schrodinger.ui.qt.forcefield.ffprojectsettingsdlg module

schrodinger.ui.qt.forcefield.ffprojectsettingsdlg.get_current_project_name()

Returns current project name if current project is a saved project else, return ‘Unsaved Project’ :return: current project name :rtype: str

class schrodinger.ui.qt.forcefield.ffprojectsettingsdlg.FFProjectSettingsDlg(parent, display_customize_btn=True)

Bases: PyQt6.QtWidgets.QDialog

Class to bring dialog for project settings for OPLS4 parameters. It offers user to change project specific override for custom OPLS parameters, with other options such as, setting project specific preference as global preference and clearing current project settings.

Note: Dialog can be opened outside of Maestro, but there is no option to update the global settings and the project settings are only valid for the active session.

Variables

MOST_RECENTLY_USED_LOCATIONS (list[str]) – used to store most recently used locations for custom opls parameters. Used to communicate recently used locations for project settings across various instances of this dialog.

MOST_RECENTLY_USED_LOCATIONS = []
__init__(parent, display_customize_btn=True)
Parameters
  • parent – is parent widget.

  • display_customize_btn – is set to True if Customize… button needs to be visible,False otherwise.

exec()

Method overridden to update UI of dialog before displaying it.

Accepted = 1
class DialogCode(value)

Bases: enum.IntEnum

An enumeration.

Rejected = 0
Accepted = 1
DrawChildren = 2
DrawWindowBackground = 1
IgnoreMask = 4
class PaintDeviceMetric(value)

Bases: enum.Enum

An enumeration.

PdmWidth = 1
PdmHeight = 2
PdmWidthMM = 3
PdmHeightMM = 4
PdmNumColors = 5
PdmDepth = 6
PdmDpiX = 7
PdmDpiY = 8
PdmPhysicalDpiX = 9
PdmPhysicalDpiY = 10
PdmDevicePixelRatio = 11
PdmDevicePixelRatioScaled = 12
PdmDepth = 6
PdmDevicePixelRatio = 11
PdmDevicePixelRatioScaled = 12
PdmDpiX = 7
PdmDpiY = 8
PdmHeight = 2
PdmHeightMM = 4
PdmNumColors = 5
PdmPhysicalDpiX = 9
PdmPhysicalDpiY = 10
PdmWidth = 1
PdmWidthMM = 3
Rejected = 0
class RenderFlag(value)

Bases: enum.Flag

An enumeration.

DrawWindowBackground = 1
DrawChildren = 2
IgnoreMask = 4
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])
adjustSize(self)
autoFillBackground(self) bool
backgroundRole(self) QPalette.ColorRole
baseSize(self) QSize
blockSignals(self, bool) bool
changeEvent(self, QEvent)
childAt(self, QPoint) QWidget
FFProjectSettingsDlg.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: PyQt6.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(QWindow, parent: QWidget = None, flags: Qt.WindowType = Qt.WindowFlags()) 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) float
devicePixelRatioF(self) float
devicePixelRatioFScale() float
disconnect(QMetaObject.Connection) bool
disconnect(self) None
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) PyQt6.sip.voidptr
ensurePolished(self)
enterEvent(self, QEnterEvent)
event(self, QEvent) bool
eventFilter(self, QObject, QEvent) bool
find(PyQt6.sip.voidptr) QWidget
findChild(self, type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) QObject
findChild(self, Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) QObject
findChildren(self, type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) List[QObject]
findChildren(self, Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) List[QObject]
findChildren(self, type, QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) List[QObject]
findChildren(self, Tuple, QRegularExpression, options: 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
frameGeometry(self) QRect
frameSize(self) QSize
geometry(self) QRect
grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(- 1, - 1))) QPixmap
grabGesture(self, Qt.GestureType, flags: Qt.GestureFlag = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)
grabMouse(self, Union[QCursor, Qt.CursorShape]) None
grabShortcut(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) int
graphicsEffect(self) QGraphicsEffect
graphicsProxyWidget(self) QGraphicsProxyWidget
hasFocus(self) bool
hasHeightForWidth(self) bool
hasMouseTracking(self) bool
hasTabletTracking(self) bool
height(self) int
heightForWidth(self, int) int
heightMM(self) int
hide(self)
hideEvent(self, QHideEvent)
inherits(self, str) bool
initPainter(self, QPainter)
inputMethodEvent(self, QInputMethodEvent)
inputMethodHints(self) Qt.InputMethodHint
inputMethodQuery(self, Qt.InputMethodQuery) Any
FFProjectSettingsDlg.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
mapFrom(self, QWidget, QPointF) QPointF
mapFromGlobal(self, QPoint) QPoint
mapFromGlobal(self, QPointF) QPointF
mapFromParent(self, QPoint) QPoint
mapFromParent(self, QPointF) QPointF
mapTo(self, QWidget, QPoint) QPoint
mapTo(self, QWidget, QPointF) QPointF
mapToGlobal(self, QPoint) QPoint
mapToGlobal(self, QPointF) QPointF
mapToParent(self, QPoint) QPoint
mapToParent(self, QPointF) QPointF
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)
FFProjectSettingsDlg.move(self, int, int) -> None
moveEvent(self, QMoveEvent)
moveToThread(self, QThread)
nativeEvent(self, QByteArray, PyQt6.sip.voidptr) Tuple[bool, PyQt6.sip.voidptr]
nativeParentWidget(self) QWidget
nextInFocusChain(self) QWidget
normalGeometry(self) QRect
objectName(self) str
objectNameChanged

