schrodinger.trajectory.trajectory_gui_dir.plots module

File containing plot related code used in the Trajectory Plots GUI

class schrodinger.trajectory.trajectory_gui_dir.plots.TrajectoryPlotType(value)

Bases: enum.Enum

Enum of plot types to generate

MEASUREMENT_WORKSPACE = 1
MEASUREMENT_ADD = 2
MEASUREMENT_PLANAR_ANGLE = 3
MEASUREMENT_CENTROID = 4
INTERACTIONS_ALL = 5
INTERACTIONS_HYDROGEN_BONDS = 6
INTERACTIONS_HALOGEN_BONDS = 7
INTERACTIONS_SALT_BRIDGE = 8
INTERACTIONS_PI_PI = 9
INTERACTIONS_CAT_PI = 10
DESCRIPTORS_RMSD = 11
DESCRIPTORS_ATOM_RMSF = 12
DESCRIPTORS_RES_RMSF = 13
DESCRIPTORS_RADIUS_GYRATION = 14
DESCRIPTORS_PSA = 15
DESCRIPTORS_SASA = 16
DESCRIPTORS_MOLECULAR_SA = 17
ENERGY_ALL_GROUPED = 18
ENERGY_ALL_INDIVIDUAL = 19
ENERGY_INDIVIDUAL_MOLECULES = 20
ENERGY_CUSTOM_SUBSTRUCTURE_SETS = 21
ENERGY_CUSTOM_ASL_SETS = 22
RAMACHANDRAN_PLOT = 23
CONFORMATION_WHEEL = 24
class schrodinger.trajectory.trajectory_gui_dir.plots.PlotDataType(value)

Bases: enum.Enum

Broader type of data each plot task represents

TRAJECTORY = 1
RMSF = 2
ENERGY = 3
RAMACHANDRAN = 4
CONFORMATION = 5
schrodinger.trajectory.trajectory_gui_dir.plots.unwrap_angles(dihedrals)

Re-wrap the given list of angles, adding or subtracting 360 degrees to an angle at wrap points - to avoid data from “wrapping” across the plot (top to bottom or bottom to top).

schrodinger.trajectory.trajectory_gui_dir.plots.handle_chart_legend(chart, is_multiseries_interactions)

Sets the chart legend depending on the type of the chart

Parameters

  • chart (QtCharts.QChart) – Chart containing legend

  • is_multiseries_interactions (bool) – is this a multiseries interaction plot

schrodinger.trajectory.trajectory_gui_dir.plots.setupFloatAxis(data, axis, axis_min=None, axis_max=None)

Sets the range, ticks, and tick formatting for axis based on float-valued data.

Parameters

  • data (Sequence) – Data for series on axis

  • axis (QValueAxis) – Axis to set

  • axis_min (Optional[float]) – Optional; manually set axis min

  • axis_max (Optional[float]) – Optional; manually set axis max

schrodinger.trajectory.trajectory_gui_dir.plots.setupIntegerAxis(data, axis, axis_min=None, axis_max=None, force_positive=False)

Sets the range, ticks, and tick formatting for axis based on data, where data is integer-valued.

Parameters

  • data (Sequence) – Data for series on axis

  • axis (QValueAxis) – Axis to set

  • axis_min (Optional[int]) – Optional; manually set axis min

  • axis_max (Optional[int]) – Optional; manually set axis max

  • force_positive (Optional[bool]) – Optional; force axis to display only positive values

schrodinger.trajectory.trajectory_gui_dir.plots.setupIndexXAxis(y_data, axis, axis_min=None, axis_max=None)

Sets the range, ticks, and tick formatting for axis as an index of the values in y_data.

Parameters

  • y_data (Sequence) – Data for series on axis

  • axis (QValueAxis) – Axis to set

  • axis_min (Optional[int]) – Optional; manually set axis min

  • axis_max (Optional[int]) – Optional; manually set axis max

class schrodinger.trajectory.trajectory_gui_dir.plots.AbstractTrajectoryChartView(*args, **kwargs)

Bases: PyQt6.QtCharts.QChartView

QChartView subclass shared by all trajectory plots.

plotClicked
__init__(*args, **kwargs)
mousePressEvent(self, event: QMouseEvent)
mouseReleaseEvent(event)

Find the frame that the user’s left click selected. Display selection used in the task input.

AdjustIgnored = 0
AdjustToContents = 2
AdjustToContentsOnFirstShow = 1
AnchorUnderMouse = 2
AnchorViewCenter = 1
BoundingRectViewportUpdate = 4
Box = 1
CacheBackground = 1
class CacheModeFlag(value)

Bases: enum.Flag

An enumeration.

CacheNone = 0
CacheBackground = 1
CacheNone = 0
ClickThroughRubberBand = 128
DontAdjustForAntialiasing = 2
DontSavePainterState = 1
class DragMode(value)

Bases: enum.Enum

An enumeration.

NoDrag = 0
ScrollHandDrag = 1
RubberBandDrag = 2
DrawChildren = 2
DrawWindowBackground = 1
FullViewportUpdate = 0
HLine = 4
HorizontalRubberBand = 2
IgnoreMask = 4
MinimalViewportUpdate = 1
NoAnchor = 0
NoDrag = 0
NoFrame = 0
NoRubberBand = 0
NoViewportUpdate = 3
class OptimizationFlag(value)

Bases: enum.Flag

An enumeration.

DontSavePainterState = 1
DontAdjustForAntialiasing = 2
class PaintDeviceMetric(value)

Bases: enum.Enum

An enumeration.

PdmWidth = 1
PdmHeight = 2
PdmWidthMM = 3
PdmHeightMM = 4
PdmNumColors = 5
PdmDepth = 6
PdmDpiX = 7
PdmDpiY = 8
PdmPhysicalDpiX = 9
PdmPhysicalDpiY = 10
PdmDevicePixelRatio = 11
PdmDevicePixelRatioScaled = 12
Panel = 2
PdmDepth = 6
PdmDevicePixelRatio = 11
PdmDevicePixelRatioScaled = 12
PdmDpiX = 7
PdmDpiY = 8
PdmHeight = 2
PdmHeightMM = 4
PdmNumColors = 5
PdmPhysicalDpiX = 9
PdmPhysicalDpiY = 10
PdmWidth = 1
PdmWidthMM = 3
Plain = 16
Raised = 32
RectangleRubberBand = 3
class RenderFlag(value)

Bases: enum.Flag

An enumeration.

DrawWindowBackground = 1
DrawChildren = 2
IgnoreMask = 4
class RubberBand(value)

Bases: enum.Flag

An enumeration.

NoRubberBand = 0
VerticalRubberBand = 1
HorizontalRubberBand = 2
RectangleRubberBand = 3
ClickThroughRubberBand = 128
RubberBandDrag = 2
ScrollHandDrag = 1
class Shadow(value)

Bases: enum.IntEnum

An enumeration.

Plain = 16
Raised = 32
Sunken = 48
Shadow_Mask = 240
class Shape(value)

Bases: enum.IntEnum

An enumeration.

NoFrame = 0
Box = 1
Panel = 2
WinPanel = 3
HLine = 4
VLine = 5
StyledPanel = 6
Shape_Mask = 15
class SizeAdjustPolicy(value)

Bases: enum.Enum

An enumeration.

AdjustIgnored = 0
AdjustToContentsOnFirstShow = 1
AdjustToContents = 2
SmartViewportUpdate = 2
class StyleMask(value)

Bases: enum.Enum

An enumeration.

Shadow_Mask = 240
Shape_Mask = 15
StyledPanel = 6
Sunken = 48
VLine = 5
VerticalRubberBand = 1
class ViewportAnchor(value)

Bases: enum.Enum

An enumeration.

NoAnchor = 0
AnchorViewCenter = 1
AnchorUnderMouse = 2
class ViewportUpdateMode(value)

Bases: enum.Enum

An enumeration.

FullViewportUpdate = 0
MinimalViewportUpdate = 1
SmartViewportUpdate = 2
BoundingRectViewportUpdate = 4
NoViewportUpdate = 3
WinPanel = 3
acceptDrops(self) → bool
accessibleDescription(self) → str
accessibleName(self) → str
actionEvent(self, a0: QActionEvent)
actions(self) → List[QAction]
activateWindow(self)
addAction(self, action: QAction)
addActions(self, actions: Iterable[QAction])
addScrollBarWidget(self, widget: QWidget, alignment: Qt.AlignmentFlag)
adjustSize(self)
alignment(self) → Qt.AlignmentFlag
autoFillBackground(self) → bool
backgroundBrush(self) → QBrush
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, b: bool) → bool
cacheMode(self) → QGraphicsView.CacheModeFlag
centerOn(self, pos: QPointF)
centerOn(self, item: QGraphicsItem) → None
centerOn(self, ax: float, ay: float) → None
changeEvent(self, a0: QEvent)
chart(self) → QChart
childAt(self, p: QPoint) → QWidget
childAt(self, ax: int, ay: int) → QWidget
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
childrenRect(self) → QRect
childrenRegion(self) → QRegion
clearFocus(self)
clearMask(self)
close(self) → bool
closeEvent(self, a0: QCloseEvent)
colorCount(self) → int
connectNotify(self, signal: QMetaMethod)
contentsMargins(self) → QMargins
contentsRect(self) → QRect
contextMenuEvent(self, event: QContextMenuEvent)
contextMenuPolicy(self) → Qt.ContextMenuPolicy
cornerWidget(self) → QWidget
create(self, window: PyQt6.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(window: QWindow, parent: typing.Optional[QWidget] = None, flags: Qt.WindowType = Qt.WindowFlags()) → QWidget
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, pos: QPoint) [signal]

customEvent(self, a0: QEvent)
deleteLater(self)
depth(self) → int
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)
destroyed

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

devType(self) → int
devicePixelRatio(self) → float
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
dragEnterEvent(self, event: QDragEnterEvent)
dragLeaveEvent(self, event: QDragLeaveEvent)
dragMode(self) → QGraphicsView.DragMode
dragMoveEvent(self, event: QDragMoveEvent)
drawBackground(self, painter: QPainter, rect: QRectF)
drawForeground(self, painter: QPainter, rect: QRectF)
drawFrame(self, a0: QPainter)
dropEvent(self, event: QDropEvent)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
effectiveWinId(self) → PyQt6.sip.voidptr
ensurePolished(self)
ensureVisible(self, rect: QRectF, xMargin: int = 50, yMargin: int = 50)
ensureVisible(self, item: QGraphicsItem, xMargin: int = 50, yMargin: int = 50) → None
ensureVisible(self, x: float, y: float, w: float, h: float, xMargin: int = 50, yMargin: int = 50) → None
enterEvent(self, event: QEnterEvent)
event(self, event: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
find(a0: PyQt6.sip.voidptr) → QWidget
findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
fitInView(self, rect: QRectF, mode: Qt.AspectRatioMode = Qt.IgnoreAspectRatio)
fitInView(self, item: QGraphicsItem, mode: Qt.AspectRatioMode = Qt.IgnoreAspectRatio) → None
fitInView(self, x: float, y: float, w: float, h: float, mode: Qt.AspectRatioMode = Qt.IgnoreAspectRatio) → None
focusInEvent(self, event: QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, next: bool) → bool
focusOutEvent(self, event: QFocusEvent)
focusPolicy(self) → Qt.FocusPolicy
focusPreviousChild(self) → bool
focusProxy(self) → QWidget
focusWidget(self) → QWidget
font(self) → QFont
fontInfo(self) → QFontInfo
fontMetrics(self) → QFontMetrics
foregroundBrush(self) → QBrush
foregroundRole(self) → QPalette.ColorRole
frameGeometry(self) → QRect
frameRect(self) → QRect
frameShadow(self) → QFrame.Shadow
frameShape(self) → QFrame.Shape
frameSize(self) → QSize
frameStyle(self) → int
frameWidth(self) → int
geometry(self) → QRect
grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(- 1, - 1))) → QPixmap
grabGesture(self, type: Qt.GestureType, flags: Qt.GestureFlag = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)
grabMouse(self, a0: Union[QCursor, Qt.CursorShape]) → None
grabShortcut(self, key: Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int
graphicsEffect(self) → QGraphicsEffect
graphicsProxyWidget(self) → QGraphicsProxyWidget
hasFocus(self) → bool
hasHeightForWidth(self) → bool
hasMouseTracking(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, a0: int) → int
heightMM(self) → int
hide(self)
hideEvent(self, a0: QHideEvent)
horizontalScrollBar(self) → QScrollBar
horizontalScrollBarPolicy(self) → Qt.ScrollBarPolicy
inherits(self, classname: str) → bool
initPainter(self, painter: QPainter)
initStyleOption(self, option: QStyleOptionFrame)
inputMethodEvent(self, event: QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHint
inputMethodQuery(self, query: Qt.InputMethodQuery) → Any
insertAction(self, before: QAction, action: QAction)
insertActions(self, before: QAction, actions: Iterable[QAction])
installEventFilter(self, a0: QObject)
invalidateScene(self, rect: QRectF = QRectF(), layers: QGraphicsScene.SceneLayer = QGraphicsScene.AllLayers)
isActiveWindow(self) → bool
isAncestorOf(self, child: QWidget) → bool
isEnabled(self) → bool
isEnabledTo(self, a0: QWidget) → bool
isFullScreen(self) → bool
isHidden(self) → bool
isInteractive(self) → bool
isLeftToRight(self) → bool
isMaximized(self) → bool
isMinimized(self) → bool
isModal(self) → bool
isRightToLeft(self) → bool
isSignalConnected(self, signal: QMetaMethod) → bool
isTransformed(self) → bool
isVisible(self) → bool
isVisibleTo(self, a0: QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
itemAt(self, pos: QPoint) → QGraphicsItem
itemAt(self, ax: int, ay: int) → QGraphicsItem
items(self) → List[QGraphicsItem]
items(self, pos: QPoint) → List[QGraphicsItem]
items(self, x: int, y: int) → List[QGraphicsItem]
items(self, x: int, y: int, w: int, h: int, mode: Qt.ItemSelectionMode = Qt.IntersectsItemShape) → List[QGraphicsItem]
items(self, rect: QRect, mode: Qt.ItemSelectionMode = Qt.IntersectsItemShape) → List[QGraphicsItem]
items(self, polygon: QPolygon, mode: Qt.ItemSelectionMode = Qt.IntersectsItemShape) → List[QGraphicsItem]
items(self, path: QPainterPath, mode: Qt.ItemSelectionMode = Qt.IntersectsItemShape) → List[QGraphicsItem]
keyPressEvent(self, event: QKeyEvent)
keyReleaseEvent(self, event: QKeyEvent)
keyboardGrabber() → QWidget
killTimer(self, id: int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, a0: QEvent)
lineWidth(self) → int
locale(self) → QLocale
logicalDpiX(self) → int
logicalDpiY(self) → int
lower(self)
mapFrom(self, a0: QWidget, a1: QPoint) → QPoint
mapFrom(self, a0: QWidget, a1: QPointF) → QPointF
mapFromGlobal(self, a0: QPoint) → QPoint
mapFromGlobal(self, a0: QPointF) → QPointF
mapFromParent(self, a0: QPoint) → QPoint
mapFromParent(self, a0: QPointF) → QPointF
mapFromScene(self, point: QPointF) → QPoint
mapFromScene(self, rect: QRectF) → QPolygon
mapFromScene(self, polygon: QPolygonF) → QPolygon
mapFromScene(self, path: QPainterPath) → QPainterPath
mapFromScene(self, ax: float, ay: float) → QPoint
mapFromScene(self, ax: float, ay: float, w: float, h: float) → QPolygon
mapTo(self, a0: QWidget, a1: QPoint) → QPoint
mapTo(self, a0: QWidget, a1: QPointF) → QPointF
mapToGlobal(self, a0: QPoint) → QPoint
mapToGlobal(self, a0: QPointF) → QPointF
mapToParent(self, a0: QPoint) → QPoint
mapToParent(self, a0: QPointF) → QPointF
mapToScene(self, point: QPoint) → QPointF
mapToScene(self, rect: QRect) → QPolygonF
mapToScene(self, polygon: QPolygon) → QPolygonF
mapToScene(self, path: QPainterPath) → QPainterPath
mapToScene(self, ax: int, ay: int) → QPointF
mapToScene(self, ax: int, ay: int, w: int, h: int) → QPolygonF
mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumViewportSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, a0: QPaintDevice.PaintDeviceMetric) → int
midLineWidth(self) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
mouseDoubleClickEvent(self, event: QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, event: QMouseEvent)
move(self, a0: QPoint)
move(self, ax: int, ay: int) → None
moveEvent(self, a0: QMoveEvent)
moveToThread(self, thread: QThread)
nativeEvent(self, eventType: QByteArray, message: PyQt6.sip.voidptr) → Tuple[bool, PyQt6.sip.voidptr]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

optimizationFlags(self) → QGraphicsView.OptimizationFlag
overrideWindowFlags(self, type: Qt.WindowType)
overrideWindowState(self, state: Qt.WindowState)
paintEngine(self) → QPaintEngine
paintEvent(self, event: 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, name: str) → Any
pyqtConfigure(...)

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

raise_(self)
receivers(self, signal: PYQT_SIGNAL) → int
rect(self) → QRect
releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, id: int)
removeAction(self, action: QAction)
removeEventFilter(self, a0: QObject)
render(self, painter: QPainter, target: QRectF = QRectF(), source: QRect = QRect(), mode: Qt.AspectRatioMode = Qt.KeepAspectRatio)
renderHints(self) → QPainter.RenderHint
repaint(self)
repaint(self, x: int, y: int, w: int, h: int) → None
repaint(self, a0: QRect) → None
repaint(self, a0: QRegion) → None
resetCachedContent(self)
resetTransform(self)
resize(self, a0: QSize)
resize(self, w: int, h: int) → None
resizeAnchor(self) → QGraphicsView.ViewportAnchor
resizeEvent(self, event: QResizeEvent)
restoreGeometry(self, geometry: QByteArray) → bool
rotate(self, angle: float)
rubberBand(self) → QChartView.RubberBand
rubberBandChanged

rubberBandChanged(self, viewportRect: QRect, fromScenePoint: QPointF, toScenePoint: QPointF) [signal]

rubberBandRect(self) → QRect
rubberBandSelectionMode(self) → Qt.ItemSelectionMode
saveGeometry(self) → QByteArray
scale(self, sx: float, sy: float)
scene(self) → QGraphicsScene
sceneRect(self) → QRectF
screen(self) → QScreen
scroll(self, dx: int, dy: int)
scroll(self, dx: int, dy: int, a2: QRect) → None
scrollBarWidgets(self, alignment: Qt.AlignmentFlag) → List[QWidget]
scrollContentsBy(self, dx: int, dy: int)
sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, on: bool)
setAccessibleDescription(self, description: str)
setAccessibleName(self, name: str)
setAlignment(self, alignment: Qt.AlignmentFlag)
setAttribute(self, attribute: Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, enabled: bool)
setBackgroundBrush(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient])
setBackgroundRole(self, a0: QPalette.ColorRole)
setBaseSize(self, basew: int, baseh: int)
setBaseSize(self, s: QSize) → None
setCacheMode(self, mode: QGraphicsView.CacheModeFlag)
setChart(self, chart: QChart)
setContentsMargins(self, left: int, top: int, right: int, bottom: int)
setContentsMargins(self, margins: QMargins) → None
setContextMenuPolicy(self, policy: Qt.ContextMenuPolicy)
setCornerWidget(self, widget: QWidget)
setCursor(self, a0: Union[QCursor, Qt.CursorShape])
setDisabled(self, a0: bool)
setDragMode(self, mode: QGraphicsView.DragMode)
setEnabled(self, a0: bool)
setFixedHeight(self, h: int)
setFixedSize(self, a0: QSize)
setFixedSize(self, w: int, h: int) → None
setFixedWidth(self, w: int)
setFocus(self)
setFocus(self, reason: Qt.FocusReason) → None
setFocusPolicy(self, policy: Qt.FocusPolicy)
setFocusProxy(self, a0: QWidget)
setFont(self, a0: QFont)
setForegroundBrush(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient])
setForegroundRole(self, a0: QPalette.ColorRole)
setFrameRect(self, a0: QRect)
setFrameShadow(self, a0: QFrame.Shadow)
setFrameShape(self, a0: QFrame.Shape)
setFrameStyle(self, a0: int)
setGeometry(self, a0: QRect)
setGeometry(self, ax: int, ay: int, aw: int, ah: int) → None
setGraphicsEffect(self, effect: QGraphicsEffect)
setHidden(self, hidden: bool)
setHorizontalScrollBar(self, scrollbar: QScrollBar)
setHorizontalScrollBarPolicy(self, a0: Qt.ScrollBarPolicy)
setInputMethodHints(self, hints: Qt.InputMethodHint)
setInteractive(self, allowed: bool)
setLayout(self, a0: QLayout)
setLayoutDirection(self, direction: Qt.LayoutDirection)
setLineWidth(self, a0: int)
setLocale(self, locale: QLocale)
setMask(self, a0: QBitmap)
setMask(self, a0: QRegion) → None
setMaximumHeight(self, maxh: int)
setMaximumSize(self, maxw: int, maxh: int)
setMaximumSize(self, s: QSize) → None
setMaximumWidth(self, maxw: int)
setMidLineWidth(self, a0: int)
setMinimumHeight(self, minh: int)
setMinimumSize(self, minw: int, minh: int)
setMinimumSize(self, s: QSize) → None
setMinimumWidth(self, minw: int)
setMouseTracking(self, enable: bool)
setObjectName(self, name: str)
setOptimizationFlag(self, flag: QGraphicsView.OptimizationFlag, enabled: bool = True)
setOptimizationFlags(self, flags: QGraphicsView.OptimizationFlag)
setPalette(self, a0: QPalette)
setParent(self, parent: QWidget)
setParent(self, parent: QWidget, f: Qt.WindowType) → None
setProperty(self, name: str, value: Any) → bool
setRenderHint(self, hint: QPainter.RenderHint, on: bool = True)
setRenderHints(self, hints: QPainter.RenderHint)
setResizeAnchor(self, anchor: QGraphicsView.ViewportAnchor)
setRubberBand(self, rubberBands: QChartView.RubberBand)
setRubberBandSelectionMode(self, mode: Qt.ItemSelectionMode)
setScene(self, scene: QGraphicsScene)
setSceneRect(self, rect: QRectF)
setSceneRect(self, ax: float, ay: float, aw: float, ah: float) → None
setScreen(self, a0: QScreen)
setShortcutAutoRepeat(self, id: int, enabled: bool = True)
setShortcutEnabled(self, id: int, enabled: bool = True)
setSizeAdjustPolicy(self, policy: QAbstractScrollArea.SizeAdjustPolicy)
setSizeIncrement(self, w: int, h: int)
setSizeIncrement(self, s: QSize) → None
setSizePolicy(self, a0: QSizePolicy)
setSizePolicy(self, hor: QSizePolicy.Policy, ver: QSizePolicy.Policy) → None
setStatusTip(self, a0: str)
setStyle(self, a0: QStyle)
setStyleSheet(self, styleSheet: str)
setTabOrder(a0: QWidget, a1: QWidget)
setTabletTracking(self, enable: bool)
setToolTip(self, a0: str)
setToolTipDuration(self, msec: int)
setTransform(self, matrix: QTransform, combine: bool = False)
setTransformationAnchor(self, anchor: QGraphicsView.ViewportAnchor)
setUpdatesEnabled(self, enable: bool)
setVerticalScrollBar(self, scrollbar: QScrollBar)
setVerticalScrollBarPolicy(self, a0: Qt.ScrollBarPolicy)
setViewport(self, widget: QWidget)
setViewportMargins(self, left: int, top: int, right: int, bottom: int)
setViewportMargins(self, margins: QMargins) → None
setViewportUpdateMode(self, mode: QGraphicsView.ViewportUpdateMode)
setVisible(self, visible: bool)
setWhatsThis(self, a0: str)
setWindowFilePath(self, filePath: str)
setWindowFlag(self, a0: Qt.WindowType, on: bool = True)
setWindowFlags(self, type: Qt.WindowType)
setWindowIcon(self, icon: QIcon)
setWindowIconText(self, a0: str)
setWindowModality(self, windowModality: Qt.WindowModality)
setWindowModified(self, a0: bool)
setWindowOpacity(self, level: float)
setWindowRole(self, a0: str)
setWindowState(self, state: Qt.WindowState)
setWindowTitle(self, a0: str)
setupViewport(self, widget: QWidget)
sharedPainter(self) → QPainter
shear(self, sh: float, sv: float)
show(self)
showEvent(self, event: QShowEvent)
showFullScreen(self)
showMaximized(self)
showMinimized(self)
showNormal(self)
signalsBlocked(self) → bool
size(self) → QSize
sizeAdjustPolicy(self) → QAbstractScrollArea.SizeAdjustPolicy
sizeHint(self) → QSize
sizeIncrement(self) → QSize
sizePolicy(self) → QSizePolicy
stackUnder(self, a0: QWidget)
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
statusTip(self) → str
style(self) → QStyle
styleSheet(self) → str
tabletEvent(self, a0: QTabletEvent)
testAttribute(self, attribute: Qt.WidgetAttribute) → bool
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
transform(self) → QTransform
transformationAnchor(self) → QGraphicsView.ViewportAnchor
translate(self, dx: float, dy: float)
underMouse(self) → bool
ungrabGesture(self, type: Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)
update(self, a0: QRect) → None
update(self, a0: QRegion) → None
update(self, ax: int, ay: int, aw: int, ah: int) → None
updateGeometry(self)
updateMicroFocus(self, query: Qt.InputMethodQuery = Qt.ImQueryAll)
updateScene(self, rects: Iterable[QRectF])
updateSceneRect(self, rect: QRectF)
updatesEnabled(self) → bool
verticalScrollBar(self) → QScrollBar
verticalScrollBarPolicy(self) → Qt.ScrollBarPolicy
viewport(self) → QWidget
viewportEvent(self, event: QEvent) → bool
viewportMargins(self) → QMargins
viewportSizeHint(self) → QSize
viewportTransform(self) → QTransform
viewportUpdateMode(self) → QGraphicsView.ViewportUpdateMode
visibleRegion(self) → QRegion
whatsThis(self) → str
wheelEvent(self, event: QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → PyQt6.sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowType
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, icon: QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, iconText: str) [signal]

