suite. New custom parameters are\n needed to accurately model your structures.</p>\n <p>You may run this job without customizations, but we recommend\n that you cancel now and generate the new parameters. Use the Force\n Field Builder, available from a Customize button on your panel or\n from the Task Tool.</p>')[source]¶ Bases:
schrodinger.ui.qt.messagebox.MessageBox
A message box allowing the user to cancel when the custom opls dir is not valid, or run with the default opls dir.
A check box exists to allow unset the Maestro preference for using the custom opls dir.
- Variables
-
TITLE
= 'Custom Parameters Incompatible'¶
-
CB_TEXT
= 'Do not show this message again'¶
-
__init__
(opls_dir, parent=None, incompatible_params_msg='<html><p>Your customizations\n <a style="text-decoration:none;color:#3D3DF9;" href="opls_path">(path)</a>\n are either unavailable or incompatible with the OPLS4 force\n field currently in use in Schrödinger suite. New custom parameters are\n needed to accurately model your structures.</p>\n <p>You may run this job without customizations, but we recommend\n that you cancel now and generate the new parameters. Use the Force\n Field Builder, available from a Customize button on your panel or\n from the Task Tool.</p>')[source]¶ - Parameters
parent (QtWidgets.QWidget) – the parent widget
title (str) – the dialog title
text (str) – the message
save_response_key (str or NoneType) –
When set, message box will show a “Do not show again” checkbox. The value provided will be used to generate a preference key. See
add_prefix_to_key
for more information on how the preference key is generated.The preference is only stored if the checkbox is checked. If it is unchecked, instead of storing a False, no preference is stored at all. This allows subclasses to make the distinction between saving a False response and not saving the response at all.
add_prefix_to_key –
Whether to prepend some basic context to the response_key (module_name, class_name*) in order to unique-ify the key. If set to False, the value provided for
save_response_key
will be used as-is, and the user is responsible for ensuring the key does not clash with any other preference keys.*If a parent is set for the messagebox, then the class name of parent will be used for
class_name
, otherwise the class name of the message box will be used.icon – the icon to show - see QMessageBox documentation for details
-
getResponse
()[source]¶ Override this method to specify the nature of the “response” to save. Here it is simply True, to indicate that the “Do not show this again” checkbox has been checked.
-
Abort
= 262144¶
-
AcceptRole
= 0¶
-
Accepted
= 1¶
-
ActionRole
= 3¶
-
Apply
= 33554432¶
-
ApplyRole
= 8¶
-
ButtonMask
= -769¶
-
class
ButtonRole
¶ Bases:
int
-
Cancel
= 4194304¶
-
Close
= 2097152¶
-
Critical
= 3¶
-
Default
= 256¶
-
DestructiveRole
= 2¶
-
class
DialogCode
¶ Bases:
int
-
Discard
= 8388608¶
-
DrawChildren
= 2¶
-
DrawWindowBackground
= 1¶
-
Escape
= 512¶
-
FirstButton
= 1024¶
-
FlagMask
= 768¶
-
Help
= 16777216¶
-
HelpRole
= 4¶
-
class
Icon
¶ Bases:
int
-
Ignore
= 1048576¶
-
IgnoreMask
= 4¶
-
Information
= 1¶
-
InvalidRole
= -1¶
-
LastButton
= 134217728¶
-
No
= 65536¶
-
NoAll
= 131072¶
-
NoButton
= 0¶
-
NoIcon
= 0¶
-
NoRole
= 6¶
-
NoToAll
= 131072¶
-
Ok
= 1024¶
-
Open
= 8192¶
-
class
PaintDeviceMetric
¶ Bases:
int
-
PdmDepth
= 6¶
-
PdmDevicePixelRatio
= 11¶
-
PdmDevicePixelRatioScaled
= 12¶
-
PdmDpiX
= 7¶
-
PdmDpiY
= 8¶
-
PdmHeight
= 2¶
-
PdmHeightMM
= 4¶
-
PdmNumColors
= 5¶
-
PdmPhysicalDpiX
= 9¶
-
PdmPhysicalDpiY
= 10¶
-
PdmWidth
= 1¶
-
PdmWidthMM
= 3¶
-
Question
= 4¶
-
RejectRole
= 1¶
-
Rejected
= 0¶
-
class
RenderFlag
¶ Bases:
int
-
class
RenderFlags
¶ Bases:
sip.simplewrapper
QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)
-
__init__
(*args, **kwargs)¶ Initialize self. See help(type(self)) for accurate signature.