objectNameChanged(self, str) [signal]

open(self)
overrideWindowFlags(self, Qt.WindowType)
overrideWindowState(self, 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
reject(self)
rejected

rejected(self) [signal]

releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, int)
removeAction(self, QAction)
removeEventFilter(self, QObject)
render(self, QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren))
render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren)) None
repaint(self)
FFProjectSettingsDlg.repaint(self, int, int, int, int) -> None
repaint(self, QRect) None
repaint(self, QRegion) None
resize(self, QSize)
FFProjectSettingsDlg.resize(self, int, int) -> None
resizeEvent(self, QResizeEvent)
restoreGeometry(self, QByteArray) bool
result(self) int
saveGeometry(self) QByteArray
screen(self) QScreen
FFProjectSettingsDlg.scroll(self, int, int)
FFProjectSettingsDlg.scroll(self, int, int, QRect) -> None
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)
FFProjectSettingsDlg.setBaseSize(self, int, int)
setBaseSize(self, QSize) None
FFProjectSettingsDlg.setContentsMargins(self, int, int, int, int)
setContentsMargins(self, QMargins) None
setContextMenuPolicy(self, Qt.ContextMenuPolicy)
setCursor(self, Union[QCursor, Qt.CursorShape])
setDisabled(self, bool)
setEnabled(self, bool)
setFixedHeight(self, int)
setFixedSize(self, QSize)
FFProjectSettingsDlg.setFixedSize(self, int, int) -> None
setFixedWidth(self, int)
setFocus(self)
setFocus(self, Qt.FocusReason) None
setFocusPolicy(self, Qt.FocusPolicy)
setFocusProxy(self, QWidget)
setFont(self, QFont)
setForegroundRole(self, QPalette.ColorRole)
setGeometry(self, QRect)
FFProjectSettingsDlg.setGeometry(self, int, int, int, int) -> None
setGraphicsEffect(self, QGraphicsEffect)
setHidden(self, bool)
setInputMethodHints(self, Qt.InputMethodHint)
setLayout(self, QLayout)
setLayoutDirection(self, Qt.LayoutDirection)
setLocale(self, QLocale)
setMask(self, QBitmap)
setMask(self, QRegion) None
setMaximumHeight(self, int)
FFProjectSettingsDlg.setMaximumSize(self, int, int)
setMaximumSize(self, QSize) None
setMaximumWidth(self, int)
setMinimumHeight(self, int)
FFProjectSettingsDlg.setMinimumSize(self, int, int)
setMinimumSize(self, QSize) None
setMinimumWidth(self, int)
setModal(self, bool)
setMouseTracking(self, bool)
setObjectName(self, str)
setPalette(self, QPalette)
setParent(self, QWidget)
setParent(self, QWidget, Qt.WindowType) None
setProperty(self, str, Any) bool
setResult(self, int)
setScreen(self, QScreen)
setShortcutAutoRepeat(self, int, enabled: bool = True)
setShortcutEnabled(self, int, enabled: bool = True)
setSizeGripEnabled(self, bool)
FFProjectSettingsDlg.setSizeIncrement(self, int, int)
setSizeIncrement(self, QSize) None
setSizePolicy(self, QSizePolicy)
setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy) None
setStatusTip(self, str)
setStyle(self, QStyle)
setStyleSheet(self, str)
FFProjectSettingsDlg.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, Qt.WindowType)
setWindowIcon(self, QIcon)
setWindowIconText(self, str)
setWindowModality(self, Qt.WindowModality)
setWindowModified(self, bool)
setWindowOpacity(self, float)
setWindowRole(self, str)
setWindowState(self, Qt.WindowState)
setWindowTitle(self, str)
sharedPainter(self) QPainter
show(self)
showEvent(self, QShowEvent)
showFullScreen(self)
showMaximized(self)
showMinimized(self)
showNormal(self)
signalsBlocked(self) bool
size(self) QSize
sizeHint(self) QSize
sizeIncrement(self) QSize
sizePolicy(self) QSizePolicy
stackUnder(self, QWidget)
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) int
staticMetaObject = <PyQt6.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(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) None
update(self, QRegion) None
FFProjectSettingsDlg.update(self, int, int, int, int) -> None
updateGeometry(self)
updateMicroFocus(self, query: Qt.InputMethodQuery = Qt.ImQueryAll)
updatesEnabled(self) bool
visibleRegion(self) QRegion
whatsThis(self) str
wheelEvent(self, QWheelEvent)
width(self) int
widthMM(self) int
winId(self) PyQt6.sip.voidptr
window(self) QWidget
windowFilePath(self) str
windowFlags(self) Qt.WindowType
windowHandle(self) QWindow
windowIcon(self) QIcon
windowIconChanged

windowIconChanged(self, QIcon) [signal]

windowIconText(self) str
windowIconTextChanged

windowIconTextChanged(self, str) [signal]

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

windowTitleChanged(self, str) [signal]

windowType(self) Qt.WindowType
x(self) int
y(self) int
schrodinger.ui.qt.forcefield.ffprojectsettingsdlg.launch_ffbuilder_gui()

Launch the Force Field builder panel

schrodinger.ui.qt.forcefield.ffprojectsettingsdlg.show_ff_project_settings_dlg(parent=None, show_customize_btn=True)

Shows force field project settings dialog.

Parameters
  • parent – is parent object.

  • show_customize_btn – is set to True if Customize… button needs to be displayed, False otherwise.