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

windowTitleChanged(self, title: str) [signal]

windowType(self) → Qt.WindowType
x(self) → int
y(self) → int
class schrodinger.trajectory.trajectory_gui_dir.plots.AbstractTrajectoryPlotManager(panel)

Bases: PyQt6.QtCore.QObject

Base class for storing plot data for trajectory analysis data. Also holds a reference to the chart view.

Note that we cannot simply use QtCharts.QLineSeries.clicked for this because it does not appear to trigger on OS X.

Variables

  • displayAsl – Display the asl for the corresponding entry id Signal. args are (asl, entry_id)

  • displayFrameAndAsl – Change frame and show ASL for given entry id Signal args are (asl, entry_id, frame_number)

  • newDataAvailable – Emitted when plot has finished generating data.

  • showWarning – Emitted when plot requests parent panel to show a warning message.

  • createAndDisplayMeasurement – Create a new measurement from the given asl and frame

deletePlot
displayAsl
displayFrameAndAsl
newDataAvailable
showWarning
createAndDisplayMeasurement
PANEL_CLASS = None
__init__(panel)
configureTask(task)

Configure the specified task by assigning it the analysis mode, and assigning inputs based on the currently selected trajectory. Task’s taskDone signal is connected to self._onTaskEnded().

start()
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

getPlotTitle()
isRunning()

Return True if the plot is still generating data.

getPlotType()

Returns what type of plot this class uses; used for grouping export data.

getDataForExport()

Return a list of row data to export to CSV or Excel. Subclasses must override.

Returns

Data to be exported

Return type

list(list)

getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

getSettingsHash()
generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getExportData()

Most panels export the same data whether export was selected from the plot panel or the main panel. Override this method to export different type of data when exporting from the parent panel, via the “Export Results…” button.

exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

saveImage()

Save a .png file of the plot

showContextMenu(parent=None)
loadFromTask(task)

Load in results from the given task.

Parameters

task (tasks.AbstractTask) – Task to get result data from.

generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

blockSignals(self, b: bool) → bool
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
connectNotify(self, signal: QMetaMethod)
customEvent(self, a0: QEvent)
deleteLater(self)
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
metaObject(self) → QMetaObject
moveToThread(self, thread: QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
signalsBlocked(self) → bool
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
class schrodinger.trajectory.trajectory_gui_dir.plots.AbstractQtChartPlotManager(panel)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.AbstractTrajectoryPlotManager

Base class for storing a Qt Chart plot data for trajectory analysis data. Also holds a reference to the chart view.

__init__(panel)
setupView(fixed_height=250, multi_series=False)
createCollapsiblePlotWidget()
chart()
onPlotClicked(value)
saveImage()

Save a .png file of the plot

loadFromTask(task)

Load in results from the given task.

Parameters

task (tasks.AbstractTask) – Task to get result data from.

formatPlotAxes()

Formats axes tick numbers and spacing depending on result data.

PANEL_CLASS = None
blockSignals(self, b: bool) → bool
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
configureTask(task)

Configure the specified task by assigning it the analysis mode, and assigning inputs based on the currently selected trajectory. Task’s taskDone signal is connected to self._onTaskEnded().

connectNotify(self, signal: QMetaMethod)
createAndDisplayMeasurement
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

customEvent(self, a0: QEvent)
deleteLater(self)
deletePlot
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
displayAsl
displayFrameAndAsl
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getDataForExport()

Return a list of row data to export to CSV or Excel. Subclasses must override.

Returns

Data to be exported

Return type

list(list)

getExportData()

Most panels export the same data whether export was selected from the plot panel or the main panel. Override this method to export different type of data when exporting from the parent panel, via the “Export Results…” button.

getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

getPlotTitle()
getPlotType()

Returns what type of plot this class uses; used for grouping export data.

getSettingsHash()
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isRunning()

Return True if the plot is still generating data.

isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
metaObject(self) → QMetaObject
moveToThread(self, thread: QThread)
newDataAvailable
objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
showContextMenu(parent=None)
showWarning
signalsBlocked(self) → bool
start()
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
class schrodinger.trajectory.trajectory_gui_dir.plots.TrajectoryAnalysisPlotManager(panel)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.AbstractQtChartPlotManager

Chart class used for graphs with an x-axis of frames

getPlotTitle()
getPlotType()

Returns what type of plot this class uses; used for grouping export data. For TRAJECTORY grouping, each plot’s data is added as a column in the same Excel sheet.

getDataForExport()

Return a list of row data to export to CSV or Excel.

Returns

Data to be exported

Return type

list(list)

PANEL_CLASS = None
__init__(panel)
blockSignals(self, b: bool) → bool
chart()
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
configureTask(task)

Configure the specified task by assigning it the analysis mode, and assigning inputs based on the currently selected trajectory. Task’s taskDone signal is connected to self._onTaskEnded().

connectNotify(self, signal: QMetaMethod)
createAndDisplayMeasurement
createCollapsiblePlotWidget()
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

customEvent(self, a0: QEvent)
deleteLater(self)
deletePlot
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
displayAsl
displayFrameAndAsl
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

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

Formats axes tick numbers and spacing depending on result data.

generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getExportData()

Most panels export the same data whether export was selected from the plot panel or the main panel. Override this method to export different type of data when exporting from the parent panel, via the “Export Results…” button.

getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

getSettingsHash()
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isRunning()

Return True if the plot is still generating data.

isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
loadFromTask(task)

Load in results from the given task.

Parameters

task (tasks.AbstractTask) – Task to get result data from.

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

objectNameChanged(self, objectName: str) [signal]

onPlotClicked(value)
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
saveImage()

Save a .png file of the plot

sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setupView(fixed_height=250, multi_series=False)
showContextMenu(parent=None)
showWarning
signalsBlocked(self) → bool
start()
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
class schrodinger.trajectory.trajectory_gui_dir.plots.MeasurementPlotManager(panel, mode, aids)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.TrajectoryAnalysisPlotManager

Base class for measurements defined in Workspace.

__init__(panel, mode, aids)
Parameters

  • panel (QtWidgets.QWidget) – Parent panel

  • mode (AnalysisMode) – Analysis mode

  • aids (Sequence(int)) – List of atom numbers involved in the measurement.

configureTask(task, mode, aids_list)
Parameters
getSettingsHash()
PANEL_CLASS = None
blockSignals(self, b: bool) → bool
chart()
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
connectNotify(self, signal: QMetaMethod)
createAndDisplayMeasurement
createCollapsiblePlotWidget()
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

customEvent(self, a0: QEvent)
deleteLater(self)
deletePlot
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
displayAsl
displayFrameAndAsl
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

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

Formats axes tick numbers and spacing depending on result data.

generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getDataForExport()

Return a list of row data to export to CSV or Excel.

Returns

Data to be exported

Return type

list(list)

getExportData()

Most panels export the same data whether export was selected from the plot panel or the main panel. Override this method to export different type of data when exporting from the parent panel, via the “Export Results…” button.

getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

getPlotTitle()
getPlotType()

Returns what type of plot this class uses; used for grouping export data. For TRAJECTORY grouping, each plot’s data is added as a column in the same Excel sheet.

inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isRunning()

Return True if the plot is still generating data.

isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
loadFromTask(task)

Load in results from the given task.

Parameters

task (tasks.AbstractTask) – Task to get result data from.

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

objectNameChanged(self, objectName: str) [signal]

onPlotClicked(value)
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
saveImage()

Save a .png file of the plot

sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setupView(fixed_height=250, multi_series=False)
showContextMenu(parent=None)
showWarning
signalsBlocked(self) → bool
start()
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
class schrodinger.trajectory.trajectory_gui_dir.plots.RingMeasurementPlotManager(panel, mode, aids)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.MeasurementPlotManager

Base class for workspace measurements involving rings.

PANEL_CLASS = None
__init__(panel, mode, aids)
Parameters

  • panel (QtWidgets.QWidget) – Parent panel

  • mode (AnalysisMode) – Analysis mode

  • aids (Sequence(int)) – List of atom numbers involved in the measurement.

blockSignals(self, b: bool) → bool
chart()
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
configureTask(task, mode, aids_list)
Parameters
connectNotify(self, signal: QMetaMethod)
createAndDisplayMeasurement
createCollapsiblePlotWidget()
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

customEvent(self, a0: QEvent)
deleteLater(self)
deletePlot
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
displayAsl
displayFrameAndAsl
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

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

Formats axes tick numbers and spacing depending on result data.

generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getDataForExport()

Return a list of row data to export to CSV or Excel.

Returns

Data to be exported

Return type

list(list)

getExportData()

Most panels export the same data whether export was selected from the plot panel or the main panel. Override this method to export different type of data when exporting from the parent panel, via the “Export Results…” button.

getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

getPlotTitle()
getPlotType()

Returns what type of plot this class uses; used for grouping export data. For TRAJECTORY grouping, each plot’s data is added as a column in the same Excel sheet.

getSettingsHash()
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isRunning()

Return True if the plot is still generating data.

isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
loadFromTask(task)

Load in results from the given task.

Parameters

task (tasks.AbstractTask) – Task to get result data from.

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

objectNameChanged(self, objectName: str) [signal]

onPlotClicked(value)
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
saveImage()

Save a .png file of the plot

sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setupView(fixed_height=250, multi_series=False)
showContextMenu(parent=None)
showWarning
signalsBlocked(self) → bool
start()
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
class schrodinger.trajectory.trajectory_gui_dir.plots.DistanceMeasurementPlotManager(panel, aids)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.MeasurementPlotManager

Manager for plotting the distance between two atoms over a trajectory, specified from a Workspace measurement.

__init__(panel, aids)
Parameters

  • panel (QtWidgets.QWidget) – Parent panel

  • aids (Sequence(int)) – List of the two atom IDs involved in the measurement.

configureTask(task, mode, aids)
Parameters
getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

PANEL_CLASS = None
blockSignals(self, b: bool) → bool
chart()
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
connectNotify(self, signal: QMetaMethod)
createAndDisplayMeasurement
createCollapsiblePlotWidget()
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

customEvent(self, a0: QEvent)
deleteLater(self)
deletePlot
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
displayAsl
displayFrameAndAsl
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

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

Formats axes tick numbers and spacing depending on result data.

generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getDataForExport()

Return a list of row data to export to CSV or Excel.

Returns

Data to be exported

Return type

list(list)

getExportData()

Most panels export the same data whether export was selected from the plot panel or the main panel. Override this method to export different type of data when exporting from the parent panel, via the “Export Results…” button.

getPlotTitle()
getPlotType()

Returns what type of plot this class uses; used for grouping export data. For TRAJECTORY grouping, each plot’s data is added as a column in the same Excel sheet.

getSettingsHash()
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isRunning()

Return True if the plot is still generating data.

isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
loadFromTask(task)

Load in results from the given task.

Parameters

task (tasks.AbstractTask) – Task to get result data from.

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

objectNameChanged(self, objectName: str) [signal]

onPlotClicked(value)
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
saveImage()

Save a .png file of the plot

sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setupView(fixed_height=250, multi_series=False)
showContextMenu(parent=None)
showWarning
signalsBlocked(self) → bool
start()
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
class schrodinger.trajectory.trajectory_gui_dir.plots.AngleMeasurementPlotManager(panel, aids)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.MeasurementPlotManager

Manager for plotting a bond angle over a trajectory, specified from a Workspace measurement.

__init__(panel, aids)
Parameters

  • panel (QtWidgets.QWidget) – Parent panel

  • aids (Sequence(int)) – List of the three atom IDs involved in the measurement.

configureTask(task, mode, aids)
Parameters
getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

PANEL_CLASS = None
blockSignals(self, b: bool) → bool
chart()
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
connectNotify(self, signal: QMetaMethod)
createAndDisplayMeasurement
createCollapsiblePlotWidget()
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

customEvent(self, a0: QEvent)
deleteLater(self)
deletePlot
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
displayAsl
displayFrameAndAsl
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

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

Formats axes tick numbers and spacing depending on result data.

generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getDataForExport()

Return a list of row data to export to CSV or Excel.

Returns

Data to be exported

Return type

list(list)

getExportData()

Most panels export the same data whether export was selected from the plot panel or the main panel. Override this method to export different type of data when exporting from the parent panel, via the “Export Results…” button.

getPlotTitle()
getPlotType()

Returns what type of plot this class uses; used for grouping export data. For TRAJECTORY grouping, each plot’s data is added as a column in the same Excel sheet.

getSettingsHash()
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isRunning()

Return True if the plot is still generating data.

isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
loadFromTask(task)

Load in results from the given task.

Parameters

task (tasks.AbstractTask) – Task to get result data from.

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

objectNameChanged(self, objectName: str) [signal]

onPlotClicked(value)
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
saveImage()

Save a .png file of the plot

sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setupView(fixed_height=250, multi_series=False)
showContextMenu(parent=None)
showWarning
signalsBlocked(self) → bool
start()
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
class schrodinger.trajectory.trajectory_gui_dir.plots.TorsionMeasurementPlotManager(panel, aids)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.MeasurementPlotManager

Manager for plotting a torsion/dihedral angle over a trajectory, specified from a Workspace measurement.

__init__(panel, aids)
Parameters

  • panel (QtWidgets.QWidget) – Parent panel

  • aids (Sequence(int)) – List of the four atom IDs involved in the measurement.

configureTask(task, mode, aids)
Parameters
getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

addSeriesFromTask(task)
PANEL_CLASS = None
blockSignals(self, b: bool) → bool
chart()
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
connectNotify(self, signal: QMetaMethod)
createAndDisplayMeasurement
createCollapsiblePlotWidget()
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

customEvent(self, a0: QEvent)
deleteLater(self)
deletePlot
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
displayAsl
displayFrameAndAsl
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

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

Formats axes tick numbers and spacing depending on result data.

generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getDataForExport()

Return a list of row data to export to CSV or Excel.

Returns

Data to be exported

Return type

list(list)

getExportData()

Most panels export the same data whether export was selected from the plot panel or the main panel. Override this method to export different type of data when exporting from the parent panel, via the “Export Results…” button.

getPlotTitle()
getPlotType()

Returns what type of plot this class uses; used for grouping export data. For TRAJECTORY grouping, each plot’s data is added as a column in the same Excel sheet.

getSettingsHash()
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isRunning()

Return True if the plot is still generating data.

isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
loadFromTask(task)

Load in results from the given task.

Parameters

task (tasks.AbstractTask) – Task to get result data from.

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

objectNameChanged(self, objectName: str) [signal]

onPlotClicked(value)
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
saveImage()

Save a .png file of the plot

sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setupView(fixed_height=250, multi_series=False)
showContextMenu(parent=None)
showWarning
signalsBlocked(self) → bool
start()
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
class schrodinger.trajectory.trajectory_gui_dir.plots.RingAtomDistanceMeasurementPlotManager(panel, aids_list)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.RingMeasurementPlotManager

Manager for plotting the distance between a ring centroid and a separate atom over a trajectory, specified from a Workspace measurement.

__init__(panel, aids_list)
Parameters

  • panel (QtWidgets.QWidget) – Parent panel

  • aids_list (Sequence(Union[list, int])) – List of atom IDs involved in the measurement. First entry is a list of atom IDs in the ring, second is the ID for the atom we’re measuring the distance to.

configureTask(task, mode, aids_list)
Parameters

  • task (traj_plot_models.TrajectoryAnalysisTask) – Task to configure.

  • mode (AnalysisMode) – Analysis mode

  • aids_list (Sequence(Union[list, int])) – List of atom IDs involved in the measurement. First entry is a list of atom IDs in the ring, second is the ID for the atom we’re measuring the distance to.

getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

PANEL_CLASS = None
blockSignals(self, b: bool) → bool
chart()
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
connectNotify(self, signal: QMetaMethod)
createAndDisplayMeasurement
createCollapsiblePlotWidget()
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

customEvent(self, a0: QEvent)
deleteLater(self)
deletePlot
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
displayAsl
displayFrameAndAsl
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

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

Formats axes tick numbers and spacing depending on result data.

generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getDataForExport()

Return a list of row data to export to CSV or Excel.

Returns

Data to be exported

Return type

list(list)

getExportData()

Most panels export the same data whether export was selected from the plot panel or the main panel. Override this method to export different type of data when exporting from the parent panel, via the “Export Results…” button.

getPlotTitle()
getPlotType()

Returns what type of plot this class uses; used for grouping export data. For TRAJECTORY grouping, each plot’s data is added as a column in the same Excel sheet.

getSettingsHash()
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isRunning()

Return True if the plot is still generating data.

isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
loadFromTask(task)

Load in results from the given task.

Parameters

task (tasks.AbstractTask) – Task to get result data from.

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

objectNameChanged(self, objectName: str) [signal]

onPlotClicked(value)
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
saveImage()

Save a .png file of the plot

sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setupView(fixed_height=250, multi_series=False)
showContextMenu(parent=None)
showWarning
signalsBlocked(self) → bool
start()
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
class schrodinger.trajectory.trajectory_gui_dir.plots.RingRingDistanceMeasurementPlotManager(panel, aids_list)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.RingMeasurementPlotManager

Manager for plotting the distance between two ring centroids over a trajectory, specified from a Workspace measurement.

__init__(panel, aids_list)
Parameters

  • panel (QtWidgets.QWidget) – Parent panel

  • aids_list (Sequence(list(int))) – List of two lists of atom IDs, one for each ring.

configureTask(task, mode, aids_list)
Parameters
getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

PANEL_CLASS = None
blockSignals(self, b: bool) → bool
chart()
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
connectNotify(self, signal: QMetaMethod)
createAndDisplayMeasurement
createCollapsiblePlotWidget()
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

customEvent(self, a0: QEvent)
deleteLater(self)
deletePlot
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
displayAsl
displayFrameAndAsl
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

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

Formats axes tick numbers and spacing depending on result data.

generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getDataForExport()

Return a list of row data to export to CSV or Excel.

Returns

Data to be exported

Return type

list(list)

getExportData()

Most panels export the same data whether export was selected from the plot panel or the main panel. Override this method to export different type of data when exporting from the parent panel, via the “Export Results…” button.

getPlotTitle()
getPlotType()

Returns what type of plot this class uses; used for grouping export data. For TRAJECTORY grouping, each plot’s data is added as a column in the same Excel sheet.

getSettingsHash()
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isRunning()

Return True if the plot is still generating data.

isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
loadFromTask(task)

Load in results from the given task.

Parameters

task (tasks.AbstractTask) – Task to get result data from.

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

objectNameChanged(self, objectName: str) [signal]

onPlotClicked(value)
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
saveImage()

Save a .png file of the plot

sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setupView(fixed_height=250, multi_series=False)
showContextMenu(parent=None)
showWarning
signalsBlocked(self) → bool
start()
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
class schrodinger.trajectory.trajectory_gui_dir.plots.RingAngleMeasurementPlotManager(panel, aids_list)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.RingMeasurementPlotManager

Manager for plotting the angle between the best-fit planes defined by two rings, over a trajectory, specified from a Workspace measurement.