-
-
Reset
= 67108864¶
-
ResetRole
= 7¶
-
RestoreDefaults
= 134217728¶
-
Retry
= 524288¶
-
STRINGED_RESPONSES
= {True: 'TRUE_RESPONSE', False: 'FALSE_RESPONSE', None: 'NONE_RESPONSE'}¶
-
Save
= 2048¶
-
SaveAll
= 4096¶
-
class
StandardButton
¶ Bases:
int
-
class
StandardButtons
¶ Bases:
sip.simplewrapper
QMessageBox.StandardButtons(Union[QMessageBox.StandardButtons, QMessageBox.StandardButton]) QMessageBox.StandardButtons(QMessageBox.StandardButtons)
-
__init__
(*args, **kwargs)¶ Initialize self. See help(type(self)) for accurate signature.
-
-
TYPED_RESPONSES
= {'FALSE_RESPONSE': False, 'NONE_RESPONSE': None, 'TRUE_RESPONSE': True}¶
-
Warning
= 2¶
-
Yes
= 16384¶
-
YesAll
= 32768¶
-
YesRole
= 5¶
-
YesToAll
= 32768¶
-
ValidateOplsDirMessageBox.about(QWidget, str, str)
-
aboutQt
(QWidget, title: str = '')¶
-
accept
(self)¶
-
acceptDrops
(self) → bool¶
-
accepted
¶ accepted(self) [signal]
-
accessibleDescription
(self) → str¶
-
accessibleName
(self) → str¶
-
actionEvent
(self, QActionEvent)¶
-
actions
(self) → List[QAction]¶
-
activateWindow
(self)¶
-
addAction
(self, QAction)¶
-
addActions
(self, Iterable[QAction])¶
-
addButton
(self, QAbstractButton, QMessageBox.ButtonRole)¶ addButton(self, str, QMessageBox.ButtonRole) -> QPushButton addButton(self, QMessageBox.StandardButton) -> QPushButton
-
adjustSize
(self)¶
-
autoFillBackground
(self) → bool¶
-
backgroundRole
(self) → QPalette.ColorRole¶
-
baseSize
(self) → QSize¶
-
blockSignals
(self, bool) → bool¶
buttonClicked(self, QAbstractButton) [signal]
-
changeEvent
(self, QEvent)¶
-
checkBox
(self) → QCheckBox¶
-
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)¶
-
clickedButton
(self) → QAbstractButton¶
-
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¶
-
ValidateOplsDirMessageBox.critical(QWidget, str, str, buttons: Union[QMessageBox.StandardButtons, QMessageBox.StandardButton] = QMessageBox.Ok, defaultButton: QMessageBox.StandardButton = QMessageBox.NoButton) -> QMessageBox.StandardButton
-
cursor
(self) → QCursor¶
-
customContextMenuRequested
¶ customContextMenuRequested(self, QPoint) [signal]
-
customEvent
(self, QEvent)¶
-
defaultButton
(self) → QPushButton¶
-
deleteLater
(self)¶
-
depth
(self) → int¶
-
destroy
(self, destroyWindow: bool = True, destroySubWindows: bool = True)¶
-
destroyed
¶ destroyed(self, object: QObject = None) [signal]
-
detailedText
(self) → str¶
-
devType
(self) → int¶
-
devicePixelRatio
(self) → int¶
-
devicePixelRatioF
(self) → float¶
-
devicePixelRatioFScale
() → float¶
-
disconnect
(self)¶
-
disconnectNotify
(self, QMetaMethod)¶
-
done
(self, int)¶
-
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)¶
-
escapeButton
(self) → QAbstractButton¶
-
event
(self, QEvent) → bool¶
-
eventFilter
(self, QObject, QEvent) → bool¶
-
exec
(self) → int¶
-
exec_
()¶ In Python3, exec is no longer a reserved word, so PyQt now provides
exec
wrappings of Qtexec
methods. Preservingexec_
for backwards compatibility.