__init__(panel, aids_list)
Parameters

  • panel (QtWidgets.QWidget) – Parent panel

  • aids_list (Sequence(list(int))) – List of two lists of atom IDs, one for each ring.

configureTask(task, mode, aids_list)
Parameters
getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

PANEL_CLASS = None
blockSignals(self, b: bool) → bool
chart()
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
connectNotify(self, signal: QMetaMethod)
createAndDisplayMeasurement
createCollapsiblePlotWidget()
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

customEvent(self, a0: QEvent)
deleteLater(self)
deletePlot
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
displayAsl
displayFrameAndAsl
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

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

Formats axes tick numbers and spacing depending on result data.

generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getDataForExport()

Return a list of row data to export to CSV or Excel.

Returns

Data to be exported

Return type

list(list)

getExportData()

Most panels export the same data whether export was selected from the plot panel or the main panel. Override this method to export different type of data when exporting from the parent panel, via the “Export Results…” button.

getPlotTitle()
getPlotType()

Returns what type of plot this class uses; used for grouping export data. For TRAJECTORY grouping, each plot’s data is added as a column in the same Excel sheet.

getSettingsHash()
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isRunning()

Return True if the plot is still generating data.

isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
loadFromTask(task)

Load in results from the given task.

Parameters

task (tasks.AbstractTask) – Task to get result data from.

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

objectNameChanged(self, objectName: str) [signal]

onPlotClicked(value)
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
saveImage()

Save a .png file of the plot

sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setupView(fixed_height=250, multi_series=False)
showContextMenu(parent=None)
showWarning
signalsBlocked(self) → bool
start()
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
class schrodinger.trajectory.trajectory_gui_dir.plots.CentroidDistancePlotManager(panel, atom_sets)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.TrajectoryAnalysisPlotManager

__init__(panel, atom_sets)

Create a plot for measuring distance between centroids of atom groups. :param atom_sets: List of tuples of atom IDs, per atom set. :type atom_sets: list(tuple(int)) NOTE: Disabled as of PANEL-20518

configureTask(task, atom_sets)

Configure the plot task.

Parameters
getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

PANEL_CLASS = None
blockSignals(self, b: bool) → bool
chart()
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
connectNotify(self, signal: QMetaMethod)
createAndDisplayMeasurement
createCollapsiblePlotWidget()
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

customEvent(self, a0: QEvent)
deleteLater(self)
deletePlot
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
displayAsl
displayFrameAndAsl
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

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

Formats axes tick numbers and spacing depending on result data.

generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getDataForExport()

Return a list of row data to export to CSV or Excel.

Returns

Data to be exported

Return type

list(list)

getExportData()

Most panels export the same data whether export was selected from the plot panel or the main panel. Override this method to export different type of data when exporting from the parent panel, via the “Export Results…” button.

getPlotTitle()
getPlotType()

Returns what type of plot this class uses; used for grouping export data. For TRAJECTORY grouping, each plot’s data is added as a column in the same Excel sheet.

getSettingsHash()
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isRunning()

Return True if the plot is still generating data.

isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
loadFromTask(task)

Load in results from the given task.

Parameters

task (tasks.AbstractTask) – Task to get result data from.

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

objectNameChanged(self, objectName: str) [signal]

onPlotClicked(value)
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
saveImage()

Save a .png file of the plot

sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setupView(fixed_height=250, multi_series=False)
showContextMenu(parent=None)
showWarning
signalsBlocked(self) → bool
start()
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
class schrodinger.trajectory.trajectory_gui_dir.plots.AslPlotManager(panel, analysis_mode, asl, aids)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.TrajectoryAnalysisPlotManager

__init__(panel, analysis_mode, asl, aids)
configureTask(task, analysis_mode, asl, aids)

Configure the specified task by assigning it the analysis mode, and assigning inputs based on the currently selected trajectory. Task’s taskDone signal is connected to self._onTaskEnded().

getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

PANEL_CLASS = None
blockSignals(self, b: bool) → bool
chart()
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
connectNotify(self, signal: QMetaMethod)
createAndDisplayMeasurement
createCollapsiblePlotWidget()
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

customEvent(self, a0: QEvent)
deleteLater(self)
deletePlot
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
displayAsl
displayFrameAndAsl
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

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

Formats axes tick numbers and spacing depending on result data.

generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getDataForExport()

Return a list of row data to export to CSV or Excel.

Returns

Data to be exported

Return type

list(list)

getExportData()

Most panels export the same data whether export was selected from the plot panel or the main panel. Override this method to export different type of data when exporting from the parent panel, via the “Export Results…” button.

getPlotTitle()
getPlotType()

Returns what type of plot this class uses; used for grouping export data. For TRAJECTORY grouping, each plot’s data is added as a column in the same Excel sheet.

getSettingsHash()
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isRunning()

Return True if the plot is still generating data.

isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
loadFromTask(task)

Load in results from the given task.

Parameters

task (tasks.AbstractTask) – Task to get result data from.

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

objectNameChanged(self, objectName: str) [signal]

onPlotClicked(value)
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
saveImage()

Save a .png file of the plot

sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setupView(fixed_height=250, multi_series=False)
showContextMenu(parent=None)
showWarning
signalsBlocked(self) → bool
start()
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
class schrodinger.trajectory.trajectory_gui_dir.plots.AbstractAdvancedTrajectoryPlotManager(panel)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.AbstractTrajectoryPlotManager

Plot Manager for Advanced Plots (RMSF, Energy). These plots are stored as shortcuts at the bottom of the panel.

createShortcutWidget(plot_panel)

Create and store reference to a shortcut widget for a given Advanced Plot

Parameters

plot_panel (BaseAdvancedPlotPanel) – Plot panel that shortcut will launch

Returns

Shortcut for the Advanced Plot

Return type

AdvancedPlotShortcut

PANEL_CLASS = None
__init__(panel)
blockSignals(self, b: bool) → bool
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
configureTask(task)

Configure the specified task by assigning it the analysis mode, and assigning inputs based on the currently selected trajectory. Task’s taskDone signal is connected to self._onTaskEnded().

connectNotify(self, signal: QMetaMethod)
createAndDisplayMeasurement
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

customEvent(self, a0: QEvent)
deleteLater(self)
deletePlot
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
displayAsl
displayFrameAndAsl
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getDataForExport()

Return a list of row data to export to CSV or Excel. Subclasses must override.

Returns

Data to be exported

Return type

list(list)

getExportData()

Most panels export the same data whether export was selected from the plot panel or the main panel. Override this method to export different type of data when exporting from the parent panel, via the “Export Results…” button.

getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

getPlotTitle()
getPlotType()

Returns what type of plot this class uses; used for grouping export data.

getSettingsHash()
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isRunning()

Return True if the plot is still generating data.

isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
loadFromTask(task)

Load in results from the given task.

Parameters

task (tasks.AbstractTask) – Task to get result data from.

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

objectNameChanged(self, objectName: str) [signal]

parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
saveImage()

Save a .png file of the plot

sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
showContextMenu(parent=None)
showWarning
signalsBlocked(self) → bool
start()
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
class schrodinger.trajectory.trajectory_gui_dir.plots.AbstractAdvancedQtPlotManager(panel)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.AbstractQtChartPlotManager, schrodinger.trajectory.trajectory_gui_dir.plots.AbstractAdvancedTrajectoryPlotManager

Plot Manager for Advanced Plots (RMSF, Energy). These plots are stored as shortcuts at the bottom of the panel.

createShortcutWidget(plot_panel)

Create and store reference to a shortcut widget for a given Advanced Plot

Parameters

plot_panel (BaseAdvancedPlotPanel) – Plot panel that shortcut will launch

Returns

Shortcut for the Advanced Plot

Return type

AdvancedPlotShortcut

PANEL_CLASS = None
__init__(panel)
blockSignals(self, b: bool) → bool
chart()
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
configureTask(task)

Configure the specified task by assigning it the analysis mode, and assigning inputs based on the currently selected trajectory. Task’s taskDone signal is connected to self._onTaskEnded().

connectNotify(self, signal: QMetaMethod)
createAndDisplayMeasurement
createCollapsiblePlotWidget()
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

customEvent(self, a0: QEvent)
deleteLater(self)
deletePlot
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
displayAsl
displayFrameAndAsl
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

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

Formats axes tick numbers and spacing depending on result data.

generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getDataForExport()

Return a list of row data to export to CSV or Excel. Subclasses must override.

Returns

Data to be exported

Return type

list(list)

getExportData()

Most panels export the same data whether export was selected from the plot panel or the main panel. Override this method to export different type of data when exporting from the parent panel, via the “Export Results…” button.

getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

getPlotTitle()
getPlotType()

Returns what type of plot this class uses; used for grouping export data.

getSettingsHash()
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isRunning()

Return True if the plot is still generating data.

isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
loadFromTask(task)

Load in results from the given task.

Parameters

task (tasks.AbstractTask) – Task to get result data from.

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

objectNameChanged(self, objectName: str) [signal]

onPlotClicked(value)
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
saveImage()

Save a .png file of the plot

sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setupView(fixed_height=250, multi_series=False)
showContextMenu(parent=None)
showWarning
signalsBlocked(self) → bool
start()
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
class schrodinger.trajectory.trajectory_gui_dir.plots.CollapsiblePlot(parent=None, system_title='', plot_title='', plot=None, tooltip=None)

Bases: PyQt6.QtWidgets.QWidget

This class defines a collapsible plot. The widget has an area for title text, a ‘collapse’ button and a ‘close’ button.

__init__(parent=None, system_title='', plot_title='', plot=None, tooltip=None)
Parameters

  • system_title (str) – System title for the widget

  • plot_title (str) – Title to set for this title bar

  • plot (AbstractTrajectoryPlotManager) – Plot to set in the collapsible area

  • tooltip (str) – Optional tooltip for the title

onPlotTitleChanged()

For multi-interaction plots, title can change as new tasks are completed; update the title.

getPlotTitle()

Returns plot title.

Returns

plot title

Return type

str

onCollapseButtonClicked()

Collapse or expand the plot depending on its current state.

mousePressEvent(self, a0: QMouseEvent)
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
class RenderFlag(value)

Bases: enum.Flag

An enumeration.

DrawWindowBackground = 1
DrawChildren = 2
IgnoreMask = 4
acceptDrops(self) → bool
accessibleDescription(self) → str
accessibleName(self) → str
actionEvent(self, a0: QActionEvent)
actions(self) → List[QAction]
activateWindow(self)
addAction(self, action: QAction)
addActions(self, actions: Iterable[QAction])
adjustSize(self)
autoFillBackground(self) → bool
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, b: bool) → bool
changeEvent(self, a0: QEvent)
childAt(self, p: QPoint) → QWidget
childAt(self, ax: int, ay: int) → QWidget
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
childrenRect(self) → QRect
childrenRegion(self) → QRegion
clearFocus(self)
clearMask(self)
close(self) → bool
closeEvent(self, a0: QCloseEvent)
colorCount(self) → int
connectNotify(self, signal: QMetaMethod)
contentsMargins(self) → QMargins
contentsRect(self) → QRect
contextMenuEvent(self, a0: QContextMenuEvent)
contextMenuPolicy(self) → Qt.ContextMenuPolicy
create(self, window: PyQt6.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(window: QWindow, parent: typing.Optional[QWidget] = None, flags: Qt.WindowType = Qt.WindowFlags()) → QWidget
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, pos: QPoint) [signal]

customEvent(self, a0: QEvent)
deleteLater(self)
depth(self) → int
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)
destroyed

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

devType(self) → int
devicePixelRatio(self) → float
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
dragEnterEvent(self, a0: QDragEnterEvent)
dragLeaveEvent(self, a0: QDragLeaveEvent)
dragMoveEvent(self, a0: QDragMoveEvent)
dropEvent(self, a0: QDropEvent)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
effectiveWinId(self) → PyQt6.sip.voidptr
ensurePolished(self)
enterEvent(self, event: QEnterEvent)
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
find(a0: PyQt6.sip.voidptr) → QWidget
findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
focusInEvent(self, a0: QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, next: bool) → bool
focusOutEvent(self, a0: 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, type: Qt.GestureType, flags: Qt.GestureFlag = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)
grabMouse(self, a0: Union[QCursor, Qt.CursorShape]) → None
grabShortcut(self, key: Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int
graphicsEffect(self) → QGraphicsEffect
graphicsProxyWidget(self) → QGraphicsProxyWidget
hasFocus(self) → bool
hasHeightForWidth(self) → bool
hasMouseTracking(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, a0: int) → int
heightMM(self) → int
hide(self)
hideEvent(self, a0: QHideEvent)
inherits(self, classname: str) → bool
initPainter(self, painter: QPainter)
inputMethodEvent(self, a0: QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHint
inputMethodQuery(self, a0: Qt.InputMethodQuery) → Any
insertAction(self, before: QAction, action: QAction)
insertActions(self, before: QAction, actions: Iterable[QAction])
installEventFilter(self, a0: QObject)
isActiveWindow(self) → bool
isAncestorOf(self, child: QWidget) → bool
isEnabled(self) → bool
isEnabledTo(self, a0: 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, signal: QMetaMethod) → bool
isVisible(self) → bool
isVisibleTo(self, a0: QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
keyPressEvent(self, a0: QKeyEvent)
keyReleaseEvent(self, a0: QKeyEvent)
keyboardGrabber() → QWidget
killTimer(self, id: int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, a0: QEvent)
locale(self) → QLocale
logicalDpiX(self) → int
logicalDpiY(self) → int
lower(self)
mapFrom(self, a0: QWidget, a1: QPoint) → QPoint
mapFrom(self, a0: QWidget, a1: QPointF) → QPointF
mapFromGlobal(self, a0: QPoint) → QPoint
mapFromGlobal(self, a0: QPointF) → QPointF
mapFromParent(self, a0: QPoint) → QPoint
mapFromParent(self, a0: QPointF) → QPointF
mapTo(self, a0: QWidget, a1: QPoint) → QPoint
mapTo(self, a0: QWidget, a1: QPointF) → QPointF
mapToGlobal(self, a0: QPoint) → QPoint
mapToGlobal(self, a0: QPointF) → QPointF
mapToParent(self, a0: QPoint) → QPoint
mapToParent(self, a0: QPointF) → QPointF
mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, a0: QPaintDevice.PaintDeviceMetric) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
mouseDoubleClickEvent(self, a0: QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, a0: QMouseEvent)
mouseReleaseEvent(self, a0: QMouseEvent)
move(self, a0: QPoint)
move(self, ax: int, ay: int) → None
moveEvent(self, a0: QMoveEvent)
moveToThread(self, thread: QThread)
nativeEvent(self, eventType: QByteArray, message: PyQt6.sip.voidptr) → Tuple[bool, PyQt6.sip.voidptr]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

overrideWindowFlags(self, type: Qt.WindowType)
overrideWindowState(self, state: Qt.WindowState)
paintEngine(self) → QPaintEngine
paintEvent(self, a0: 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, name: str) → Any
pyqtConfigure(...)

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

raise_(self)
receivers(self, signal: PYQT_SIGNAL) → int
rect(self) → QRect
releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, id: int)
removeAction(self, action: QAction)
removeEventFilter(self, a0: QObject)
render(self, target: QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren))
render(self, painter: QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren)) → None
repaint(self)
repaint(self, x: int, y: int, w: int, h: int) → None
repaint(self, a0: QRect) → None
repaint(self, a0: QRegion) → None
resize(self, a0: QSize)
resize(self, w: int, h: int) → None
resizeEvent(self, a0: QResizeEvent)
restoreGeometry(self, geometry: QByteArray) → bool
saveGeometry(self) → QByteArray
screen(self) → QScreen
scroll(self, dx: int, dy: int)
scroll(self, dx: int, dy: int, a2: QRect) → None
sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, on: bool)
setAccessibleDescription(self, description: str)
setAccessibleName(self, name: str)
setAttribute(self, attribute: Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, enabled: bool)
setBackgroundRole(self, a0: QPalette.ColorRole)
setBaseSize(self, basew: int, baseh: int)
setBaseSize(self, s: QSize) → None
setContentsMargins(self, left: int, top: int, right: int, bottom: int)
setContentsMargins(self, margins: QMargins) → None
setContextMenuPolicy(self, policy: Qt.ContextMenuPolicy)
setCursor(self, a0: Union[QCursor, Qt.CursorShape])
setDisabled(self, a0: bool)
setEnabled(self, a0: bool)
setFixedHeight(self, h: int)
setFixedSize(self, a0: QSize)
setFixedSize(self, w: int, h: int) → None
setFixedWidth(self, w: int)
setFocus(self)
setFocus(self, reason: Qt.FocusReason) → None
setFocusPolicy(self, policy: Qt.FocusPolicy)
setFocusProxy(self, a0: QWidget)
setFont(self, a0: QFont)
setForegroundRole(self, a0: QPalette.ColorRole)
setGeometry(self, a0: QRect)
setGeometry(self, ax: int, ay: int, aw: int, ah: int) → None
setGraphicsEffect(self, effect: QGraphicsEffect)
setHidden(self, hidden: bool)
setInputMethodHints(self, hints: Qt.InputMethodHint)
setLayout(self, a0: QLayout)
setLayoutDirection(self, direction: Qt.LayoutDirection)
setLocale(self, locale: QLocale)
setMask(self, a0: QBitmap)
setMask(self, a0: QRegion) → None
setMaximumHeight(self, maxh: int)
setMaximumSize(self, maxw: int, maxh: int)
setMaximumSize(self, s: QSize) → None
setMaximumWidth(self, maxw: int)
setMinimumHeight(self, minh: int)
setMinimumSize(self, minw: int, minh: int)
setMinimumSize(self, s: QSize) → None
setMinimumWidth(self, minw: int)
setMouseTracking(self, enable: bool)
setObjectName(self, name: str)
setPalette(self, a0: QPalette)
setParent(self, parent: QWidget)
setParent(self, parent: QWidget, f: Qt.WindowType) → None
setProperty(self, name: str, value: Any) → bool
setScreen(self, a0: QScreen)
setShortcutAutoRepeat(self, id: int, enabled: bool = True)
setShortcutEnabled(self, id: int, enabled: bool = True)
setSizeIncrement(self, w: int, h: int)
setSizeIncrement(self, s: QSize) → None
setSizePolicy(self, a0: QSizePolicy)
setSizePolicy(self, hor: QSizePolicy.Policy, ver: QSizePolicy.Policy) → None
setStatusTip(self, a0: str)
setStyle(self, a0: QStyle)
setStyleSheet(self, styleSheet: str)
setTabOrder(a0: QWidget, a1: QWidget)
setTabletTracking(self, enable: bool)
setToolTip(self, a0: str)
setToolTipDuration(self, msec: int)
setUpdatesEnabled(self, enable: bool)
setVisible(self, visible: bool)
setWhatsThis(self, a0: str)
setWindowFilePath(self, filePath: str)
setWindowFlag(self, a0: Qt.WindowType, on: bool = True)
setWindowFlags(self, type: Qt.WindowType)
setWindowIcon(self, icon: QIcon)
setWindowIconText(self, a0: str)
setWindowModality(self, windowModality: Qt.WindowModality)
setWindowModified(self, a0: bool)
setWindowOpacity(self, level: float)
setWindowRole(self, a0: str)
setWindowState(self, state: Qt.WindowState)
setWindowTitle(self, a0: str)
sharedPainter(self) → QPainter
show(self)
showEvent(self, a0: 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, a0: QWidget)
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
statusTip(self) → str
style(self) → QStyle
styleSheet(self) → str
tabletEvent(self, a0: QTabletEvent)
testAttribute(self, attribute: Qt.WidgetAttribute) → bool
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
underMouse(self) → bool
ungrabGesture(self, type: Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)
update(self, a0: QRect) → None
update(self, a0: QRegion) → None
update(self, ax: int, ay: int, aw: int, ah: int) → None
updateGeometry(self)
updateMicroFocus(self, query: Qt.InputMethodQuery = Qt.ImQueryAll)
updatesEnabled(self) → bool
visibleRegion(self) → QRegion
whatsThis(self) → str
wheelEvent(self, a0: QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → PyQt6.sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowType
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, icon: QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, iconText: str) [signal]

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

windowTitleChanged(self, title: str) [signal]

windowType(self) → Qt.WindowType
x(self) → int
y(self) → int
class schrodinger.trajectory.trajectory_gui_dir.plots.BaseAdvancedPlotPanel(*args, **kwargs)

Bases: schrodinger.ui.qt.basewidgets.Panel

Base class for plot panels that get opened via shortcuts in the “Advanced Plots” section of the main plots panel.

APPLY_LEGACY_STYLESHEET = True
APPLY_PANELX_STYLESHEET = False
class BtnPos(value)

Bases: enum.IntEnum

An enumeration.

Left = 0
Middle = 1
Right = 2
DrawChildren = 2
DrawWindowBackground = 1
IgnoreMask = 4
PRESETS_FEATURE_FLAG = False
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
class RenderFlag(value)

Bases: enum.Flag

An enumeration.

DrawWindowBackground = 1
DrawChildren = 2
IgnoreMask = 4
SHOW_AS_WINDOW = True
class StdBtn(value)

Bases: enum.IntEnum

An enumeration.

Ok = 0
Cancel = 1
Reset = 2
Help = 3
__init__(*args, **kwargs)
acceptDrops(self) → bool
property accepted
accessibleDescription(self) → str
accessibleName(self) → str
actionEvent(self, a0: QActionEvent)
actions(self) → List[QAction]
activateWindow(self)
addAction(self, action: QAction)
addActions(self, actions: Iterable[QAction])
adjustSize(self)
autoFillBackground(self) → bool
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, b: bool) → bool
changeEvent(self, a0: QEvent)
childAt(self, p: QPoint) → QWidget
childAt(self, ax: int, ay: int) → QWidget
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
childrenRect(self) → QRect
childrenRegion(self) → QRegion
clearFocus(self)
clearMask(self)
close(self) → bool
closeEvent(event)

Ensures proper handling of OK, Cancel, and [X] button clicks

colorCount(self) → int
connectNotify(self, signal: QMetaMethod)
contentsMargins(self) → QMargins
contentsRect(self) → QRect
contextMenuEvent(self, a0: QContextMenuEvent)
contextMenuPolicy(self) → Qt.ContextMenuPolicy
create(self, window: PyQt6.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(window: QWindow, parent: typing.Optional[QWidget] = None, flags: Qt.WindowType = Qt.WindowFlags()) → QWidget
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, pos: QPoint) [signal]

customEvent(self, a0: QEvent)
debug()
defineMappings()

Override this in the subclass to define mappings. Should return a list of tuples [(<target>, <param>)]. Targets can be:

  1. a basic widget, like QLineEdit or QComboBox

  2. a custom object that inherits MapperMixin or TargetMixin

  3. a TargetSpec instance

  4. a slot

For common widgets, standard signals and getter/setter methods will be used, as defined in mappers._get_default_access_names().

For more fine-grained custom control, instantiate a TargetSpec object, which allows custom setters, getters, and signals to be specified.

Supplying a slot as the first element of the tuple is equivalent to providing TargetSpec(slot=my_slot).

Note that all target slots are triggered on setModel() as well as in response to the specified signal.

The param is an abstract param reference, e.g. MyModel.my_param.

Example:

def defineMappings(self):
    combo = self.style_combo
    return [(self.name_le, MyModel.name),
            (TargetSpec(combo,
                    getter=combo.currentText,
                    setter=combo.setCurrentText), MyModel.style),
            (self.coord_widget, MyModel.coord),
            (self._onASLTextChanged, MyModel.asl_text)]
deleteLater(self)
depth(self) → int
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)
destroyed

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

devType(self) → int
devicePixelRatio(self) → float
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
dragEnterEvent(self, a0: QDragEnterEvent)
dragLeaveEvent(self, a0: QDragLeaveEvent)
dragMoveEvent(self, a0: QDragMoveEvent)
dropEvent(self, a0: QDropEvent)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
effectiveWinId(self) → PyQt6.sip.voidptr
ensurePolished(self)
enterEvent(self, event: QEnterEvent)
error(*args, **kwargs)

Shows a popup error message box. For parameter documentation see messagebox.MessageBox.

event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
find(a0: PyQt6.sip.voidptr) → QWidget
findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
focusInEvent(self, a0: QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, next: bool) → bool
focusOutEvent(self, a0: 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
forgetMessageBoxResponse(key)

Forgets any previously saved response that was stored via a save_response_key.

Parameters

key – the key for the response to forget

frameGeometry(self) → QRect
frameSize(self) → QSize
geometry(self) → QRect
getModel()
classmethod getPanelInstance(create=True)

Return the singleton instance of this panel, creating one if necessary.

Parameters

create (bool) – Whether to create an instance of the panel if none exists

Returns

instance of this panel.

Return type

PanelMixin

getSignalsAndSlots(model)

Override this method to specify signal and slot pairs that need to be connected/disconnected whenever the model instance is switched using setModel. The model instance is provided as an argument so that instance-specific signals can be used, but any pairs of signals and slots may be returned from this method.

Returns

a list of 2-tuples where each tuple is a signal, slot pair

grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(- 1, - 1))) → QPixmap
grabGesture(self, type: Qt.GestureType, flags: Qt.GestureFlag = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)
grabMouse(self, a0: Union[QCursor, Qt.CursorShape]) → None
grabShortcut(self, key: Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int
graphicsEffect(self) → QGraphicsEffect
graphicsProxyWidget(self) → QGraphicsProxyWidget
hasFocus(self) → bool
hasHeightForWidth(self) → bool
hasMouseTracking(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, a0: int) → int
heightMM(self) → int
hide(self)
hideEvent(self, a0: QHideEvent)
info(*args, **kwargs)

Shows a popup information message box. For parameter documentation see messagebox.MessageBox.

inherits(self, classname: str) → bool
initFinalize()

Suggested subclass use: perform any remaining initialization.

initLayOut()

@overrides: widgetmixins.InitMixin

initPainter(self, painter: QPainter)
initSetDefaults()

@overrides: widgetmixins.InitMixin

initSetOptions()

Suggested subclass use: set instance variables, excluding layouts and subwidgets. Also use here to (optionally) apply the legacy stylesheet spacing settings (PANEL-19101).

initSetUp()

Creates widget from ui and stores it ui_widget.

Suggested subclass use: create and initialize subwidgets, and connect signals.

inputMethodEvent(self, a0: QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHint
inputMethodQuery(self, a0: Qt.InputMethodQuery) → Any
insertAction(self, before: QAction, action: QAction)
insertActions(self, before: QAction, actions: Iterable[QAction])
installEventFilter(self, a0: QObject)
isActiveWindow(self) → bool
isAncestorOf(self, child: QWidget) → bool
isEnabled(self) → bool
isEnabledTo(self, a0: 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, signal: QMetaMethod) → bool
isVisible(self) → bool
isVisibleTo(self, a0: QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
keyPressEvent(self, a0: QKeyEvent)
keyReleaseEvent(self, a0: QKeyEvent)
keyboardGrabber() → QWidget
killTimer(self, id: int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, a0: QEvent)
locale(self) → QLocale
logicalDpiX(self) → int
logicalDpiY(self) → int
lower(self)
makeInitialModel()
mapFrom(self, a0: QWidget, a1: QPoint) → QPoint
mapFrom(self, a0: QWidget, a1: QPointF) → QPointF
mapFromGlobal(self, a0: QPoint) → QPoint
mapFromGlobal(self, a0: QPointF) → QPointF
mapFromParent(self, a0: QPoint) → QPoint
mapFromParent(self, a0: QPointF) → QPointF
mapTo(self, a0: QWidget, a1: QPoint) → QPoint
mapTo(self, a0: QWidget, a1: QPointF) → QPointF
mapToGlobal(self, a0: QPoint) → QPoint
mapToGlobal(self, a0: QPointF) → QPointF
mapToParent(self, a0: QPoint) → QPoint
mapToParent(self, a0: QPointF) → QPointF
mappedParams()

Return a list of the abstract params that are mapped to.

mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, a0: QPaintDevice.PaintDeviceMetric) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
property model
model_class = None
mouseDoubleClickEvent(self, a0: QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, a0: QMouseEvent)
mousePressEvent(self, a0: QMouseEvent)
mouseReleaseEvent(self, a0: QMouseEvent)
move(self, a0: QPoint)
move(self, ax: int, ay: int) → None
moveEvent(self, a0: QMoveEvent)
moveToThread(self, thread: QThread)
nativeEvent(self, eventType: QByteArray, message: PyQt6.sip.voidptr) → Tuple[bool, PyQt6.sip.voidptr]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

overrideWindowFlags(self, type: Qt.WindowType)
overrideWindowState(self, state: Qt.WindowState)
paintEngine(self) → QPaintEngine
paintEvent(self, a0: QPaintEvent)
paintingActive(self) → bool
palette(self) → QPalette
classmethod panel(blocking=False, modal=False, finished_callback=None)

Open an instance of this class.

For full argument documentation, see ExecutionMixin.run.

parent(self) → QObject
parentWidget(self) → QWidget
physicalDpiX(self) → int
physicalDpiY(self) → int
pos(self) → QPoint
previousInFocusChain(self) → QWidget
property(self, name: str) → Any
pyqtConfigure(...)

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

question(*args, **kwargs)

Shows a popup question message box. For parameter documentation see messagebox.QuestionMessageBox.

raise_(self)
receivers(self, signal: PYQT_SIGNAL) → int
rect(self) → QRect
releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, id: int)
removeAction(self, action: QAction)
removeEventFilter(self, a0: QObject)
render(self, target: QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren))
render(self, painter: QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren)) → None
repaint(self)
repaint(self, x: int, y: int, w: int, h: int) → None
repaint(self, a0: QRect) → None
repaint(self, a0: QRegion) → None
reportValidation(results)

Present validation messages to the user. This is an implmentation of the ValidationMixin interface and does not need to be called directly.

This method assumes that error and question methods have been defined in the subclass, as in e.g. widget_mixins.MessageBoxMixin.

Parameters

results (validation.ValidationResults) – Set of validation results generated by validate

Returns

if True, there were no validation errors and the user decided to continue despite any warnings. If False, there was at least one validation error or the user decided to abort when faced with a warning.

resetMappedParams()
resize(self, a0: QSize)
resize(self, w: int, h: int) → None
resizeEvent(self, a0: QResizeEvent)
restoreGeometry(self, geometry: QByteArray) → bool
run(blocking=False, modal=False, finished_callback=None)

Show this widget, while optionally blocking, making the widget window modal, and registering a callback for when the widget is closed again.

Parameters

  • blocking (bool) – if True, block progress in the calling method until the widget is closed again.

  • modal (bool) – if True, open this widget as window modal. Otherwise, open this widget as nonmodal.

  • finished_callback (a callable object) – an object that will be called with no arguments when this widget is closed.

runAllSlots()
runValidation(silent=False, validate_children=True, stop_on_fail=True)

Runs validation and reports the results (unless run silently).

Parameters

  • silent (bool) – run without any reporting (i.e. error messages to the user). This is useful if we want to programmatically test validity. Changes return value of this method from ValidationResults to a boolean.

  • validate_children (bool) – run validation on all child objects. See _validateChildren for documentation on what this entails.

  • stop_on_fail (bool) – stop validation when first failure is encountered

Returns

if silent is False, returns the validation results. If silent is True, returns a boolean generated by reportValidation.

Return type

ValidationResults or bool

saveGeometry(self) → QByteArray
screen(self) → QScreen
scroll(self, dx: int, dy: int)
scroll(self, dx: int, dy: int, a2: QRect) → None
sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, on: bool)
setAccessibleDescription(self, description: str)
setAccessibleName(self, name: str)
setAttribute(self, attribute: Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, enabled: bool)
setBackgroundRole(self, a0: QPalette.ColorRole)
setBaseSize(self, basew: int, baseh: int)
setBaseSize(self, s: QSize) → None
setContentsMargins(self, left: int, top: int, right: int, bottom: int)
setContentsMargins(self, margins: QMargins) → None
setContextMenuPolicy(self, policy: Qt.ContextMenuPolicy)
setCursor(self, a0: Union[QCursor, Qt.CursorShape])
setDefaults()

@overrides: af2.App

setDisabled(self, a0: bool)
setEnabled(self, a0: bool)
setFixedHeight(self, h: int)
setFixedSize(self, a0: QSize)
setFixedSize(self, w: int, h: int) → None
setFixedWidth(self, w: int)
setFocus(self)
setFocus(self, reason: Qt.FocusReason) → None
setFocusPolicy(self, policy: Qt.FocusPolicy)
setFocusProxy(self, a0: QWidget)
setFont(self, a0: QFont)
setForegroundRole(self, a0: QPalette.ColorRole)
setGeometry(self, a0: QRect)
setGeometry(self, ax: int, ay: int, aw: int, ah: int) → None
setGraphicsEffect(self, effect: QGraphicsEffect)
setHidden(self, hidden: bool)
setInputMethodHints(self, hints: Qt.InputMethodHint)
setLayout(self, a0: QLayout)
setLayoutDirection(self, direction: Qt.LayoutDirection)
setLocale(self, locale: QLocale)
setMask(self, a0: QBitmap)
setMask(self, a0: QRegion) → None
setMaximumHeight(self, maxh: int)
setMaximumSize(self, maxw: int, maxh: int)
setMaximumSize(self, s: QSize) → None
setMaximumWidth(self, maxw: int)
setMinimumHeight(self, minh: int)
setMinimumSize(self, minw: int, minh: int)
setMinimumSize(self, s: QSize) → None
setMinimumWidth(self, minw: int)
setModel(model)

Sets the model object for the mapper. Disconnects the old model, if one is set, and connects the new model. Pass in None to have no model set.

Parameters

model – the model instance or None

setModelWithoutSlots(model)

This is called when this MapperMixin is a sub-widget of a parent MapperMixin. Since the slots will all be called at the end of the parent setModel, they shouldn’t be called during the sub-widget’s setModel.

setMouseTracking(self, enable: bool)
setObjectName(self, name: str)
setPalette(self, a0: QPalette)
setParent(self, parent: QWidget)
setParent(self, parent: QWidget, f: Qt.WindowType) → None
setProperty(self, name: str, value: Any) → bool
setScreen(self, a0: QScreen)
setShortcutAutoRepeat(self, id: int, enabled: bool = True)
setShortcutEnabled(self, id: int, enabled: bool = True)
setSizeIncrement(self, w: int, h: int)
setSizeIncrement(self, s: QSize) → None
setSizePolicy(self, a0: QSizePolicy)
setSizePolicy(self, hor: QSizePolicy.Policy, ver: QSizePolicy.Policy) → None
setStatusTip(self, a0: str)
setStyle(self, a0: QStyle)
setStyleSheet(self, styleSheet: str)
setTabOrder(a0: QWidget, a1: QWidget)
setTabletTracking(self, enable: bool)
setToolTip(self, a0: str)
setToolTipDuration(self, msec: int)
setUpdatesEnabled(self, enable: bool)
setVisible(self, visible: bool)
setWhatsThis(self, a0: str)
setWidgetLayout()

Set the widget layout

setWindowFilePath(self, filePath: str)
setWindowFlag(self, a0: Qt.WindowType, on: bool = True)
setWindowFlags(self, type: Qt.WindowType)
setWindowFlagsForRun()
setWindowIcon(self, icon: QIcon)
setWindowIconText(self, a0: str)
setWindowModality(self, windowModality: Qt.WindowModality)
setWindowModified(self, a0: bool)
setWindowOpacity(self, level: float)
setWindowRole(self, a0: str)
setWindowState(self, state: Qt.WindowState)
setWindowTitle(self, a0: str)
setting_model()
sharedPainter(self) → QPainter
show()

Override the show method to clear and previous value of self.accepted

showEvent(self, a0: QShowEvent)
showFullScreen(self)
showMaximized(self)
showMessageBox(*args, **kwargs)

Shows a popup message box. For parameter documentation see messagebox.MessageBox.

showMinimized(self)
showNormal(self)
signalsBlocked(self) → bool
size(self) → QSize
sizeHint(self) → QSize
sizeIncrement(self) → QSize
sizePolicy(self) → QSizePolicy
stackUnder(self, a0: QWidget)
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
statusTip(self) → str
style(self) → QStyle
styleSheet(self) → str
tabletEvent(self, a0: QTabletEvent)
testAttribute(self, attribute: Qt.WidgetAttribute) → bool
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
ui_module = None
underMouse(self) → bool
ungrabGesture(self, type: Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)
update(self, a0: QRect) → None
update(self, a0: QRegion) → None
update(self, ax: int, ay: int, aw: int, ah: int) → None
updateGeometry(self)
updateMicroFocus(self, query: Qt.InputMethodQuery = Qt.ImQueryAll)
updatesEnabled(self) → bool
visibleRegion(self) → QRegion
warning(*args, **kwargs)

Shows a popup warning message box. For parameter documentation see messagebox.MessageBox.

whatsThis(self) → str
wheelEvent(self, a0: QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → PyQt6.sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowType
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, icon: QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, iconText: str) [signal]

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

windowTitleChanged(self, title: str) [signal]

windowType(self) → Qt.WindowType
x(self) → int
y(self) → int
class schrodinger.trajectory.trajectory_gui_dir.plots.AdvancedPlotShortcut(plot_panel, shortcut_title='', window_title='', parent=None)

Bases: schrodinger.ui.qt.basewidgets.BaseWidget

Shortcut icon that opens an advanced plots (RMSF and Energy plots).

ui_module = <module 'schrodinger.trajectory.trajectory_gui_dir.shortcut_ui' from '/scr/buildbot/savedbuilds/2023-4/NB/build-133/internal/lib/python3.8/site-packages/schrodinger/trajectory/trajectory_gui_dir/shortcut_ui.py'>
__init__(plot_panel, shortcut_title='', window_title='', parent=None)
mousePressEvent(self, a0: QMouseEvent)
getPlotTitle()
close()

Close and remove this widget.

APPLY_LEGACY_STYLESHEET = True
APPLY_PANELX_STYLESHEET = False
class BtnPos(value)

Bases: enum.IntEnum

An enumeration.

Left = 0
Middle = 1
Right = 2
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
class RenderFlag(value)

Bases: enum.Flag

An enumeration.

DrawWindowBackground = 1
DrawChildren = 2
IgnoreMask = 4
SHOW_AS_WINDOW = False
class StdBtn(value)

Bases: enum.IntEnum

An enumeration.

Ok = 0
Cancel = 1
Reset = 2
Help = 3
acceptDrops(self) → bool
property accepted
accessibleDescription(self) → str
accessibleName(self) → str
actionEvent(self, a0: QActionEvent)
actions(self) → List[QAction]
activateWindow(self)
addAction(self, action: QAction)
addActions(self, actions: Iterable[QAction])
adjustSize(self)
autoFillBackground(self) → bool
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, b: bool) → bool
changeEvent(self, a0: QEvent)
childAt(self, p: QPoint) → QWidget
childAt(self, ax: int, ay: int) → QWidget
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
childrenRect(self) → QRect
childrenRegion(self) → QRegion
clearFocus(self)
clearMask(self)
closeEvent(event)

Ensures proper handling of OK, Cancel, and [X] button clicks

colorCount(self) → int
connectNotify(self, signal: QMetaMethod)
contentsMargins(self) → QMargins
contentsRect(self) → QRect
contextMenuEvent(self, a0: QContextMenuEvent)
contextMenuPolicy(self) → Qt.ContextMenuPolicy
create(self, window: PyQt6.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(window: QWindow, parent: typing.Optional[QWidget] = None, flags: Qt.WindowType = Qt.WindowFlags()) → QWidget
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, pos: QPoint) [signal]

customEvent(self, a0: QEvent)
debug()
deleteLater(self)
depth(self) → int
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)
destroyed

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

devType(self) → int
devicePixelRatio(self) → float
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
dragEnterEvent(self, a0: QDragEnterEvent)
dragLeaveEvent(self, a0: QDragLeaveEvent)
dragMoveEvent(self, a0: QDragMoveEvent)
dropEvent(self, a0: QDropEvent)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
effectiveWinId(self) → PyQt6.sip.voidptr
ensurePolished(self)
enterEvent(self, event: QEnterEvent)
error(*args, **kwargs)

Shows a popup error message box. For parameter documentation see messagebox.MessageBox.

event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
find(a0: PyQt6.sip.voidptr) → QWidget
findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
focusInEvent(self, a0: QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, next: bool) → bool
focusOutEvent(self, a0: 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
forgetMessageBoxResponse(key)

Forgets any previously saved response that was stored via a save_response_key.

Parameters

key – the key for the response to forget

frameGeometry(self) → QRect
frameSize(self) → QSize
geometry(self) → QRect
grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(- 1, - 1))) → QPixmap
grabGesture(self, type: Qt.GestureType, flags: Qt.GestureFlag = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)
grabMouse(self, a0: Union[QCursor, Qt.CursorShape]) → None
grabShortcut(self, key: Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int
graphicsEffect(self) → QGraphicsEffect
graphicsProxyWidget(self) → QGraphicsProxyWidget
hasFocus(self) → bool
hasHeightForWidth(self) → bool
hasMouseTracking(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, a0: int) → int
heightMM(self) → int
hide(self)
hideEvent(self, a0: QHideEvent)
info(*args, **kwargs)

Shows a popup information message box. For parameter documentation see messagebox.MessageBox.

inherits(self, classname: str) → bool
initFinalize()

Suggested subclass use: perform any remaining initialization.

initLayOut()

Create a vertical layout for the widget (widget_layout) and populate it with two vertical sub-layouts: main_layout and bottom_layout.

If the user has specified the ui data member, insert the resultant ui_widget into main_layout.

If the widget already has a layout defined, this method will produce a warning (but not a traceback). main_layout and bottom_layout will be inserted into the existing widget layout, which will not be the same as widget_layout. It is therefore recommended that this mixin is used only with widgets that do not already have a layout.

Suggested subclass use: create, initialize, and populate layouts.

initPainter(self, painter: QPainter)
initSetDefaults()

Set widget to its default state. If the widget uses a model/mapper, it’s preferable to reset the widget state by resetting the model.

initSetOptions()

Suggested subclass use: set instance variables, excluding layouts and subwidgets. Also use here to (optionally) apply the legacy stylesheet spacing settings (PANEL-19101).

initSetUp()

Creates widget from ui and stores it ui_widget.

Suggested subclass use: create and initialize subwidgets, and connect signals.

inputMethodEvent(self, a0: QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHint
inputMethodQuery(self, a0: Qt.InputMethodQuery) → Any
insertAction(self, before: QAction, action: QAction)
insertActions(self, before: QAction, actions: Iterable[QAction])
installEventFilter(self, a0: QObject)
isActiveWindow(self) → bool
isAncestorOf(self, child: QWidget) → bool
isEnabled(self) → bool
isEnabledTo(self, a0: 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, signal: QMetaMethod) → bool
isVisible(self) → bool
isVisibleTo(self, a0: QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
keyPressEvent(self, a0: QKeyEvent)
keyReleaseEvent(self, a0: QKeyEvent)
keyboardGrabber() → QWidget
killTimer(self, id: int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, a0: QEvent)
locale(self) → QLocale
logicalDpiX(self) → int
logicalDpiY(self) → int
lower(self)
mapFrom(self, a0: QWidget, a1: QPoint) → QPoint
mapFrom(self, a0: QWidget, a1: QPointF) → QPointF
mapFromGlobal(self, a0: QPoint) → QPoint
mapFromGlobal(self, a0: QPointF) → QPointF
mapFromParent(self, a0: QPoint) → QPoint
mapFromParent(self, a0: QPointF) → QPointF
mapTo(self, a0: QWidget, a1: QPoint) → QPoint
mapTo(self, a0: QWidget, a1: QPointF) → QPointF
mapToGlobal(self, a0: QPoint) → QPoint
mapToGlobal(self, a0: QPointF) → QPointF
mapToParent(self, a0: QPoint) → QPoint
mapToParent(self, a0: QPointF) → QPointF
mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, a0: QPaintDevice.PaintDeviceMetric) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
mouseDoubleClickEvent(self, a0: QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, a0: QMouseEvent)
mouseReleaseEvent(self, a0: QMouseEvent)
move(self, a0: QPoint)
move(self, ax: int, ay: int) → None
moveEvent(self, a0: QMoveEvent)
moveToThread(self, thread: QThread)
nativeEvent(self, eventType: QByteArray, message: PyQt6.sip.voidptr) → Tuple[bool, PyQt6.sip.voidptr]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

overrideWindowFlags(self, type: Qt.WindowType)
overrideWindowState(self, state: Qt.WindowState)
paintEngine(self) → QPaintEngine
paintEvent(self, a0: 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, name: str) → Any
pyqtConfigure(...)