-
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]
-
finished
¶ finished(self, int) [signal]
-
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¶
-
forgetResponse
()¶
-
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)¶
-
icon
(self) → QMessageBox.Icon¶
-
iconPixmap
(self) → QPixmap¶
-
ValidateOplsDirMessageBox.information(QWidget, str, str, buttons: Union[QMessageBox.StandardButtons, QMessageBox.StandardButton] = QMessageBox.Ok, defaultButton: QMessageBox.StandardButton = QMessageBox.NoButton) -> QMessageBox.StandardButton
-
informativeText
(self) → str¶
-
inherits
(self, str) → bool¶
-
initPainter
(self, QPainter)¶
-
inputMethodEvent
(self, QInputMethodEvent)¶
-
inputMethodHints
(self) → Qt.InputMethodHints¶
-
inputMethodQuery
(self, Qt.InputMethodQuery) → Any¶
-
ValidateOplsDirMessageBox.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¶
-
isSizeGripEnabled
(self) → 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]
-
open
(self)¶ open(self, PYQT_SLOT)
-
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.
-
ValidateOplsDirMessageBox.question(QWidget, str, str, buttons: Union[QMessageBox.StandardButtons, QMessageBox.StandardButton] = QMessageBox.StandardButtons(QMessageBox.Yes|QMessageBox.No), defaultButton: QMessageBox.StandardButton = QMessageBox.NoButton) -> QMessageBox.StandardButton
-
raise_
(self)¶
-
receivers
(self, PYQT_SIGNAL) → int¶
-
rect
(self) → QRect¶
-
reject
(self)¶
-
rejected
¶ rejected(self) [signal]
-
releaseKeyboard
(self)¶
-
releaseMouse
(self)¶
-
releaseShortcut
(self, int)¶
-
removeAction
(self, QAction)¶
-
removeButton
(self, QAbstractButton)¶
-
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¶
-
result
(self) → int¶
-
saveGeometry
(self) → QByteArray¶
-
ValidateOplsDirMessageBox.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)¶
-
ValidateOplsDirMessageBox.setBaseSize(self, int, int)
setBaseSize(self, QSize)
-
setCheckBox
(self, QCheckBox)¶
-
ValidateOplsDirMessageBox.setContentsMargins(self, int, int, int, int)
setContentsMargins(self, QMargins)
-
setContextMenuPolicy
(self, Qt.ContextMenuPolicy)¶
-
setCursor
(self, Union[QCursor, Qt.CursorShape])¶
-
setDefaultButton
(self, QPushButton)¶ setDefaultButton(self, QMessageBox.StandardButton)
-
setDetailedText
(self, str)¶
-
setDisabled
(self, bool)¶
-
setEnabled
(self, bool)¶
-
setEscapeButton
(self, QAbstractButton)¶ setEscapeButton(self, QMessageBox.StandardButton)
-
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)¶
-
setIcon
(self, QMessageBox.Icon)¶
-
setIconPixmap
(self, QPixmap)¶
-
setInformativeText
(self, str)¶
-
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)¶
-
ValidateOplsDirMessageBox.setMaximumSize(self, int, int)
setMaximumSize(self, QSize)
-
setMaximumWidth
(self, int)¶
-
setMinimumHeight
(self, int)¶
-
ValidateOplsDirMessageBox.setMinimumSize(self, int, int)
setMinimumSize(self, QSize)
-
setMinimumWidth
(self, int)¶
-
setModal
(self, bool)¶
-
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¶
-
setResult
(self, int)¶
-
setShortcutAutoRepeat
(self, int, enabled: bool = True)¶
-
setShortcutEnabled
(self, int, enabled: bool = True)¶
-
setSizeGripEnabled
(self, bool)¶
-
ValidateOplsDirMessageBox.setSizeIncrement(self, int, int)
setSizeIncrement(self, QSize)
-
setSizePolicy
(self, QSizePolicy)¶ setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy)
-
setStandardButtons
(self, Union[QMessageBox.StandardButtons, QMessageBox.StandardButton])¶
-
setStatusTip
(self, str)¶
-
setStyle
(self, QStyle)¶
-
setStyleSheet
(self, str)¶
-
ValidateOplsDirMessageBox.setTabOrder(QWidget, QWidget)
-
setTabletTracking
(self, bool)¶
-
setText
(self, str)¶
-
setTextFormat
(self, Qt.TextFormat)¶
-
setTextInteractionFlags
(self, Union[Qt.TextInteractionFlags, Qt.TextInteractionFlag])¶
-
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)¶
-
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)¶
-
standardButton
(self, QAbstractButton) → QMessageBox.StandardButton¶
-
standardButtons
(self) → QMessageBox.StandardButtons¶
-
standardIcon
(QMessageBox.Icon) → QPixmap¶
-
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¶
-
text
(self) → str¶
-
textFormat
(self) → Qt.TextFormat¶
-
textInteractionFlags
(self) → Qt.TextInteractionFlags¶
-
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¶
-
ValidateOplsDirMessageBox.warning(QWidget, str, str, buttons: Union[QMessageBox.StandardButtons, QMessageBox.StandardButton] = QMessageBox.Ok, defaultButton: QMessageBox.StandardButton = QMessageBox.NoButton) -> QMessageBox.StandardButton
-
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.forcefield.