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

question(*args, **kwargs)

Shows a popup question message box. For parameter documentation see messagebox.QuestionMessageBox.

raise_(self)
receivers(self, signal: PYQT_SIGNAL) → int
rect(self) → QRect
releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, id: int)
removeAction(self, action: QAction)
removeEventFilter(self, a0: QObject)
render(self, target: QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren))
render(self, painter: QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren)) → None
repaint(self)
repaint(self, x: int, y: int, w: int, h: int) → None
repaint(self, a0: QRect) → None
repaint(self, a0: QRegion) → None
reportValidation(results)

Present validation messages to the user. This is an implmentation of the ValidationMixin interface and does not need to be called directly.

This method assumes that error and question methods have been defined in the subclass, as in e.g. widget_mixins.MessageBoxMixin.

Parameters

results (validation.ValidationResults) – Set of validation results generated by validate

Returns

if True, there were no validation errors and the user decided to continue despite any warnings. If False, there was at least one validation error or the user decided to abort when faced with a warning.

resize(self, a0: QSize)
resize(self, w: int, h: int) → None
resizeEvent(self, a0: QResizeEvent)
restoreGeometry(self, geometry: QByteArray) → bool
run(blocking=False, modal=False, finished_callback=None)

Show this widget, while optionally blocking, making the widget window modal, and registering a callback for when the widget is closed again.

Parameters

  • blocking (bool) – if True, block progress in the calling method until the widget is closed again.

  • modal (bool) – if True, open this widget as window modal. Otherwise, open this widget as nonmodal.

  • finished_callback (a callable object) – an object that will be called with no arguments when this widget is closed.

runValidation(silent=False, validate_children=True, stop_on_fail=True)

Runs validation and reports the results (unless run silently).

Parameters

  • silent (bool) – run without any reporting (i.e. error messages to the user). This is useful if we want to programmatically test validity. Changes return value of this method from ValidationResults to a boolean.

  • validate_children (bool) – run validation on all child objects. See _validateChildren for documentation on what this entails.

  • stop_on_fail (bool) – stop validation when first failure is encountered

Returns

if silent is False, returns the validation results. If silent is True, returns a boolean generated by reportValidation.

Return type

ValidationResults or bool

saveGeometry(self) → QByteArray
screen(self) → QScreen
scroll(self, dx: int, dy: int)
scroll(self, dx: int, dy: int, a2: QRect) → None
sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, on: bool)
setAccessibleDescription(self, description: str)
setAccessibleName(self, name: str)
setAttribute(self, attribute: Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, enabled: bool)
setBackgroundRole(self, a0: QPalette.ColorRole)
setBaseSize(self, basew: int, baseh: int)
setBaseSize(self, s: QSize) → None
setContentsMargins(self, left: int, top: int, right: int, bottom: int)
setContentsMargins(self, margins: QMargins) → None
setContextMenuPolicy(self, policy: Qt.ContextMenuPolicy)
setCursor(self, a0: Union[QCursor, Qt.CursorShape])
setDisabled(self, a0: bool)
setEnabled(self, a0: bool)
setFixedHeight(self, h: int)
setFixedSize(self, a0: QSize)
setFixedSize(self, w: int, h: int) → None
setFixedWidth(self, w: int)
setFocus(self)
setFocus(self, reason: Qt.FocusReason) → None
setFocusPolicy(self, policy: Qt.FocusPolicy)
setFocusProxy(self, a0: QWidget)
setFont(self, a0: QFont)
setForegroundRole(self, a0: QPalette.ColorRole)
setGeometry(self, a0: QRect)
setGeometry(self, ax: int, ay: int, aw: int, ah: int) → None
setGraphicsEffect(self, effect: QGraphicsEffect)
setHidden(self, hidden: bool)
setInputMethodHints(self, hints: Qt.InputMethodHint)
setLayout(self, a0: QLayout)
setLayoutDirection(self, direction: Qt.LayoutDirection)
setLocale(self, locale: QLocale)
setMask(self, a0: QBitmap)
setMask(self, a0: QRegion) → None
setMaximumHeight(self, maxh: int)
setMaximumSize(self, maxw: int, maxh: int)
setMaximumSize(self, s: QSize) → None
setMaximumWidth(self, maxw: int)
setMinimumHeight(self, minh: int)
setMinimumSize(self, minw: int, minh: int)
setMinimumSize(self, s: QSize) → None
setMinimumWidth(self, minw: int)
setMouseTracking(self, enable: bool)
setObjectName(self, name: str)
setPalette(self, a0: QPalette)
setParent(self, parent: QWidget)
setParent(self, parent: QWidget, f: Qt.WindowType) → None
setProperty(self, name: str, value: Any) → bool
setScreen(self, a0: QScreen)
setShortcutAutoRepeat(self, id: int, enabled: bool = True)
setShortcutEnabled(self, id: int, enabled: bool = True)
setSizeIncrement(self, w: int, h: int)
setSizeIncrement(self, s: QSize) → None
setSizePolicy(self, a0: QSizePolicy)
setSizePolicy(self, hor: QSizePolicy.Policy, ver: QSizePolicy.Policy) → None
setStatusTip(self, a0: str)
setStyle(self, a0: QStyle)
setStyleSheet(self, styleSheet: str)
setTabOrder(a0: QWidget, a1: QWidget)
setTabletTracking(self, enable: bool)
setToolTip(self, a0: str)
setToolTipDuration(self, msec: int)
setUpdatesEnabled(self, enable: bool)
setVisible(self, visible: bool)
setWhatsThis(self, a0: str)
setWidgetLayout()

Set the widget layout

setWindowFilePath(self, filePath: str)
setWindowFlag(self, a0: Qt.WindowType, on: bool = True)
setWindowFlags(self, type: Qt.WindowType)
setWindowFlagsForRun()
setWindowIcon(self, icon: QIcon)
setWindowIconText(self, a0: str)
setWindowModality(self, windowModality: Qt.WindowModality)
setWindowModified(self, a0: bool)
setWindowOpacity(self, level: float)
setWindowRole(self, a0: str)
setWindowState(self, state: Qt.WindowState)
setWindowTitle(self, a0: str)
sharedPainter(self) → QPainter
show()

Override the show method to clear and previous value of self.accepted

showEvent(self, a0: QShowEvent)
showFullScreen(self)
showMaximized(self)
showMessageBox(*args, **kwargs)

Shows a popup message box. For parameter documentation see messagebox.MessageBox.

showMinimized(self)
showNormal(self)
signalsBlocked(self) → bool
size(self) → QSize
sizeHint(self) → QSize
sizeIncrement(self) → QSize
sizePolicy(self) → QSizePolicy
stackUnder(self, a0: QWidget)
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
statusTip(self) → str
style(self) → QStyle
styleSheet(self) → str
tabletEvent(self, a0: QTabletEvent)
testAttribute(self, attribute: Qt.WidgetAttribute) → bool
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
underMouse(self) → bool
ungrabGesture(self, type: Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)
update(self, a0: QRect) → None
update(self, a0: QRegion) → None
update(self, ax: int, ay: int, aw: int, ah: int) → None
updateGeometry(self)
updateMicroFocus(self, query: Qt.InputMethodQuery = Qt.ImQueryAll)
updatesEnabled(self) → bool
visibleRegion(self) → QRegion
warning(*args, **kwargs)

Shows a popup warning message box. For parameter documentation see messagebox.MessageBox.

whatsThis(self) → str
wheelEvent(self, a0: QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → PyQt6.sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowType
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, icon: QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, iconText: str) [signal]

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

windowTitleChanged(self, title: str) [signal]

windowType(self) → Qt.WindowType
x(self) → int
y(self) → int
class schrodinger.trajectory.trajectory_gui_dir.plots.ShortcutRow(*args, **kwargs)

Bases: schrodinger.ui.qt.basewidgets.BaseWidget

This class represents a row of advanced plot shortcuts

DEFAULT_PADDING = 50
initLayOut()

Create a vertical layout for the widget (widget_layout) and populate it with two vertical sub-layouts: main_layout and bottom_layout.

If the user has specified the ui data member, insert the resultant ui_widget into main_layout.

If the widget already has a layout defined, this method will produce a warning (but not a traceback). main_layout and bottom_layout will be inserted into the existing widget layout, which will not be the same as widget_layout. It is therefore recommended that this mixin is used only with widgets that do not already have a layout.

Suggested subclass use: create, initialize, and populate layouts.

hasSpace(row_width)

Returns whether the shortcut row has space for another widget

addWidget(wdg)
widgetCount()
getShortcuts()

Returns the shortcut widgets featured in this row

APPLY_LEGACY_STYLESHEET = True
APPLY_PANELX_STYLESHEET = False
class BtnPos(value)

Bases: enum.IntEnum

An enumeration.

Left = 0
Middle = 1
Right = 2
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
class RenderFlag(value)

Bases: enum.Flag

An enumeration.

DrawWindowBackground = 1
DrawChildren = 2
IgnoreMask = 4
SHOW_AS_WINDOW = False
class StdBtn(value)

Bases: enum.IntEnum

An enumeration.

Ok = 0
Cancel = 1
Reset = 2
Help = 3
__init__(*args, **kwargs)
acceptDrops(self) → bool
property accepted
accessibleDescription(self) → str
accessibleName(self) → str
actionEvent(self, a0: QActionEvent)
actions(self) → List[QAction]
activateWindow(self)
addAction(self, action: QAction)
addActions(self, actions: Iterable[QAction])
adjustSize(self)
autoFillBackground(self) → bool
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, b: bool) → bool
changeEvent(self, a0: QEvent)
childAt(self, p: QPoint) → QWidget
childAt(self, ax: int, ay: int) → QWidget
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
childrenRect(self) → QRect
childrenRegion(self) → QRegion
clearFocus(self)
clearMask(self)
close(self) → bool
closeEvent(event)

Ensures proper handling of OK, Cancel, and [X] button clicks

colorCount(self) → int
connectNotify(self, signal: QMetaMethod)
contentsMargins(self) → QMargins
contentsRect(self) → QRect
contextMenuEvent(self, a0: QContextMenuEvent)
contextMenuPolicy(self) → Qt.ContextMenuPolicy
create(self, window: PyQt6.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(window: QWindow, parent: typing.Optional[QWidget] = None, flags: Qt.WindowType = Qt.WindowFlags()) → QWidget
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, pos: QPoint) [signal]

customEvent(self, a0: QEvent)
debug()
deleteLater(self)
depth(self) → int
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)
destroyed

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

devType(self) → int
devicePixelRatio(self) → float
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
dragEnterEvent(self, a0: QDragEnterEvent)
dragLeaveEvent(self, a0: QDragLeaveEvent)
dragMoveEvent(self, a0: QDragMoveEvent)
dropEvent(self, a0: QDropEvent)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
effectiveWinId(self) → PyQt6.sip.voidptr
ensurePolished(self)
enterEvent(self, event: QEnterEvent)
error(*args, **kwargs)

Shows a popup error message box. For parameter documentation see messagebox.MessageBox.

event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
find(a0: PyQt6.sip.voidptr) → QWidget
findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
focusInEvent(self, a0: QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, next: bool) → bool
focusOutEvent(self, a0: 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
forgetMessageBoxResponse(key)

Forgets any previously saved response that was stored via a save_response_key.

Parameters

key – the key for the response to forget

frameGeometry(self) → QRect
frameSize(self) → QSize
geometry(self) → QRect
grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(- 1, - 1))) → QPixmap
grabGesture(self, type: Qt.GestureType, flags: Qt.GestureFlag = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)
grabMouse(self, a0: Union[QCursor, Qt.CursorShape]) → None
grabShortcut(self, key: Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int
graphicsEffect(self) → QGraphicsEffect
graphicsProxyWidget(self) → QGraphicsProxyWidget
hasFocus(self) → bool
hasHeightForWidth(self) → bool
hasMouseTracking(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, a0: int) → int
heightMM(self) → int
hide(self)
hideEvent(self, a0: QHideEvent)
info(*args, **kwargs)

Shows a popup information message box. For parameter documentation see messagebox.MessageBox.

inherits(self, classname: str) → bool
initFinalize()

Suggested subclass use: perform any remaining initialization.

initPainter(self, painter: QPainter)
initSetDefaults()

Set widget to its default state. If the widget uses a model/mapper, it’s preferable to reset the widget state by resetting the model.

initSetOptions()

Suggested subclass use: set instance variables, excluding layouts and subwidgets. Also use here to (optionally) apply the legacy stylesheet spacing settings (PANEL-19101).

initSetUp()

Creates widget from ui and stores it ui_widget.

Suggested subclass use: create and initialize subwidgets, and connect signals.

inputMethodEvent(self, a0: QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHint
inputMethodQuery(self, a0: Qt.InputMethodQuery) → Any
insertAction(self, before: QAction, action: QAction)
insertActions(self, before: QAction, actions: Iterable[QAction])
installEventFilter(self, a0: QObject)
isActiveWindow(self) → bool
isAncestorOf(self, child: QWidget) → bool
isEnabled(self) → bool
isEnabledTo(self, a0: 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, signal: QMetaMethod) → bool
isVisible(self) → bool
isVisibleTo(self, a0: QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
keyPressEvent(self, a0: QKeyEvent)
keyReleaseEvent(self, a0: QKeyEvent)
keyboardGrabber() → QWidget
killTimer(self, id: int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, a0: QEvent)
locale(self) → QLocale
logicalDpiX(self) → int
logicalDpiY(self) → int
lower(self)
mapFrom(self, a0: QWidget, a1: QPoint) → QPoint
mapFrom(self, a0: QWidget, a1: QPointF) → QPointF
mapFromGlobal(self, a0: QPoint) → QPoint
mapFromGlobal(self, a0: QPointF) → QPointF
mapFromParent(self, a0: QPoint) → QPoint
mapFromParent(self, a0: QPointF) → QPointF
mapTo(self, a0: QWidget, a1: QPoint) → QPoint
mapTo(self, a0: QWidget, a1: QPointF) → QPointF
mapToGlobal(self, a0: QPoint) → QPoint
mapToGlobal(self, a0: QPointF) → QPointF
mapToParent(self, a0: QPoint) → QPoint
mapToParent(self, a0: QPointF) → QPointF
mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, a0: QPaintDevice.PaintDeviceMetric) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
mouseDoubleClickEvent(self, a0: QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, a0: QMouseEvent)
mousePressEvent(self, a0: QMouseEvent)
mouseReleaseEvent(self, a0: QMouseEvent)
move(self, a0: QPoint)
move(self, ax: int, ay: int) → None
moveEvent(self, a0: QMoveEvent)
moveToThread(self, thread: QThread)
nativeEvent(self, eventType: QByteArray, message: PyQt6.sip.voidptr) → Tuple[bool, PyQt6.sip.voidptr]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

overrideWindowFlags(self, type: Qt.WindowType)
overrideWindowState(self, state: Qt.WindowState)
paintEngine(self) → QPaintEngine
paintEvent(self, a0: 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, name: str) → Any
pyqtConfigure(...)

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

question(*args, **kwargs)

Shows a popup question message box. For parameter documentation see messagebox.QuestionMessageBox.

raise_(self)
receivers(self, signal: PYQT_SIGNAL) → int
rect(self) → QRect
releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, id: int)
removeAction(self, action: QAction)
removeEventFilter(self, a0: QObject)
render(self, target: QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren))
render(self, painter: QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren)) → None
repaint(self)
repaint(self, x: int, y: int, w: int, h: int) → None
repaint(self, a0: QRect) → None
repaint(self, a0: QRegion) → None
reportValidation(results)

Present validation messages to the user. This is an implmentation of the ValidationMixin interface and does not need to be called directly.

This method assumes that error and question methods have been defined in the subclass, as in e.g. widget_mixins.MessageBoxMixin.

Parameters

results (validation.ValidationResults) – Set of validation results generated by validate

Returns

if True, there were no validation errors and the user decided to continue despite any warnings. If False, there was at least one validation error or the user decided to abort when faced with a warning.

resize(self, a0: QSize)
resize(self, w: int, h: int) → None
resizeEvent(self, a0: QResizeEvent)
restoreGeometry(self, geometry: QByteArray) → bool
run(blocking=False, modal=False, finished_callback=None)

Show this widget, while optionally blocking, making the widget window modal, and registering a callback for when the widget is closed again.

Parameters

  • blocking (bool) – if True, block progress in the calling method until the widget is closed again.

  • modal (bool) – if True, open this widget as window modal. Otherwise, open this widget as nonmodal.

  • finished_callback (a callable object) – an object that will be called with no arguments when this widget is closed.

runValidation(silent=False, validate_children=True, stop_on_fail=True)

Runs validation and reports the results (unless run silently).

Parameters

  • silent (bool) – run without any reporting (i.e. error messages to the user). This is useful if we want to programmatically test validity. Changes return value of this method from ValidationResults to a boolean.

  • validate_children (bool) – run validation on all child objects. See _validateChildren for documentation on what this entails.

  • stop_on_fail (bool) – stop validation when first failure is encountered

Returns

if silent is False, returns the validation results. If silent is True, returns a boolean generated by reportValidation.

Return type

ValidationResults or bool

saveGeometry(self) → QByteArray
screen(self) → QScreen
scroll(self, dx: int, dy: int)
scroll(self, dx: int, dy: int, a2: QRect) → None
sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, on: bool)
setAccessibleDescription(self, description: str)
setAccessibleName(self, name: str)
setAttribute(self, attribute: Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, enabled: bool)
setBackgroundRole(self, a0: QPalette.ColorRole)
setBaseSize(self, basew: int, baseh: int)
setBaseSize(self, s: QSize) → None
setContentsMargins(self, left: int, top: int, right: int, bottom: int)
setContentsMargins(self, margins: QMargins) → None
setContextMenuPolicy(self, policy: Qt.ContextMenuPolicy)
setCursor(self, a0: Union[QCursor, Qt.CursorShape])
setDisabled(self, a0: bool)
setEnabled(self, a0: bool)
setFixedHeight(self, h: int)
setFixedSize(self, a0: QSize)
setFixedSize(self, w: int, h: int) → None
setFixedWidth(self, w: int)
setFocus(self)
setFocus(self, reason: Qt.FocusReason) → None
setFocusPolicy(self, policy: Qt.FocusPolicy)
setFocusProxy(self, a0: QWidget)
setFont(self, a0: QFont)
setForegroundRole(self, a0: QPalette.ColorRole)
setGeometry(self, a0: QRect)
setGeometry(self, ax: int, ay: int, aw: int, ah: int) → None
setGraphicsEffect(self, effect: QGraphicsEffect)
setHidden(self, hidden: bool)
setInputMethodHints(self, hints: Qt.InputMethodHint)
setLayout(self, a0: QLayout)
setLayoutDirection(self, direction: Qt.LayoutDirection)
setLocale(self, locale: QLocale)
setMask(self, a0: QBitmap)
setMask(self, a0: QRegion) → None
setMaximumHeight(self, maxh: int)
setMaximumSize(self, maxw: int, maxh: int)
setMaximumSize(self, s: QSize) → None
setMaximumWidth(self, maxw: int)
setMinimumHeight(self, minh: int)
setMinimumSize(self, minw: int, minh: int)
setMinimumSize(self, s: QSize) → None
setMinimumWidth(self, minw: int)
setMouseTracking(self, enable: bool)
setObjectName(self, name: str)
setPalette(self, a0: QPalette)
setParent(self, parent: QWidget)
setParent(self, parent: QWidget, f: Qt.WindowType) → None
setProperty(self, name: str, value: Any) → bool
setScreen(self, a0: QScreen)
setShortcutAutoRepeat(self, id: int, enabled: bool = True)
setShortcutEnabled(self, id: int, enabled: bool = True)
setSizeIncrement(self, w: int, h: int)
setSizeIncrement(self, s: QSize) → None
setSizePolicy(self, a0: QSizePolicy)
setSizePolicy(self, hor: QSizePolicy.Policy, ver: QSizePolicy.Policy) → None
setStatusTip(self, a0: str)
setStyle(self, a0: QStyle)
setStyleSheet(self, styleSheet: str)
setTabOrder(a0: QWidget, a1: QWidget)
setTabletTracking(self, enable: bool)
setToolTip(self, a0: str)
setToolTipDuration(self, msec: int)
setUpdatesEnabled(self, enable: bool)
setVisible(self, visible: bool)
setWhatsThis(self, a0: str)
setWidgetLayout()

Set the widget layout

setWindowFilePath(self, filePath: str)
setWindowFlag(self, a0: Qt.WindowType, on: bool = True)
setWindowFlags(self, type: Qt.WindowType)
setWindowFlagsForRun()
setWindowIcon(self, icon: QIcon)
setWindowIconText(self, a0: str)
setWindowModality(self, windowModality: Qt.WindowModality)
setWindowModified(self, a0: bool)
setWindowOpacity(self, level: float)
setWindowRole(self, a0: str)
setWindowState(self, state: Qt.WindowState)
setWindowTitle(self, a0: str)
sharedPainter(self) → QPainter
show()

Override the show method to clear and previous value of self.accepted

showEvent(self, a0: QShowEvent)
showFullScreen(self)
showMaximized(self)
showMessageBox(*args, **kwargs)

Shows a popup message box. For parameter documentation see messagebox.MessageBox.

showMinimized(self)
showNormal(self)
signalsBlocked(self) → bool
size(self) → QSize
sizeHint(self) → QSize
sizeIncrement(self) → QSize
sizePolicy(self) → QSizePolicy
stackUnder(self, a0: QWidget)
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
statusTip(self) → str
style(self) → QStyle
styleSheet(self) → str
tabletEvent(self, a0: QTabletEvent)
testAttribute(self, attribute: Qt.WidgetAttribute) → bool
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
ui_module = None
underMouse(self) → bool
ungrabGesture(self, type: Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)
update(self, a0: QRect) → None
update(self, a0: QRegion) → None
update(self, ax: int, ay: int, aw: int, ah: int) → None
updateGeometry(self)
updateMicroFocus(self, query: Qt.InputMethodQuery = Qt.ImQueryAll)
updatesEnabled(self) → bool
visibleRegion(self) → QRegion
warning(*args, **kwargs)

Shows a popup warning message box. For parameter documentation see messagebox.MessageBox.

whatsThis(self) → str
wheelEvent(self, a0: QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → PyQt6.sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowType
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, icon: QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, iconText: str) [signal]

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

windowTitleChanged(self, title: str) [signal]

windowType(self) → Qt.WindowType
x(self) → int
y(self) → int
class schrodinger.trajectory.trajectory_gui_dir.plots.OutputAxis

Bases: PyQt6.QtCharts.QValueAxis

class AxisType(value)

Bases: enum.Flag

An enumeration.

AxisTypeNoAxis = 0
AxisTypeValue = 1
AxisTypeBarCategory = 2
AxisTypeCategory = 4
AxisTypeDateTime = 8
AxisTypeLogValue = 16
AxisTypeColor = 32
AxisTypeBarCategory = 2
AxisTypeCategory = 4
AxisTypeColor = 32
AxisTypeDateTime = 8
AxisTypeLogValue = 16
AxisTypeNoAxis = 0
AxisTypeValue = 1
class TickType(value)

Bases: enum.Enum

An enumeration.

TicksDynamic = 0
TicksFixed = 1
TicksDynamic = 0
TicksFixed = 1
__init__(*args, **kwargs)
alignment(self) → Qt.AlignmentFlag
applyNiceNumbers(self)
blockSignals(self, b: bool) → bool
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
colorChanged

colorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

connectNotify(self, signal: QMetaMethod)
customEvent(self, a0: QEvent)
deleteLater(self)
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
gridLineColor(self) → QColor
gridLineColorChanged

gridLineColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

gridLinePen(self) → QPen
gridLinePenChanged

gridLinePenChanged(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient]) [signal]

gridVisibleChanged

gridVisibleChanged(self, visible: bool) [signal]

hide(self)
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isGridLineVisible(self) → bool
isLineVisible(self) → bool
isMinorGridLineVisible(self) → bool
isReverse(self) → bool
isSignalConnected(self, signal: QMetaMethod) → bool
isTitleVisible(self) → bool
isVisible(self) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
labelFormat(self) → str
labelFormatChanged

labelFormatChanged(self, format: str) [signal]

labelsAngle(self) → int
labelsAngleChanged

labelsAngleChanged(self, angle: int) [signal]

labelsBrush(self) → QBrush
labelsBrushChanged

labelsBrushChanged(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient]) [signal]

labelsColor(self) → QColor
labelsColorChanged

labelsColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

labelsEditable(self) → bool
labelsEditableChanged

labelsEditableChanged(self, editable: bool) [signal]

labelsFont(self) → QFont
labelsFontChanged

labelsFontChanged(self, pen: QFont) [signal]

labelsTruncated(self) → bool
labelsTruncatedChanged

labelsTruncatedChanged(self, labelsTruncated: bool) [signal]

labelsVisible(self) → bool
labelsVisibleChanged

labelsVisibleChanged(self, visible: bool) [signal]

linePen(self) → QPen
linePenChanged

linePenChanged(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient]) [signal]

linePenColor(self) → QColor
lineVisibleChanged

lineVisibleChanged(self, visible: bool) [signal]

max(self) → float
maxChanged

maxChanged(self, max: float) [signal]

metaObject(self) → QMetaObject
min(self) → float
minChanged

minChanged(self, min: float) [signal]

minorGridLineColor(self) → QColor
minorGridLineColorChanged

minorGridLineColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

minorGridLinePen(self) → QPen
minorGridLinePenChanged

minorGridLinePenChanged(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient]) [signal]

minorGridVisibleChanged

minorGridVisibleChanged(self, visible: bool) [signal]

minorTickCount(self) → int
minorTickCountChanged

minorTickCountChanged(self, tickCount: int) [signal]

moveToThread(self, thread: QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

orientation(self) → Qt.Orientation
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

rangeChanged

rangeChanged(self, min: float, max: float) [signal]

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
reverseChanged

reverseChanged(self, reverse: bool) [signal]

sender(self) → QObject
senderSignalIndex(self) → int
setGridLineColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setGridLinePen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setGridLineVisible(self, visible: bool = True)
setLabelFormat(self, format: str)
setLabelsAngle(self, angle: int)
setLabelsBrush(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient])
setLabelsColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setLabelsEditable(self, editable: bool = True)
setLabelsFont(self, font: QFont)
setLabelsVisible(self, visible: bool = True)
setLinePen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setLinePenColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setLineVisible(self, visible: bool = True)
setMax(self, max: float)
setMin(self, min: float)
setMinorGridLineColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setMinorGridLinePen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setMinorGridLineVisible(self, visible: bool = True)
setMinorTickCount(self, count: int)
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setRange(self, min: float, max: float)
setReverse(self, reverse: bool = True)
setShadesBorderColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setShadesBrush(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient])
setShadesColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setShadesPen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setShadesVisible(self, visible: bool = True)
setTickAnchor(self, anchor: float)
setTickCount(self, count: int)
setTickInterval(self, insterval: float)
setTickType(self, type: QValueAxis.TickType)
setTitleBrush(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient])
setTitleFont(self, font: QFont)
setTitleText(self, title: str)
setTitleVisible(self, visible: bool = True)
setTruncateLabels(self, truncateLabels: bool = True)
setVisible(self, visible: bool = True)
shadesBorderColor(self) → QColor
shadesBorderColorChanged

shadesBorderColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

shadesBrush(self) → QBrush
shadesBrushChanged

shadesBrushChanged(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient]) [signal]

shadesColor(self) → QColor
shadesColorChanged

shadesColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

shadesPen(self) → QPen
shadesPenChanged

shadesPenChanged(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient]) [signal]

shadesVisible(self) → bool
shadesVisibleChanged

shadesVisibleChanged(self, visible: bool) [signal]

show(self)
signalsBlocked(self) → bool
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
tickAnchor(self) → float
tickAnchorChanged

tickAnchorChanged(self, anchor: float) [signal]

tickCount(self) → int
tickCountChanged

tickCountChanged(self, tickCount: int) [signal]

tickInterval(self) → float
tickIntervalChanged

tickIntervalChanged(self, interval: float) [signal]

tickType(self) → QValueAxis.TickType
tickTypeChanged

tickTypeChanged(self, type: QValueAxis.TickType) [signal]

timerEvent(self, a0: QTimerEvent)
titleBrush(self) → QBrush
titleBrushChanged

titleBrushChanged(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient]) [signal]

titleFont(self) → QFont
titleFontChanged

titleFontChanged(self, font: QFont) [signal]

titleText(self) → str
titleTextChanged

titleTextChanged(self, title: str) [signal]

titleVisibleChanged

titleVisibleChanged(self, visible: bool) [signal]

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

truncateLabelsChanged(self, truncateLabels: bool) [signal]

type(self) → QAbstractAxis.AxisType
visibleChanged

visibleChanged(self, visible: bool) [signal]

class schrodinger.trajectory.trajectory_gui_dir.plots.BFactorAxis

Bases: PyQt6.QtCharts.QValueAxis

class AxisType(value)

Bases: enum.Flag

An enumeration.

AxisTypeNoAxis = 0
AxisTypeValue = 1
AxisTypeBarCategory = 2
AxisTypeCategory = 4
AxisTypeDateTime = 8
AxisTypeLogValue = 16
AxisTypeColor = 32
AxisTypeBarCategory = 2
AxisTypeCategory = 4
AxisTypeColor = 32
AxisTypeDateTime = 8
AxisTypeLogValue = 16
AxisTypeNoAxis = 0
AxisTypeValue = 1
class TickType(value)

Bases: enum.Enum

An enumeration.

TicksDynamic = 0
TicksFixed = 1
TicksDynamic = 0
TicksFixed = 1
__init__(*args, **kwargs)
alignment(self) → Qt.AlignmentFlag
applyNiceNumbers(self)
blockSignals(self, b: bool) → bool
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
colorChanged

colorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

connectNotify(self, signal: QMetaMethod)
customEvent(self, a0: QEvent)
deleteLater(self)
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
gridLineColor(self) → QColor
gridLineColorChanged

gridLineColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

gridLinePen(self) → QPen
gridLinePenChanged

gridLinePenChanged(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient]) [signal]

gridVisibleChanged

gridVisibleChanged(self, visible: bool) [signal]

hide(self)
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isGridLineVisible(self) → bool
isLineVisible(self) → bool
isMinorGridLineVisible(self) → bool
isReverse(self) → bool
isSignalConnected(self, signal: QMetaMethod) → bool
isTitleVisible(self) → bool
isVisible(self) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
labelFormat(self) → str
labelFormatChanged

labelFormatChanged(self, format: str) [signal]

labelsAngle(self) → int
labelsAngleChanged

labelsAngleChanged(self, angle: int) [signal]

labelsBrush(self) → QBrush
labelsBrushChanged

labelsBrushChanged(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient]) [signal]

labelsColor(self) → QColor
labelsColorChanged

labelsColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

labelsEditable(self) → bool
labelsEditableChanged

labelsEditableChanged(self, editable: bool) [signal]

labelsFont(self) → QFont
labelsFontChanged

labelsFontChanged(self, pen: QFont) [signal]

labelsTruncated(self) → bool
labelsTruncatedChanged

labelsTruncatedChanged(self, labelsTruncated: bool) [signal]

labelsVisible(self) → bool
labelsVisibleChanged

labelsVisibleChanged(self, visible: bool) [signal]

linePen(self) → QPen
linePenChanged

linePenChanged(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient]) [signal]

linePenColor(self) → QColor
lineVisibleChanged

lineVisibleChanged(self, visible: bool) [signal]

max(self) → float
maxChanged

maxChanged(self, max: float) [signal]

metaObject(self) → QMetaObject
min(self) → float
minChanged

minChanged(self, min: float) [signal]

minorGridLineColor(self) → QColor
minorGridLineColorChanged

minorGridLineColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

minorGridLinePen(self) → QPen
minorGridLinePenChanged

minorGridLinePenChanged(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient]) [signal]

minorGridVisibleChanged

minorGridVisibleChanged(self, visible: bool) [signal]

minorTickCount(self) → int
minorTickCountChanged

minorTickCountChanged(self, tickCount: int) [signal]

moveToThread(self, thread: QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

orientation(self) → Qt.Orientation
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

rangeChanged

rangeChanged(self, min: float, max: float) [signal]

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
reverseChanged

reverseChanged(self, reverse: bool) [signal]

sender(self) → QObject
senderSignalIndex(self) → int
setGridLineColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setGridLinePen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setGridLineVisible(self, visible: bool = True)
setLabelFormat(self, format: str)
setLabelsAngle(self, angle: int)
setLabelsBrush(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient])
setLabelsColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setLabelsEditable(self, editable: bool = True)
setLabelsFont(self, font: QFont)
setLabelsVisible(self, visible: bool = True)
setLinePen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setLinePenColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setLineVisible(self, visible: bool = True)
setMax(self, max: float)
setMin(self, min: float)
setMinorGridLineColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setMinorGridLinePen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setMinorGridLineVisible(self, visible: bool = True)
setMinorTickCount(self, count: int)
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setRange(self, min: float, max: float)
setReverse(self, reverse: bool = True)
setShadesBorderColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setShadesBrush(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient])
setShadesColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setShadesPen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setShadesVisible(self, visible: bool = True)
setTickAnchor(self, anchor: float)
setTickCount(self, count: int)
setTickInterval(self, insterval: float)
setTickType(self, type: QValueAxis.TickType)
setTitleBrush(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient])
setTitleFont(self, font: QFont)
setTitleText(self, title: str)
setTitleVisible(self, visible: bool = True)
setTruncateLabels(self, truncateLabels: bool = True)
setVisible(self, visible: bool = True)
shadesBorderColor(self) → QColor
shadesBorderColorChanged

shadesBorderColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

shadesBrush(self) → QBrush
shadesBrushChanged

shadesBrushChanged(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient]) [signal]

shadesColor(self) → QColor
shadesColorChanged

shadesColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

shadesPen(self) → QPen
shadesPenChanged

shadesPenChanged(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient]) [signal]

shadesVisible(self) → bool
shadesVisibleChanged

shadesVisibleChanged(self, visible: bool) [signal]

show(self)
signalsBlocked(self) → bool
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
tickAnchor(self) → float
tickAnchorChanged

tickAnchorChanged(self, anchor: float) [signal]

tickCount(self) → int
tickCountChanged

tickCountChanged(self, tickCount: int) [signal]

tickInterval(self) → float
tickIntervalChanged

tickIntervalChanged(self, interval: float) [signal]

tickType(self) → QValueAxis.TickType
tickTypeChanged

tickTypeChanged(self, type: QValueAxis.TickType) [signal]

timerEvent(self, a0: QTimerEvent)
titleBrush(self) → QBrush
titleBrushChanged

titleBrushChanged(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient]) [signal]

titleFont(self) → QFont
titleFontChanged

titleFontChanged(self, font: QFont) [signal]

titleText(self) → str
titleTextChanged

titleTextChanged(self, title: str) [signal]

titleVisibleChanged

titleVisibleChanged(self, visible: bool) [signal]

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

truncateLabelsChanged(self, truncateLabels: bool) [signal]

type(self) → QAbstractAxis.AxisType
visibleChanged

visibleChanged(self, visible: bool) [signal]

class schrodinger.trajectory.trajectory_gui_dir.plots.SecondaryStructureAxis

Bases: PyQt6.QtCharts.QValueAxis

class AxisType(value)

Bases: enum.Flag

An enumeration.

AxisTypeNoAxis = 0
AxisTypeValue = 1
AxisTypeBarCategory = 2
AxisTypeCategory = 4
AxisTypeDateTime = 8
AxisTypeLogValue = 16
AxisTypeColor = 32
AxisTypeBarCategory = 2
AxisTypeCategory = 4
AxisTypeColor = 32
AxisTypeDateTime = 8
AxisTypeLogValue = 16
AxisTypeNoAxis = 0
AxisTypeValue = 1
class TickType(value)

Bases: enum.Enum

An enumeration.

TicksDynamic = 0
TicksFixed = 1
TicksDynamic = 0
TicksFixed = 1
__init__(*args, **kwargs)
alignment(self) → Qt.AlignmentFlag
applyNiceNumbers(self)
blockSignals(self, b: bool) → bool
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
colorChanged

colorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

connectNotify(self, signal: QMetaMethod)
customEvent(self, a0: QEvent)
deleteLater(self)
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
gridLineColor(self) → QColor
gridLineColorChanged

gridLineColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

gridLinePen(self) → QPen
gridLinePenChanged

gridLinePenChanged(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient]) [signal]

gridVisibleChanged

gridVisibleChanged(self, visible: bool) [signal]

hide(self)
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isGridLineVisible(self) → bool
isLineVisible(self) → bool
isMinorGridLineVisible(self) → bool
isReverse(self) → bool
isSignalConnected(self, signal: QMetaMethod) → bool
isTitleVisible(self) → bool
isVisible(self) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
labelFormat(self) → str
labelFormatChanged

labelFormatChanged(self, format: str) [signal]

labelsAngle(self) → int
labelsAngleChanged

labelsAngleChanged(self, angle: int) [signal]

labelsBrush(self) → QBrush
labelsBrushChanged

labelsBrushChanged(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient]) [signal]

labelsColor(self) → QColor
labelsColorChanged

labelsColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

labelsEditable(self) → bool
labelsEditableChanged

labelsEditableChanged(self, editable: bool) [signal]

labelsFont(self) → QFont
labelsFontChanged

labelsFontChanged(self, pen: QFont) [signal]

labelsTruncated(self) → bool
labelsTruncatedChanged

labelsTruncatedChanged(self, labelsTruncated: bool) [signal]

labelsVisible(self) → bool
labelsVisibleChanged

labelsVisibleChanged(self, visible: bool) [signal]

linePen(self) → QPen
linePenChanged

linePenChanged(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient]) [signal]

linePenColor(self) → QColor
lineVisibleChanged

lineVisibleChanged(self, visible: bool) [signal]

max(self) → float
maxChanged

maxChanged(self, max: float) [signal]

metaObject(self) → QMetaObject
min(self) → float
minChanged

minChanged(self, min: float) [signal]

minorGridLineColor(self) → QColor
minorGridLineColorChanged

minorGridLineColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

minorGridLinePen(self) → QPen
minorGridLinePenChanged

minorGridLinePenChanged(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient]) [signal]

minorGridVisibleChanged

minorGridVisibleChanged(self, visible: bool) [signal]

minorTickCount(self) → int
minorTickCountChanged

minorTickCountChanged(self, tickCount: int) [signal]

moveToThread(self, thread: QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

orientation(self) → Qt.Orientation
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

rangeChanged

rangeChanged(self, min: float, max: float) [signal]

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
reverseChanged

reverseChanged(self, reverse: bool) [signal]

sender(self) → QObject
senderSignalIndex(self) → int
setGridLineColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setGridLinePen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setGridLineVisible(self, visible: bool = True)
setLabelFormat(self, format: str)
setLabelsAngle(self, angle: int)
setLabelsBrush(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient])
setLabelsColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setLabelsEditable(self, editable: bool = True)
setLabelsFont(self, font: QFont)
setLabelsVisible(self, visible: bool = True)
setLinePen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setLinePenColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setLineVisible(self, visible: bool = True)
setMax(self, max: float)
setMin(self, min: float)
setMinorGridLineColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setMinorGridLinePen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setMinorGridLineVisible(self, visible: bool = True)
setMinorTickCount(self, count: int)
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setRange(self, min: float, max: float)
setReverse(self, reverse: bool = True)
setShadesBorderColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setShadesBrush(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient])
setShadesColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setShadesPen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setShadesVisible(self, visible: bool = True)
setTickAnchor(self, anchor: float)
setTickCount(self, count: int)
setTickInterval(self, insterval: float)
setTickType(self, type: QValueAxis.TickType)
setTitleBrush(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient])
setTitleFont(self, font: QFont)
setTitleText(self, title: str)
setTitleVisible(self, visible: bool = True)
setTruncateLabels(self, truncateLabels: bool = True)
setVisible(self, visible: bool = True)
shadesBorderColor(self) → QColor
shadesBorderColorChanged

shadesBorderColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

shadesBrush(self) → QBrush
shadesBrushChanged

shadesBrushChanged(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient]) [signal]

shadesColor(self) → QColor
shadesColorChanged

shadesColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

shadesPen(self) → QPen
shadesPenChanged

shadesPenChanged(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient]) [signal]

shadesVisible(self) → bool
shadesVisibleChanged

shadesVisibleChanged(self, visible: bool) [signal]

show(self)
signalsBlocked(self) → bool
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
tickAnchor(self) → float
tickAnchorChanged

tickAnchorChanged(self, anchor: float) [signal]

tickCount(self) → int
tickCountChanged

tickCountChanged(self, tickCount: int) [signal]

tickInterval(self) → float
tickIntervalChanged

tickIntervalChanged(self, interval: float) [signal]

tickType(self) → QValueAxis.TickType
tickTypeChanged

tickTypeChanged(self, type: QValueAxis.TickType) [signal]

timerEvent(self, a0: QTimerEvent)
titleBrush(self) → QBrush
titleBrushChanged

titleBrushChanged(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient]) [signal]

titleFont(self) → QFont
titleFontChanged

titleFontChanged(self, font: QFont) [signal]

titleText(self) → str
titleTextChanged

titleTextChanged(self, title: str) [signal]

titleVisibleChanged

titleVisibleChanged(self, visible: bool) [signal]

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

truncateLabelsChanged(self, truncateLabels: bool) [signal]

type(self) → QAbstractAxis.AxisType
visibleChanged

visibleChanged(self, visible: bool) [signal]

class schrodinger.trajectory.trajectory_gui_dir.plots.OutputSeries

Bases: PyQt6.QtCharts.QLineSeries

class PointConfiguration(value)

Bases: enum.Enum

An enumeration.

Color = 0
Size = 1
Visibility = 2
LabelVisibility = 3
class SeriesType(value)

Bases: enum.Enum

An enumeration.