validate_opls_dir
(opls_dir, parent=None, incompatible_params_msg='<html><p>Your customizations\n <a style="text-decoration:none;color:#3D3DF9;" href="opls_path">(path)</a>\n are either unavailable or incompatible with the OPLS4 force\n field currently in use in Schrödinger suite. New custom parameters are\n needed to accurately model your structures.</p>\n <p>You may run this job without customizations, but we recommend\n that you cancel now and generate the new parameters. Use the Force\n Field Builder, available from a Customize button on your panel or\n from the Task Tool.</p>', allow_default_dialog=True)[source]¶ Determine whether the automatically upgraded OPLS_DIR is valid.
Display a message box to inform the user whether an automatic upgrade was performed.
If the OPLS dir remains invalid and
allow_default_dialog
is True a dialog allowing the user to use the default OPLS dir is presented.- Parameters
opls_dir (str or None) – the opls directory path or None
parent (QtWidgets.QtWidget) – the QtWidget used to post dialogs
incompatible_params_msg (str) – the message to display when incompatible parameters are found. Default is for
ValidateOplsDirMessageBox
to use FFS_INCOMPATIBLE_PARAMS_MSG.allow_default_dialog (bool) – whether the user may be presented with the
ValidateOplsDirMessageBox
allowing them to run with the default OPLS dir.
- Returns
the validation result
- Return type
-
class
schrodinger.ui.qt.forcefield.
MaestroForceFieldSelector
(panel, mmod_ffoptions=None, *args, **kwargs)[source]¶ Bases:
schrodinger.ui.qt.forcefield.ForceFieldSelector
This class is intened to use only for Maestro cpp panels that uses force field selectors to set force field names
Signals emitted by this class.
- Variables
forcefieldOptionChanged – Signal emitted when the force field selection is changed. Emitted with: - the current selection of force field - the cpp panel name in which the selector is embedded
useCustomforceFieldToggled – Signal emitted when ‘Use custom force field’ toggle state is changed. Emitted with: - the cpp panel name in which the selector is embedded - the current toggle state
-
forcefieldOptionChanged
¶
-
useCustomForceFieldToggled
¶
-
__init__
(panel, mmod_ffoptions=None, *args, **kwargs)[source]¶ Initialize the Maestro force field selector widget
- Parameters
panel (str) – is the cpp panel name (used with showpanel command in Maestro)
mmod_ffoptions – the list of forcefield names supported by macromodel
cpp panel :type mmod_ffoptions: list or None
-
setForceField
(name: str)[source]¶ Set the force_field_menu’s current text to the name matching the force field name. Because Maestro panels using this selector set with values based on the common OPLS names, they must be translated to available display names.
- Parameters
name – the name corresponding to the force field
-
getForceFieldOptions
() → List[str][source]¶ Obtain names for all available force field choices in the selector. Because Maestro panels using this selector set options based on the common OPLS names, extracted names are regularized to be compatible.
- Returns
all available combo box options
-
Box
= 1¶
-
DrawChildren
= 2¶
-
DrawWindowBackground
= 1¶
-
HLine
= 4¶
-
IgnoreMask
= 4¶
-
NoFrame
= 0¶
-
class
PaintDeviceMetric
¶ Bases:
int
-
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
-
class
RenderFlags
¶ Bases:
sip.simplewrapper
QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)
-
__init__
(*args, **kwargs)¶ Initialize self. See help(type(self)) for accurate signature.
-
-
STYLE
= '\n QCheckBox {color:#aa6d09;}\n QCheckBox QToolTip {color:#444444; border-width:1px; border-style:solid; border-color:#aa6d09; border-radius:4px; background-color:#FDF8E7;}\n QLabel QToolTip {color:#444444; border-width:1px; border-style:solid; border-color:#aa6d09; border-radius:4px; background-color:#FDF8E7;}\n '¶
-
class
Shadow
¶ Bases:
int
-
Shadow_Mask
= 240¶
-
class
Shape
¶ Bases:
int
-
Shape_Mask
= 15¶
-
class
StyleMask
¶ Bases:
int
-
StyledPanel
= 6¶
-
Sunken
= 48¶
-
TOOLTIP
= '\n The specified customizations are either unavailable or\n incompatible with the OPLS4 force field. New custom\n parameters are needed to accurately model your structures.\n\n This job may run without customizations, but we do not\n recommend it. Use the Force Field Builder, available from\n a Customize button on your panel or from the Task Tool.\n '¶
-
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
(e)¶ Handle the window activation.