SeriesTypeLine = 0
SeriesTypeArea = 1
SeriesTypeBar = 2
SeriesTypeStackedBar = 3
SeriesTypePercentBar = 4
SeriesTypePie = 5
SeriesTypeScatter = 6
SeriesTypeSpline = 7
SeriesTypeHorizontalBar = 8
SeriesTypeHorizontalStackedBar = 9
SeriesTypeHorizontalPercentBar = 10
SeriesTypeBoxPlot = 11
SeriesTypeCandlestick = 12
SeriesTypeArea = 1
SeriesTypeBar = 2
SeriesTypeBoxPlot = 11
SeriesTypeCandlestick = 12
SeriesTypeHorizontalBar = 8
SeriesTypeHorizontalPercentBar = 10
SeriesTypeHorizontalStackedBar = 9
SeriesTypeLine = 0
SeriesTypePercentBar = 4
SeriesTypePie = 5
SeriesTypeScatter = 6
SeriesTypeSpline = 7
SeriesTypeStackedBar = 3
__init__(*args, **kwargs)
__len__()

Return len(self).

append(self, x: float, y: float)
append(self, point: QPointF) → None
append(self, points: Iterable[QPointF]) → None
at(self, index: int) → QPointF
attachAxis(self, axis: QAbstractAxis) → bool
attachedAxes(self) → List[QAbstractAxis]
bestFitLineColor(self) → QColor
bestFitLineColorChanged

bestFitLineColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

bestFitLineEquation(self) → Tuple[Tuple[float, float], bool]
bestFitLinePen(self) → QPen
bestFitLinePenChanged

bestFitLinePenChanged(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient]) [signal]

bestFitLineVisibilityChanged

bestFitLineVisibilityChanged(self, visible: bool) [signal]

bestFitLineVisible(self) → bool
blockSignals(self, b: bool) → bool
brush(self) → QBrush
chart(self) → QChart
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
clear(self)
clearPointConfiguration(self, index: int, key: QXYSeries.PointConfiguration)
clearPointConfiguration(self, index: int) → None
clearPointsConfiguration(self, key: QXYSeries.PointConfiguration)
clearPointsConfiguration(self) → None
clicked

clicked(self, point: QPointF) [signal]

color(self) → QColor
colorBy(self, sourceData: Iterable[float], gradient: QLinearGradient = QLinearGradient())
colorChanged

colorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

connectNotify(self, signal: QMetaMethod)
count(self) → int
customEvent(self, a0: QEvent)
deleteLater(self)
deselectAllPoints(self)
deselectPoint(self, index: int)
deselectPoints(self, indexes: Iterable[int])
destroyed

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

detachAxis(self, axis: QAbstractAxis) → bool
disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
doubleClicked

doubleClicked(self, point: QPointF) [signal]

dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
hide(self)
hovered

hovered(self, point: QPointF, state: bool) [signal]

inherits(self, classname: str) → bool
insert(self, index: int, point: QPointF)
installEventFilter(self, a0: QObject)
isPointSelected(self, index: int) → bool
isSignalConnected(self, signal: QMetaMethod) → bool
isVisible(self) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
lightMarker(self) → QImage
lightMarkerChanged

lightMarkerChanged(self, lightMarker: QImage) [signal]

markerSize(self) → float
markerSizeChanged

markerSizeChanged(self, size: float) [signal]

metaObject(self) → QMetaObject
moveToThread(self, thread: QThread)
name(self) → str
nameChanged

nameChanged(self) [signal]

objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

opacity(self) → float
opacityChanged

opacityChanged(self) [signal]

parent(self) → QObject
pen(self) → QPen
penChanged

penChanged(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient]) [signal]

pointAdded

pointAdded(self, index: int) [signal]

pointConfiguration(self, index: int) → Dict[QXYSeries.PointConfiguration, Any]
pointLabelsClipping(self) → bool
pointLabelsClippingChanged

pointLabelsClippingChanged(self, clipping: bool) [signal]

pointLabelsColor(self) → QColor
pointLabelsColorChanged

pointLabelsColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

pointLabelsFont(self) → QFont
pointLabelsFontChanged

pointLabelsFontChanged(self, font: QFont) [signal]

pointLabelsFormat(self) → str
pointLabelsFormatChanged

pointLabelsFormatChanged(self, format: str) [signal]

pointLabelsVisibilityChanged

pointLabelsVisibilityChanged(self, visible: bool) [signal]

pointLabelsVisible(self) → bool
pointRemoved

pointRemoved(self, index: int) [signal]

pointReplaced

pointReplaced(self, index: int) [signal]

points(self) → List[QPointF]
pointsConfiguration(self) → Dict[int, Dict[QXYSeries.PointConfiguration, Any]]
pointsConfigurationChanged

pointsConfigurationChanged(self, configuration: Dict[int, Dict[QXYSeries.PointConfiguration, Any]]) [signal]

pointsRemoved

pointsRemoved(self, index: int, count: int) [signal]

pointsReplaced

pointsReplaced(self) [signal]

pointsVisible(self) → bool
pressed

pressed(self, point: QPointF) [signal]

property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
released

released(self, point: QPointF) [signal]

remove(self, x: float, y: float)
remove(self, point: QPointF) → None
remove(self, index: int) → None
removeEventFilter(self, a0: QObject)
removePoints(self, index: int, count: int)
replace(self, oldX: float, oldY: float, newX: float, newY: float)
replace(self, oldPoint: QPointF, newPoint: QPointF) → None
replace(self, points: Iterable[QPointF]) → None
replace(self, index: int, newX: float, newY: float) → None
replace(self, index: int, newPoint: QPointF) → None
selectAllPoints(self)
selectPoint(self, index: int)
selectPoints(self, indexes: Iterable[int])
selectedColor(self) → QColor
selectedColorChanged

selectedColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

selectedLightMarker(self) → QImage
selectedLightMarkerChanged

selectedLightMarkerChanged(self, selectedLightMarker: QImage) [signal]

selectedPoints(self) → List[int]
selectedPointsChanged

selectedPointsChanged(self) [signal]

sender(self) → QObject
senderSignalIndex(self) → int
setBestFitLineColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setBestFitLinePen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setBestFitLineVisible(self, visible: bool = True)
setBrush(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient])
setColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setLightMarker(self, lightMarker: QImage)
setMarkerSize(self, size: float)
setName(self, name: str)
setObjectName(self, name: str)
setOpacity(self, opacity: float)
setParent(self, a0: QObject)
setPen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setPointConfiguration(self, index: int, key: QXYSeries.PointConfiguration, value: Any)
setPointConfiguration(self, index: int, configuration: Dict[QXYSeries.PointConfiguration, Any]) → None
setPointLabelsClipping(self, enable: bool = True)
setPointLabelsColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setPointLabelsFont(self, font: QFont)
setPointLabelsFormat(self, format: str)
setPointLabelsVisible(self, visible: bool = True)
setPointSelected(self, index: int, selected: bool)
setPointsConfiguration(self, pointsConfiguration: Dict[int, Dict[QXYSeries.PointConfiguration, Any]])
setPointsVisible(self, visible: bool = True)
setProperty(self, name: str, value: Any) → bool
setSelectedColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setSelectedLightMarker(self, selectedLightMarker: QImage)
setUseOpenGL(self, enable: bool = True)
setVisible(self, visible: bool = True)
show(self)
signalsBlocked(self) → bool
sizeBy(self, sourceData: Iterable[float], minSize: float, maxSize: float)
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
toggleSelection(self, indexes: Iterable[int])
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
type(self) → QAbstractSeries.SeriesType
useOpenGL(self) → bool
useOpenGLChanged

useOpenGLChanged(self) [signal]

visibleChanged

visibleChanged(self) [signal]

class schrodinger.trajectory.trajectory_gui_dir.plots.BFactorSeries

Bases: PyQt6.QtCharts.QLineSeries

class PointConfiguration(value)

Bases: enum.Enum

An enumeration.

Color = 0
Size = 1
Visibility = 2
LabelVisibility = 3
class SeriesType(value)

Bases: enum.Enum

An enumeration.

SeriesTypeLine = 0
SeriesTypeArea = 1
SeriesTypeBar = 2
SeriesTypeStackedBar = 3
SeriesTypePercentBar = 4
SeriesTypePie = 5
SeriesTypeScatter = 6
SeriesTypeSpline = 7
SeriesTypeHorizontalBar = 8
SeriesTypeHorizontalStackedBar = 9
SeriesTypeHorizontalPercentBar = 10
SeriesTypeBoxPlot = 11
SeriesTypeCandlestick = 12
SeriesTypeArea = 1
SeriesTypeBar = 2
SeriesTypeBoxPlot = 11
SeriesTypeCandlestick = 12
SeriesTypeHorizontalBar = 8
SeriesTypeHorizontalPercentBar = 10
SeriesTypeHorizontalStackedBar = 9
SeriesTypeLine = 0
SeriesTypePercentBar = 4
SeriesTypePie = 5
SeriesTypeScatter = 6
SeriesTypeSpline = 7
SeriesTypeStackedBar = 3
__init__(*args, **kwargs)
__len__()

Return len(self).

append(self, x: float, y: float)
append(self, point: QPointF) → None
append(self, points: Iterable[QPointF]) → None
at(self, index: int) → QPointF
attachAxis(self, axis: QAbstractAxis) → bool
attachedAxes(self) → List[QAbstractAxis]
bestFitLineColor(self) → QColor
bestFitLineColorChanged

bestFitLineColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

bestFitLineEquation(self) → Tuple[Tuple[float, float], bool]
bestFitLinePen(self) → QPen
bestFitLinePenChanged

bestFitLinePenChanged(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient]) [signal]

bestFitLineVisibilityChanged

bestFitLineVisibilityChanged(self, visible: bool) [signal]

bestFitLineVisible(self) → bool
blockSignals(self, b: bool) → bool
brush(self) → QBrush
chart(self) → QChart
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
clear(self)
clearPointConfiguration(self, index: int, key: QXYSeries.PointConfiguration)
clearPointConfiguration(self, index: int) → None
clearPointsConfiguration(self, key: QXYSeries.PointConfiguration)
clearPointsConfiguration(self) → None
clicked

clicked(self, point: QPointF) [signal]

color(self) → QColor
colorBy(self, sourceData: Iterable[float], gradient: QLinearGradient = QLinearGradient())
colorChanged

colorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

connectNotify(self, signal: QMetaMethod)
count(self) → int
customEvent(self, a0: QEvent)
deleteLater(self)
deselectAllPoints(self)
deselectPoint(self, index: int)
deselectPoints(self, indexes: Iterable[int])
destroyed

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

detachAxis(self, axis: QAbstractAxis) → bool
disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
doubleClicked

doubleClicked(self, point: QPointF) [signal]

dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
hide(self)
hovered

hovered(self, point: QPointF, state: bool) [signal]

inherits(self, classname: str) → bool
insert(self, index: int, point: QPointF)
installEventFilter(self, a0: QObject)
isPointSelected(self, index: int) → bool
isSignalConnected(self, signal: QMetaMethod) → bool
isVisible(self) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
lightMarker(self) → QImage
lightMarkerChanged

lightMarkerChanged(self, lightMarker: QImage) [signal]

markerSize(self) → float
markerSizeChanged

markerSizeChanged(self, size: float) [signal]

metaObject(self) → QMetaObject
moveToThread(self, thread: QThread)
name(self) → str
nameChanged

nameChanged(self) [signal]

objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

opacity(self) → float
opacityChanged

opacityChanged(self) [signal]

parent(self) → QObject
pen(self) → QPen
penChanged

penChanged(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient]) [signal]

pointAdded

pointAdded(self, index: int) [signal]

pointConfiguration(self, index: int) → Dict[QXYSeries.PointConfiguration, Any]
pointLabelsClipping(self) → bool
pointLabelsClippingChanged

pointLabelsClippingChanged(self, clipping: bool) [signal]

pointLabelsColor(self) → QColor
pointLabelsColorChanged

pointLabelsColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

pointLabelsFont(self) → QFont
pointLabelsFontChanged

pointLabelsFontChanged(self, font: QFont) [signal]

pointLabelsFormat(self) → str
pointLabelsFormatChanged

pointLabelsFormatChanged(self, format: str) [signal]

pointLabelsVisibilityChanged

pointLabelsVisibilityChanged(self, visible: bool) [signal]

pointLabelsVisible(self) → bool
pointRemoved

pointRemoved(self, index: int) [signal]

pointReplaced

pointReplaced(self, index: int) [signal]

points(self) → List[QPointF]
pointsConfiguration(self) → Dict[int, Dict[QXYSeries.PointConfiguration, Any]]
pointsConfigurationChanged

pointsConfigurationChanged(self, configuration: Dict[int, Dict[QXYSeries.PointConfiguration, Any]]) [signal]

pointsRemoved

pointsRemoved(self, index: int, count: int) [signal]

pointsReplaced

pointsReplaced(self) [signal]

pointsVisible(self) → bool
pressed

pressed(self, point: QPointF) [signal]

property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
released

released(self, point: QPointF) [signal]

remove(self, x: float, y: float)
remove(self, point: QPointF) → None
remove(self, index: int) → None
removeEventFilter(self, a0: QObject)
removePoints(self, index: int, count: int)
replace(self, oldX: float, oldY: float, newX: float, newY: float)
replace(self, oldPoint: QPointF, newPoint: QPointF) → None
replace(self, points: Iterable[QPointF]) → None
replace(self, index: int, newX: float, newY: float) → None
replace(self, index: int, newPoint: QPointF) → None
selectAllPoints(self)
selectPoint(self, index: int)
selectPoints(self, indexes: Iterable[int])
selectedColor(self) → QColor
selectedColorChanged

selectedColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

selectedLightMarker(self) → QImage
selectedLightMarkerChanged

selectedLightMarkerChanged(self, selectedLightMarker: QImage) [signal]

selectedPoints(self) → List[int]
selectedPointsChanged

selectedPointsChanged(self) [signal]

sender(self) → QObject
senderSignalIndex(self) → int
setBestFitLineColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setBestFitLinePen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setBestFitLineVisible(self, visible: bool = True)
setBrush(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient])
setColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setLightMarker(self, lightMarker: QImage)
setMarkerSize(self, size: float)
setName(self, name: str)
setObjectName(self, name: str)
setOpacity(self, opacity: float)
setParent(self, a0: QObject)
setPen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setPointConfiguration(self, index: int, key: QXYSeries.PointConfiguration, value: Any)
setPointConfiguration(self, index: int, configuration: Dict[QXYSeries.PointConfiguration, Any]) → None
setPointLabelsClipping(self, enable: bool = True)
setPointLabelsColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setPointLabelsFont(self, font: QFont)
setPointLabelsFormat(self, format: str)
setPointLabelsVisible(self, visible: bool = True)
setPointSelected(self, index: int, selected: bool)
setPointsConfiguration(self, pointsConfiguration: Dict[int, Dict[QXYSeries.PointConfiguration, Any]])
setPointsVisible(self, visible: bool = True)
setProperty(self, name: str, value: Any) → bool
setSelectedColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setSelectedLightMarker(self, selectedLightMarker: QImage)
setUseOpenGL(self, enable: bool = True)
setVisible(self, visible: bool = True)
show(self)
signalsBlocked(self) → bool
sizeBy(self, sourceData: Iterable[float], minSize: float, maxSize: float)
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
toggleSelection(self, indexes: Iterable[int])
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
type(self) → QAbstractSeries.SeriesType
useOpenGL(self) → bool
useOpenGLChanged

useOpenGLChanged(self) [signal]

visibleChanged

visibleChanged(self) [signal]

class schrodinger.trajectory.trajectory_gui_dir.plots.SecondaryStructureHelixSeries

Bases: PyQt6.QtCharts.QAreaSeries

class SeriesType(value)

Bases: enum.Enum

An enumeration.

SeriesTypeLine = 0
SeriesTypeArea = 1
SeriesTypeBar = 2
SeriesTypeStackedBar = 3
SeriesTypePercentBar = 4
SeriesTypePie = 5
SeriesTypeScatter = 6
SeriesTypeSpline = 7
SeriesTypeHorizontalBar = 8
SeriesTypeHorizontalStackedBar = 9
SeriesTypeHorizontalPercentBar = 10
SeriesTypeBoxPlot = 11
SeriesTypeCandlestick = 12
SeriesTypeArea = 1
SeriesTypeBar = 2
SeriesTypeBoxPlot = 11
SeriesTypeCandlestick = 12
SeriesTypeHorizontalBar = 8
SeriesTypeHorizontalPercentBar = 10
SeriesTypeHorizontalStackedBar = 9
SeriesTypeLine = 0
SeriesTypePercentBar = 4
SeriesTypePie = 5
SeriesTypeScatter = 6
SeriesTypeSpline = 7
SeriesTypeStackedBar = 3
__init__(*args, **kwargs)
attachAxis(self, axis: QAbstractAxis) → bool
attachedAxes(self) → List[QAbstractAxis]
blockSignals(self, b: bool) → bool
borderColor(self) → QColor
borderColorChanged

borderColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

brush(self) → QBrush
chart(self) → QChart
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
clicked

clicked(self, point: QPointF) [signal]

color(self) → QColor
colorChanged

colorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

connectNotify(self, signal: QMetaMethod)
customEvent(self, a0: QEvent)
deleteLater(self)
destroyed

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

detachAxis(self, axis: QAbstractAxis) → bool
disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
doubleClicked

doubleClicked(self, point: QPointF) [signal]

dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
hide(self)
hovered

hovered(self, point: QPointF, state: bool) [signal]

inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isSignalConnected(self, signal: QMetaMethod) → bool
isVisible(self) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
lowerSeries(self) → QLineSeries
metaObject(self) → QMetaObject
moveToThread(self, thread: QThread)
name(self) → str
nameChanged

nameChanged(self) [signal]

objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

opacity(self) → float
opacityChanged

opacityChanged(self) [signal]

parent(self) → QObject
pen(self) → QPen
pointLabelsClipping(self) → bool
pointLabelsClippingChanged

pointLabelsClippingChanged(self, clipping: bool) [signal]

pointLabelsColor(self) → QColor
pointLabelsColorChanged

pointLabelsColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

pointLabelsFont(self) → QFont
pointLabelsFontChanged

pointLabelsFontChanged(self, font: QFont) [signal]

pointLabelsFormat(self) → str
pointLabelsFormatChanged

pointLabelsFormatChanged(self, format: str) [signal]

pointLabelsVisibilityChanged

pointLabelsVisibilityChanged(self, visible: bool) [signal]

pointLabelsVisible(self) → bool
pointsVisible(self) → bool
pressed

pressed(self, point: QPointF) [signal]

property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
released

released(self, point: QPointF) [signal]

removeEventFilter(self, a0: QObject)
selected

selected(self) [signal]

sender(self) → QObject
senderSignalIndex(self) → int
setBorderColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setBrush(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient])
setColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setLowerSeries(self, series: QLineSeries)
setName(self, name: str)
setObjectName(self, name: str)
setOpacity(self, opacity: float)
setParent(self, a0: QObject)
setPen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setPointLabelsClipping(self, enable: bool = True)
setPointLabelsColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setPointLabelsFont(self, font: QFont)
setPointLabelsFormat(self, format: str)
setPointLabelsVisible(self, visible: bool = True)
setPointsVisible(self, visible: bool = True)
setProperty(self, name: str, value: Any) → bool
setUpperSeries(self, series: QLineSeries)
setUseOpenGL(self, enable: bool = True)
setVisible(self, visible: bool = True)
show(self)
signalsBlocked(self) → bool
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
type(self) → QAbstractSeries.SeriesType
upperSeries(self) → QLineSeries
useOpenGL(self) → bool
useOpenGLChanged

useOpenGLChanged(self) [signal]

visibleChanged

visibleChanged(self) [signal]

class schrodinger.trajectory.trajectory_gui_dir.plots.SecondaryStructureStrandSeries

Bases: PyQt6.QtCharts.QAreaSeries

class SeriesType(value)

Bases: enum.Enum

An enumeration.

SeriesTypeLine = 0
SeriesTypeArea = 1
SeriesTypeBar = 2
SeriesTypeStackedBar = 3
SeriesTypePercentBar = 4
SeriesTypePie = 5
SeriesTypeScatter = 6
SeriesTypeSpline = 7
SeriesTypeHorizontalBar = 8
SeriesTypeHorizontalStackedBar = 9
SeriesTypeHorizontalPercentBar = 10
SeriesTypeBoxPlot = 11
SeriesTypeCandlestick = 12
SeriesTypeArea = 1
SeriesTypeBar = 2
SeriesTypeBoxPlot = 11
SeriesTypeCandlestick = 12
SeriesTypeHorizontalBar = 8
SeriesTypeHorizontalPercentBar = 10
SeriesTypeHorizontalStackedBar = 9
SeriesTypeLine = 0
SeriesTypePercentBar = 4
SeriesTypePie = 5
SeriesTypeScatter = 6
SeriesTypeSpline = 7
SeriesTypeStackedBar = 3
__init__(*args, **kwargs)
attachAxis(self, axis: QAbstractAxis) → bool
attachedAxes(self) → List[QAbstractAxis]
blockSignals(self, b: bool) → bool
borderColor(self) → QColor
borderColorChanged

borderColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

brush(self) → QBrush
chart(self) → QChart
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
clicked

clicked(self, point: QPointF) [signal]

color(self) → QColor
colorChanged

colorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

connectNotify(self, signal: QMetaMethod)
customEvent(self, a0: QEvent)
deleteLater(self)
destroyed

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

detachAxis(self, axis: QAbstractAxis) → bool
disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
doubleClicked

doubleClicked(self, point: QPointF) [signal]

dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
hide(self)
hovered

hovered(self, point: QPointF, state: bool) [signal]

inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isSignalConnected(self, signal: QMetaMethod) → bool
isVisible(self) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
lowerSeries(self) → QLineSeries
metaObject(self) → QMetaObject
moveToThread(self, thread: QThread)
name(self) → str
nameChanged

nameChanged(self) [signal]

objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

opacity(self) → float
opacityChanged

opacityChanged(self) [signal]

parent(self) → QObject
pen(self) → QPen
pointLabelsClipping(self) → bool
pointLabelsClippingChanged

pointLabelsClippingChanged(self, clipping: bool) [signal]

pointLabelsColor(self) → QColor
pointLabelsColorChanged

pointLabelsColorChanged(self, color: Union[QColor, Qt.GlobalColor, int, QGradient]) [signal]

pointLabelsFont(self) → QFont
pointLabelsFontChanged

pointLabelsFontChanged(self, font: QFont) [signal]

pointLabelsFormat(self) → str
pointLabelsFormatChanged

pointLabelsFormatChanged(self, format: str) [signal]

pointLabelsVisibilityChanged

pointLabelsVisibilityChanged(self, visible: bool) [signal]

pointLabelsVisible(self) → bool
pointsVisible(self) → bool
pressed

pressed(self, point: QPointF) [signal]

property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
released

released(self, point: QPointF) [signal]

removeEventFilter(self, a0: QObject)
selected

selected(self) [signal]

sender(self) → QObject
senderSignalIndex(self) → int
setBorderColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setBrush(self, brush: Union[QBrush, QColor, Qt.GlobalColor, int, QGradient])
setColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setLowerSeries(self, series: QLineSeries)
setName(self, name: str)
setObjectName(self, name: str)
setOpacity(self, opacity: float)
setParent(self, a0: QObject)
setPen(self, pen: Union[QPen, QColor, Qt.GlobalColor, int, QGradient])
setPointLabelsClipping(self, enable: bool = True)
setPointLabelsColor(self, color: Union[QColor, Qt.GlobalColor, int, QGradient])
setPointLabelsFont(self, font: QFont)
setPointLabelsFormat(self, format: str)
setPointLabelsVisible(self, visible: bool = True)
setPointsVisible(self, visible: bool = True)
setProperty(self, name: str, value: Any) → bool
setUpperSeries(self, series: QLineSeries)
setUseOpenGL(self, enable: bool = True)
setVisible(self, visible: bool = True)
show(self)
signalsBlocked(self) → bool
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
type(self) → QAbstractSeries.SeriesType
upperSeries(self) → QLineSeries
useOpenGL(self) → bool
useOpenGLChanged

useOpenGLChanged(self) [signal]

visibleChanged

visibleChanged(self) [signal]

class schrodinger.trajectory.trajectory_gui_dir.plots.EnergyPlotPanel(plot_view, parent=None)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.BaseAdvancedPlotPanel

Plot for energy analysis.

ui_module = <module 'schrodinger.trajectory.trajectory_gui_dir.energy_plot_ui' from '/scr/buildbot/savedbuilds/2023-4/NB/build-133/internal/lib/python3.8/site-packages/schrodinger/trajectory/trajectory_gui_dir/energy_plot_ui.py'>
model_class

alias of schrodinger.trajectory.trajectory_gui_dir.traj_plot_models.EnergyPlotModel

SHORTCUT_PREFIX = 'Energy'
__init__(plot_view, parent=None)
initSetUp()

Creates widget from ui and stores it ui_widget.

Suggested subclass use: create and initialize subwidgets, and connect signals.

initFinalize()

Suggested subclass use: perform any remaining initialization.

defineMappings()

Override this in the subclass to define mappings. Should return a list of tuples [(<target>, <param>)]. Targets can be:

  1. a basic widget, like QLineEdit or QComboBox

  2. a custom object that inherits MapperMixin or TargetMixin

  3. a TargetSpec instance

  4. a slot

For common widgets, standard signals and getter/setter methods will be used, as defined in mappers._get_default_access_names().

For more fine-grained custom control, instantiate a TargetSpec object, which allows custom setters, getters, and signals to be specified.

Supplying a slot as the first element of the tuple is equivalent to providing TargetSpec(slot=my_slot).

Note that all target slots are triggered on setModel() as well as in response to the specified signal.

The param is an abstract param reference, e.g. MyModel.my_param.

Example:

def defineMappings(self):
    combo = self.style_combo
    return [(self.name_le, MyModel.name),
            (TargetSpec(combo,
                    getter=combo.currentText,
                    setter=combo.setCurrentText), MyModel.style),
            (self.coord_widget, MyModel.coord),
            (self._onASLTextChanged, MyModel.asl_text)]
getSignalsAndSlots(model)

Override this method to specify signal and slot pairs that need to be connected/disconnected whenever the model instance is switched using setModel. The model instance is provided as an argument so that instance-specific signals can be used, but any pairs of signals and slots may be returned from this method.

Returns

a list of 2-tuples where each tuple is a signal, slot pair

updatePlotValues()

Slot for updating the chart based on current UI selection.

getEnergyValues()

Return the energy values based on the current panel settings. :return:

APPLY_LEGACY_STYLESHEET = True
APPLY_PANELX_STYLESHEET = False
class BtnPos(value)

Bases: enum.IntEnum

An enumeration.

Left = 0
Middle = 1
Right = 2
DrawChildren = 2
DrawWindowBackground = 1
IgnoreMask = 4
PRESETS_FEATURE_FLAG = False
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
class RenderFlag(value)

Bases: enum.Flag

An enumeration.

DrawWindowBackground = 1
DrawChildren = 2
IgnoreMask = 4
SHOW_AS_WINDOW = True
class StdBtn(value)

Bases: enum.IntEnum

An enumeration.

Ok = 0
Cancel = 1
Reset = 2
Help = 3
acceptDrops(self) → bool
property accepted
accessibleDescription(self) → str
accessibleName(self) → str
actionEvent(self, a0: QActionEvent)
actions(self) → List[QAction]
activateWindow(self)
addAction(self, action: QAction)
addActions(self, actions: Iterable[QAction])
adjustSize(self)
autoFillBackground(self) → bool
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, b: bool) → bool
changeEvent(self, a0: QEvent)
childAt(self, p: QPoint) → QWidget
childAt(self, ax: int, ay: int) → QWidget
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
childrenRect(self) → QRect
childrenRegion(self) → QRegion
clearFocus(self)
clearMask(self)
close(self) → bool
closeEvent(event)

Ensures proper handling of OK, Cancel, and [X] button clicks

colorCount(self) → int
connectNotify(self, signal: QMetaMethod)
contentsMargins(self) → QMargins
contentsRect(self) → QRect
contextMenuEvent(self, a0: QContextMenuEvent)
contextMenuPolicy(self) → Qt.ContextMenuPolicy
create(self, window: PyQt6.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(window: QWindow, parent: typing.Optional[QWidget] = None, flags: Qt.WindowType = Qt.WindowFlags()) → QWidget
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, pos: QPoint) [signal]

customEvent(self, a0: QEvent)
debug()
deleteLater(self)
depth(self) → int
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)
destroyed

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

devType(self) → int
devicePixelRatio(self) → float
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
dragEnterEvent(self, a0: QDragEnterEvent)
dragLeaveEvent(self, a0: QDragLeaveEvent)
dragMoveEvent(self, a0: QDragMoveEvent)
dropEvent(self, a0: QDropEvent)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
effectiveWinId(self) → PyQt6.sip.voidptr
ensurePolished(self)
enterEvent(self, event: QEnterEvent)
error(*args, **kwargs)

Shows a popup error message box. For parameter documentation see messagebox.MessageBox.

event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
find(a0: PyQt6.sip.voidptr) → QWidget
findChild(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChild(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → QObject
findChildren(self, type: type, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, name: str = '', options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type: type, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, types: Tuple, re: QRegularExpression, options: Qt.FindChildOption = Qt.FindChildrenRecursively) → List[QObject]
focusInEvent(self, a0: QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, next: bool) → bool
focusOutEvent(self, a0: 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
forgetMessageBoxResponse(key)

Forgets any previously saved response that was stored via a save_response_key.

Parameters

key – the key for the response to forget

frameGeometry(self) → QRect
frameSize(self) → QSize
geometry(self) → QRect
getModel()
classmethod getPanelInstance(create=True)

Return the singleton instance of this panel, creating one if necessary.

Parameters

create (bool) – Whether to create an instance of the panel if none exists

Returns

instance of this panel.

Return type

PanelMixin

grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(- 1, - 1))) → QPixmap
grabGesture(self, type: Qt.GestureType, flags: Qt.GestureFlag = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)
grabMouse(self, a0: Union[QCursor, Qt.CursorShape]) → None
grabShortcut(self, key: Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int
graphicsEffect(self) → QGraphicsEffect
graphicsProxyWidget(self) → QGraphicsProxyWidget
hasFocus(self) → bool
hasHeightForWidth(self) → bool
hasMouseTracking(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, a0: int) → int
heightMM(self) → int
hide(self)
hideEvent(self, a0: QHideEvent)
info(*args, **kwargs)

Shows a popup information message box. For parameter documentation see messagebox.MessageBox.

inherits(self, classname: str) → bool
initLayOut()

@overrides: widgetmixins.InitMixin

initPainter(self, painter: QPainter)
initSetDefaults()

@overrides: widgetmixins.InitMixin

initSetOptions()

Suggested subclass use: set instance variables, excluding layouts and subwidgets. Also use here to (optionally) apply the legacy stylesheet spacing settings (PANEL-19101).

inputMethodEvent(self, a0: QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHint
inputMethodQuery(self, a0: Qt.InputMethodQuery) → Any
insertAction(self, before: QAction, action: QAction)
insertActions(self, before: QAction, actions: Iterable[QAction])
installEventFilter(self, a0: QObject)
isActiveWindow(self) → bool
isAncestorOf(self, child: QWidget) → bool
isEnabled(self) → bool
isEnabledTo(self, a0: 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, signal: QMetaMethod) → bool
isVisible(self) → bool
isVisibleTo(self, a0: QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
keyPressEvent(self, a0: QKeyEvent)
keyReleaseEvent(self, a0: QKeyEvent)
keyboardGrabber() → QWidget
killTimer(self, id: int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, a0: QEvent)
locale(self) → QLocale
logicalDpiX(self) → int
logicalDpiY(self) → int
lower(self)
makeInitialModel()
mapFrom(self, a0: QWidget, a1: QPoint) → QPoint
mapFrom(self, a0: QWidget, a1: QPointF) → QPointF
mapFromGlobal(self, a0: QPoint) → QPoint
mapFromGlobal(self, a0: QPointF) → QPointF
mapFromParent(self, a0: QPoint) → QPoint
mapFromParent(self, a0: QPointF) → QPointF
mapTo(self, a0: QWidget, a1: QPoint) → QPoint
mapTo(self, a0: QWidget, a1: QPointF) → QPointF
mapToGlobal(self, a0: QPoint) → QPoint
mapToGlobal(self, a0: QPointF) → QPointF
mapToParent(self, a0: QPoint) → QPoint
mapToParent(self, a0: QPointF) → QPointF
mappedParams()

Return a list of the abstract params that are mapped to.

mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, a0: QPaintDevice.PaintDeviceMetric) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
property model
mouseDoubleClickEvent(self, a0: QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, a0: QMouseEvent)
mousePressEvent(self, a0: QMouseEvent)
mouseReleaseEvent(self, a0: QMouseEvent)
move(self, a0: QPoint)
move(self, ax: int, ay: int) → None
moveEvent(self, a0: QMoveEvent)
moveToThread(self, thread: QThread)
nativeEvent(self, eventType: QByteArray, message: PyQt6.sip.voidptr) → Tuple[bool, PyQt6.sip.voidptr]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

overrideWindowFlags(self, type: Qt.WindowType)
overrideWindowState(self, state: Qt.WindowState)
paintEngine(self) → QPaintEngine
paintEvent(self, a0: QPaintEvent)
paintingActive(self) → bool
palette(self) → QPalette
classmethod panel(blocking=False, modal=False, finished_callback=None)

Open an instance of this class.

For full argument documentation, see ExecutionMixin.run.

parent(self) → QObject
parentWidget(self) → QWidget
physicalDpiX(self) → int
physicalDpiY(self) → int
pos(self) → QPoint
previousInFocusChain(self) → QWidget
property(self, name: str) → Any
pyqtConfigure(...)

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

question(*args, **kwargs)

Shows a popup question message box. For parameter documentation see messagebox.QuestionMessageBox.

raise_(self)
receivers(self, signal: PYQT_SIGNAL) → int
rect(self) → QRect
releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, id: int)
removeAction(self, action: QAction)
removeEventFilter(self, a0: QObject)
render(self, target: QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren))
render(self, painter: QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: QWidget.RenderFlag = QWidget.RenderFlags(QWidget.DrawWindowBackground | QWidget.DrawChildren)) → None
repaint(self)
repaint(self, x: int, y: int, w: int, h: int) → None
repaint(self, a0: QRect) → None
repaint(self, a0: QRegion) → None
reportValidation(results)

Present validation messages to the user. This is an implmentation of the ValidationMixin interface and does not need to be called directly.

This method assumes that error and question methods have been defined in the subclass, as in e.g. widget_mixins.MessageBoxMixin.

Parameters

results (validation.ValidationResults) – Set of validation results generated by validate

Returns

if True, there were no validation errors and the user decided to continue despite any warnings. If False, there was at least one validation error or the user decided to abort when faced with a warning.

resetMappedParams()
resize(self, a0: QSize)
resize(self, w: int, h: int) → None
resizeEvent(self, a0: QResizeEvent)
restoreGeometry(self, geometry: QByteArray) → bool
run(blocking=False, modal=False, finished_callback=None)

Show this widget, while optionally blocking, making the widget window modal, and registering a callback for when the widget is closed again.

Parameters

  • blocking (bool) – if True, block progress in the calling method until the widget is closed again.

  • modal (bool) – if True, open this widget as window modal. Otherwise, open this widget as nonmodal.

  • finished_callback (a callable object) – an object that will be called with no arguments when this widget is closed.

runAllSlots()
runValidation(silent=False, validate_children=True, stop_on_fail=True)

Runs validation and reports the results (unless run silently).

Parameters

  • silent (bool) – run without any reporting (i.e. error messages to the user). This is useful if we want to programmatically test validity. Changes return value of this method from ValidationResults to a boolean.

  • validate_children (bool) – run validation on all child objects. See _validateChildren for documentation on what this entails.

  • stop_on_fail (bool) – stop validation when first failure is encountered

Returns

if silent is False, returns the validation results. If silent is True, returns a boolean generated by reportValidation.

Return type

ValidationResults or bool

saveGeometry(self) → QByteArray
screen(self) → QScreen
scroll(self, dx: int, dy: int)
scroll(self, dx: int, dy: int, a2: QRect) → None
sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, on: bool)
setAccessibleDescription(self, description: str)
setAccessibleName(self, name: str)
setAttribute(self, attribute: Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, enabled: bool)
setBackgroundRole(self, a0: QPalette.ColorRole)
setBaseSize(self, basew: int, baseh: int)
setBaseSize(self, s: QSize) → None
setContentsMargins(self, left: int, top: int, right: int, bottom: int)
setContentsMargins(self, margins: QMargins) → None
setContextMenuPolicy(self, policy: Qt.ContextMenuPolicy)
setCursor(self, a0: Union[QCursor, Qt.CursorShape])
setDefaults()

@overrides: af2.App

setDisabled(self, a0: bool)
setEnabled(self, a0: bool)
setFixedHeight(self, h: int)
setFixedSize(self, a0: QSize)
setFixedSize(self, w: int, h: int) → None
setFixedWidth(self, w: int)
setFocus(self)
setFocus(self, reason: Qt.FocusReason) → None
setFocusPolicy(self, policy: Qt.FocusPolicy)
setFocusProxy(self, a0: QWidget)
setFont(self, a0: QFont)
setForegroundRole(self, a0: QPalette.ColorRole)
setGeometry(self, a0: QRect)
setGeometry(self, ax: int, ay: int, aw: int, ah: int) → None
setGraphicsEffect(self, effect: QGraphicsEffect)
setHidden(self, hidden: bool)
setInputMethodHints(self, hints: Qt.InputMethodHint)
setLayout(self, a0: QLayout)
setLayoutDirection(self, direction: Qt.LayoutDirection)
setLocale(self, locale: QLocale)
setMask(self, a0: QBitmap)
setMask(self, a0: QRegion) → None
setMaximumHeight(self, maxh: int)
setMaximumSize(self, maxw: int, maxh: int)
setMaximumSize(self, s: QSize) → None
setMaximumWidth(self, maxw: int)
setMinimumHeight(self, minh: int)
setMinimumSize(self, minw: int, minh: int)
setMinimumSize(self, s: QSize) → None
setMinimumWidth(self, minw: int)
setModel(model)

Sets the model object for the mapper. Disconnects the old model, if one is set, and connects the new model. Pass in None to have no model set.

Parameters

model – the model instance or None

setModelWithoutSlots(model)

This is called when this MapperMixin is a sub-widget of a parent MapperMixin. Since the slots will all be called at the end of the parent setModel, they shouldn’t be called during the sub-widget’s setModel.

setMouseTracking(self, enable: bool)
setObjectName(self, name: str)
setPalette(self, a0: QPalette)
setParent(self, parent: QWidget)
setParent(self, parent: QWidget, f: Qt.WindowType) → None
setProperty(self, name: str, value: Any) → bool
setScreen(self, a0: QScreen)
setShortcutAutoRepeat(self, id: int, enabled: bool = True)
setShortcutEnabled(self, id: int, enabled: bool = True)
setSizeIncrement(self, w: int, h: int)
setSizeIncrement(self, s: QSize) → None
setSizePolicy(self, a0: QSizePolicy)
setSizePolicy(self, hor: QSizePolicy.Policy, ver: QSizePolicy.Policy) → None
setStatusTip(self, a0: str)
setStyle(self, a0: QStyle)
setStyleSheet(self, styleSheet: str)
setTabOrder(a0: QWidget, a1: QWidget)
setTabletTracking(self, enable: bool)
setToolTip(self, a0: str)
setToolTipDuration(self, msec: int)
setUpdatesEnabled(self, enable: bool)
setVisible(self, visible: bool)
setWhatsThis(self, a0: str)
setWidgetLayout()

Set the widget layout

setWindowFilePath(self, filePath: str)
setWindowFlag(self, a0: Qt.WindowType, on: bool = True)
setWindowFlags(self, type: Qt.WindowType)
setWindowFlagsForRun()
setWindowIcon(self, icon: QIcon)
setWindowIconText(self, a0: str)
setWindowModality(self, windowModality: Qt.WindowModality)
setWindowModified(self, a0: bool)
setWindowOpacity(self, level: float)
setWindowRole(self, a0: str)
setWindowState(self, state: Qt.WindowState)
setWindowTitle(self, a0: str)
setting_model()
sharedPainter(self) → QPainter
show()

Override the show method to clear and previous value of self.accepted

showEvent(self, a0: QShowEvent)
showFullScreen(self)
showMaximized(self)
showMessageBox(*args, **kwargs)

Shows a popup message box. For parameter documentation see messagebox.MessageBox.

showMinimized(self)
showNormal(self)
signalsBlocked(self) → bool
size(self) → QSize
sizeHint(self) → QSize
sizeIncrement(self) → QSize
sizePolicy(self) → QSizePolicy
stackUnder(self, a0: QWidget)
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
statusTip(self) → str
style(self) → QStyle
styleSheet(self) → str
tabletEvent(self, a0: QTabletEvent)
testAttribute(self, attribute: Qt.WidgetAttribute) → bool
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
underMouse(self) → bool
ungrabGesture(self, type: Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)
update(self, a0: QRect) → None
update(self, a0: QRegion) → None
update(self, ax: int, ay: int, aw: int, ah: int) → None
updateGeometry(self)
updateMicroFocus(self, query: Qt.InputMethodQuery = Qt.ImQueryAll)
updatesEnabled(self) → bool
visibleRegion(self) → QRegion
warning(*args, **kwargs)

Shows a popup warning message box. For parameter documentation see messagebox.MessageBox.

whatsThis(self) → str
wheelEvent(self, a0: QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → PyQt6.sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowType
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, icon: QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, iconText: str) [signal]

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

windowTitleChanged(self, title: str) [signal]

windowType(self) → Qt.WindowType
x(self) → int
y(self) → int
class schrodinger.trajectory.trajectory_gui_dir.plots.EnergyPlotManager(panel, cfg_file, sets)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.AbstractAdvancedQtPlotManager

Chart class for energy matrix data. The plot data will be populated by the EnergyPlotPanel.

PANEL_CLASS

alias of schrodinger.trajectory.trajectory_gui_dir.plots.EnergyPlotPanel

__init__(panel, cfg_file, sets)

Initialize the energy plot.

Parameters

  • panel (QtWidgets.QWidget.) – Parent panel

  • cfg_file (str) – Path to the cfg file.

  • sets (dict) – Dict of sets where keys are set names and values are ASLs.

configureTask(task, cfg_file, sets)

Configure the energy task.

Parameters
getPlotType()

Returns what type of plot this class uses; used for grouping export data.

enableSeriesTracking()
loadFromTask(task)

Load in results from the given task.

Parameters

task (traj_plot_models.TrajectoryEnergyJobTask) – Task to get result data from.

setPlotData(energies)

Set self.energies array to the given data, and re-draw the chart.

getDataForExport()

Return a list of row data to export to Excel or CSV. Used by the export menu in the plot sub-window.

getExportData()

Return a list of row data to export to Excel. Used by the “Export Results…” button of the parent plots panels.

Returns

Data to be exported

Return type

list(list)

getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

getSettingsHash()
blockSignals(self, b: bool) → bool
chart()
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
connectNotify(self, signal: QMetaMethod)
createAndDisplayMeasurement
createCollapsiblePlotWidget()
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

createShortcutWidget(plot_panel)

Create and store reference to a shortcut widget for a given Advanced Plot

Parameters

plot_panel (BaseAdvancedPlotPanel) – Plot panel that shortcut will launch

Returns

Shortcut for the Advanced Plot

Return type

AdvancedPlotShortcut

customEvent(self, a0: QEvent)
deleteLater(self)
deletePlot
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
displayAsl
displayFrameAndAsl
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

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

Formats axes tick numbers and spacing depending on result data.

generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getPlotTitle()
inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isRunning()

Return True if the plot is still generating data.

isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
metaObject(self) → QMetaObject
moveToThread(self, thread: QThread)
newDataAvailable
objectName(self) → str
objectNameChanged

objectNameChanged(self, objectName: str) [signal]

onPlotClicked(value)
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
saveImage()

Save a .png file of the plot

sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setupView(fixed_height=250, multi_series=False)
showContextMenu(parent=None)
showWarning
signalsBlocked(self) → bool
start()
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
class schrodinger.trajectory.trajectory_gui_dir.plots.PlanarAngleAnalysisPlot(panel, alist)

Bases: schrodinger.trajectory.trajectory_gui_dir.plots.TrajectoryAnalysisPlotManager

__init__(panel, alist)
configureTask(task, alist)

Configure the specified task by assigning it the analysis mode, and assigning inputs based on the currently selected trajectory. Task’s taskDone signal is connected to self._onTaskEnded().

getInitialPlotTitleAndTooltip()

Return the plot title and tooltip for this plot.

Returns

Plot title, Plot tooltip.

Return type

(str, str or None)

getSettingsHash()
PANEL_CLASS = None
blockSignals(self, b: bool) → bool
chart()
childEvent(self, a0: QChildEvent)
children(self) → List[QObject]
connectNotify(self, signal: QMetaMethod)
createAndDisplayMeasurement
createCollapsiblePlotWidget()
createPanel()

For advanced plots, creates an instance of a plot panel and returns it. For simple (panel-less) plots, returns None.

customEvent(self, a0: QEvent)
deleteLater(self)
deletePlot
destroyed

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

disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
displayAsl
displayFrameAndAsl
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exportToCSV(parent=None)

Export plot data to a CSV file

exportToExcel(parent=None)

Export data to an .xls file

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

Formats axes tick numbers and spacing depending on result data.

generateASL(aids)

Generates an ASL string selecting given atom IDs.

Parameters

aids (Union[int, list(int)]) – Single atom id OR list of atom ids

Returns

ASL which selects given atoms.

Return type

str

generateSettingsHash(settings_list)

Return a tuple that uniquely identifies this plot.

Parameters

settings_list (list) – List of settings that can uniquely identify the plot. In addition to these, the plot class name and trajectory path will be added.

Returns

Unique identifier for the plot.

Return type

tuple

getDataForExport()

Return a list of row data to export to CSV or Excel.

Returns

Data to be exported

Return type

list(list)

getExportData()

Most panels export the same data whether export was selected from the plot panel or the main panel. Override this method to export different type of data when exporting from the parent panel, via the “Export Results…” button.

getPlotTitle()
getPlotType()

Returns what type of plot this class uses; used for grouping export data. For TRAJECTORY grouping, each plot’s data is added as a column in the same Excel sheet.

inherits(self, classname: str) → bool
installEventFilter(self, a0: QObject)
isRunning()

Return True if the plot is still generating data.

isSignalConnected(self, signal: QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, id: int)
loadFromTask(task)

Load in results from the given task.

Parameters

task (tasks.AbstractTask) – Task to get result data from.

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

objectNameChanged(self, objectName: str) [signal]

onPlotClicked(value)
parent(self) → QObject
property(self, name: str) → Any
pyqtConfigure(...)

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

receivers(self, signal: PYQT_SIGNAL) → int
removeEventFilter(self, a0: QObject)
saveImage()

Save a .png file of the plot

sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, name: str)
setParent(self, a0: QObject)
setProperty(self, name: str, value: Any) → bool
setupView(fixed_height=250, multi_series=False)
showContextMenu(parent=None)
showWarning
signalsBlocked(self) → bool
start()
startTimer(self, interval: int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt6.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, a0: QTimerEvent)
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str