- Parameters
e – the event object
- Return type
QTCore.QEvent
-
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]¶
-
getCustomOPLSDIR
()¶ Return OPLSDIR suitable for passing to jobcontrol through -OPLSDIR or None if usage of a custom directory is not selected.
- Return type
str
- Returns
string of OPLS dir or None custom forcefield not selected
-
getSelectionForceField
(index: Optional[int] = None) → str¶ Return the string representation of the selected force field. If index is passed, the force field name at that index is returned. Because Maestro panels using this selector set options based on the common OPLS names, extracted names are regularized to be compatible.
- Parameters
index – combo box index
- Returns
the name corresponding to the selected force field
-
getSelectionForceFieldInt
()¶ Return the integer representation of the current force field. For names without mappable integers (i.e. those loaded by the MaestroForceFieldSelector) -1 is returned.
- Return type
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¶
-
property
has_valid_opls_dir
¶ Checks whether Maestro preferences point to a valid S-OPLS directory.
- Returns
whether the OPLS dir is valid
- Return type
bool
-
height
(self) → int¶
-
heightForWidth
(self, int) → int¶
-
heightMM
(self) → int¶
-
hide
()¶ Hide all the children of the QFrame object and then hide the QFrame itself.
-
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¶
-
MaestroForceFieldSelector.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¶
-
sanitizeCustomOPLSDir
(allow_default_dialog=True)¶ Sanitize the custom OPLS directory if a custom OPLS dir is used.
If a custom OPLS directory is used that is not acceptable a dialog will be presented to allow the user to abort, or use the default parameters, see also
validate_opls_dir
.Note: A side-effect of this method call is that the custom force field checkbox may be unchecked. This means that
self.getCustomOPLSDir()
has to be called (again) if this method returns True in order to determine what the actual opls directory is that should be used.- Parameters
allow_default_dialog (bool) – whether the user may be presented with the dialog allowing them to run with the default OPLS dir.
- Returns
False if the custom OPLS dir choice is not acceptable. True in all other cases
- Return type
bool
-
saveGeometry
(self) → QByteArray¶
-
MaestroForceFieldSelector.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)¶
-
MaestroForceFieldSelector.setBaseSize(self, int, int)
setBaseSize(self, QSize)
-
MaestroForceFieldSelector.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)¶
-
MaestroForceFieldSelector.setMaximumSize(self, int, int)
setMaximumSize(self, QSize)
-
setMaximumWidth
(self, int)¶
-
setMidLineWidth
(self, int)¶
-
setMinimumHeight
(self, int)¶
-
MaestroForceFieldSelector.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¶
-
setSelectionForceField
(force_field_int)¶ Set the force_field_menu’s current text to the name matching the force field int. Will raise a key error if the int does not correspond to a possible selection and a value error if the int does not correspond to an available selection.
:param force_field_int the integer corresponding to the force field :type force_field int :return: None
-
setShortcutAutoRepeat
(self, int, enabled: bool = True)¶
-
setShortcutEnabled
(self, int, enabled: bool = True)¶
-
MaestroForceFieldSelector.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)¶
-
MaestroForceFieldSelector.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)¶
-
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
()¶ Synchronize the maestro preferences with the selector.
-
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.forcefield.
get_maestro_forcefield_selector
(panel, default_opls, mmod_ffoptions, show_when_no_choice=False, add_customize_force_field=True)[source]¶ This function is called from Maestro. Creates an instance of the ‘MaestroForceFieldSelector’ widget and passes on the QWidget to Maestro via MaestroHub::setForceFieldSelectorWidget SIGNAL. Also hooks up the SIGNAL emitted from MaestroForceFieldSelector class to MaestroHub::emitffselectorOptionChanged Slot
See ForceFieldSelector for arguments documentation.
- Parameters
panel (str) – C++ panel name in which force field selector is embedded
default_opls – default force field option to select
mmod_ffoptions (list or None) – list of forcefield options supported by given mmod panel