schrodinger.trajectory.trajectory_gui_dir.playertoolbar module

Trajectory viewer player toolbar.

Copyright Schrodinger, LLC. All rights reserved.

schrodinger.trajectory.trajectory_gui_dir.playertoolbar.hide_show_ld_states(frame_ct: schrodinger.structure._structure.Structure, site_atoms_by_state: list, site_state_index: int)

This function shows or hides specified atoms in site_atoms_by_state

Parameters

  • frame_ct – Frame structure to be updated. This function modifies the structure state (changes visibility atoms)

  • site_atoms_by_state – a list of a list of atom indices

  • site_state_index – index of state to show

schrodinger.trajectory.trajectory_gui_dir.playertoolbar.add_item(menu, text, callback, enabler_signal=None, initial_state=True)

Add an item with given text to the given QMenu.

Parameters

  • menu (QMenu) – Menu to add a new action to.

  • text (str) – Text for the menu item

  • callback (callable) – Callback to connect to the triggered signal.

  • enabler_signal (QtCore.pyqtSignal) – If specified, the menu item will be enabled or disabled when the signal is emitted.

  • initial_state (bool or None) – If enabler_signal is specified, this is the default enabled state of the widget.

schrodinger.trajectory.trajectory_gui_dir.playertoolbar.get_mmct_id_map_from_dict(atom_id_map_dict: dict)
Parameters

atom_id_map_dict – A dictionary of old to new atom renumbering dictionary (Keys are atom number before deleting and value for each is the new atom number or None if that atom was deleted.

Returns

Return id map object if there is a valid dict, otherwise -1.

Return type

MM_ID_Map

Note: Caller must delete it explicitly using mmct_id_map_delete() method.

schrodinger.trajectory.trajectory_gui_dir.playertoolbar.unroll_pos(ct, rep_vec, xyz0, start_atom)

Set coordinates for all copies of the replicated CT.

schrodinger.trajectory.trajectory_gui_dir.playertoolbar.set_structure_atoms_entry_id(st: schrodinger.structure._structure.Structure, eid: int, start_atom: int, end_atom: int)

Update entry id of specified range of atoms in the structure.

Parameters

  • st – Structure in which atoms needs to be updated.

  • eid – Entry id to be set.

  • start_atom – Starting atom in the structure to be updated. This atom is also included when updating entry id.

  • end_atom – Ending atom in the structure to be updated. This atom is also included when updating entry id.

schrodinger.trajectory.trajectory_gui_dir.playertoolbar.get_workspace_structure_and_entry_total()
Returns

Return a tuple of workspace ct and entry total in the workspace structure.

Return type

tuple(structure.Structure, int)

schrodinger.trajectory.trajectory_gui_dir.playertoolbar.is_replica_atom_count(main_ct_atom_total: int, frame_ct_atom_total: int)

Whether the main_ct atom count is a result of number of atoms obtained by replicating frame_ct.

Parameters

  • main_ct_atom_total – Main CT atom count to verify

  • frame_ct_atom_total – Frame ct atom count to be used for reference.

Return type

bool

Returns

Whether the main ct atom count is a perfect replication of frame ct atom count.

schrodinger.trajectory.trajectory_gui_dir.playertoolbar.set_distance_cell_props(proj: schrodinger.project.project.Project, eid: int, box_values: schrodinger.infra._projectmodel.TriclinicBox)

Set distance cell properties value in the project for the given entry id. box_values represents ax, ay, az, bx, by, bz, cx, cy, cz respectively.

Return type

bool

Returns

True if values are set appropriately.

schrodinger.trajectory.trajectory_gui_dir.playertoolbar.get_distance_cell_props(proj: schrodinger.project.project.Project, eid: int)

Get distance cell properties value from the project for the given entry id.

Return type

list

Returns

schrodinger.infra.projectmodel.TriclinicBox on success.

class schrodinger.trajectory.trajectory_gui_dir.playertoolbar.ReferenceEntryStatistics(workspace_st: schrodinger.structure._structure.Structure, frame_st_entry_id: int, frame_st_atom_total: int, frame_st_replica_count: int)

Bases: object

A helper data class. It holds starting position of reference entry atom in the workspace structure, reference entry atom total, and entry id.

__init__(workspace_st: schrodinger.structure._structure.Structure, frame_st_entry_id: int, frame_st_atom_total: int, frame_st_replica_count: int)
Parameters

  • workspace_st – Workspace structure. Expected exactly two entries in the workspace.

  • frame_st_entry_id – Frame structure associated entry id.

  • frame_st_atom_total – Atom total of the frame present in the workspace structure.

  • frame_st_replica_count – Number of replica of frame structure in the workspace strucuture.

property reference_entry_included_first
Returns

True if reference entry is included first in the workspace.

Return type

bool

schrodinger.trajectory.trajectory_gui_dir.playertoolbar.compare_structures_connectivity(st1: schrodinger.structure._structure.Structure, st2: schrodinger.structure._structure.Structure)

Whether given structures have same connectivity between atoms. E.g. If at.n 1-2 is connected in st1, then same set of atoms must be connected in the st2 also.

Parameters

  • st1 – Structure1 to compare

  • st2 – Structure2 to compare

Return type

bool

Returns

Whether both structures have same connectivity.

schrodinger.trajectory.trajectory_gui_dir.playertoolbar.get_entry_row_property_value(row: schrodinger.project.project.ProjectRow, prop_name: str)

Get project row’s property value.

schrodinger.trajectory.trajectory_gui_dir.playertoolbar.get_entry_row(proj: schrodinger.project.project.Project, eid: int)

Get project entry row.

schrodinger.trajectory.trajectory_gui_dir.playertoolbar.get_entry_ct(proj: schrodinger.project.project.Project, eid: int, props: bool, copy: bool)

Provide entry structure corresponding to given entry id in the project.

Parameters

  • proj – The current project.

  • eid – Entry id associated with current project.

  • props – True if properties should also be copied.

  • copy – True if new copy of entry structure is returned.

Returns

Entry structure stored in the project.

Return type

structure.Structure or None

schrodinger.trajectory.trajectory_gui_dir.playertoolbar.set_entry_ct(proj: schrodinger.project.project.Project, st: schrodinger.structure._structure.Structure, eid: int, props: bool, sync_workspace: bool, copy: bool)

Set entry structure corresponding to given entry id in the project.

Parameters

  • proj – The current project.

  • st – Entry structure to be set.

  • eid – Entry id associated with current project.

  • props – True if properties should also be copied.

  • sync_workspace – Synchronize workspace as well.

  • copy – True if new copy of entry structure is returned.

Return type

bool

Returns

Whether the structure is set successfully in the project entry ct.

class schrodinger.trajectory.trajectory_gui_dir.playertoolbar.MovieInterruptionType(value)

Bases: enum.Enum

Type defining a save movie interruption type.

PAUSED = (0,)
CLOSED = 1
class schrodinger.trajectory.trajectory_gui_dir.playertoolbar.MovieInterruptionDialogRetCode(value)

Bases: enum.Enum

Type defining a return code from save movie interruption warning dialog.

PARTIAL_SAVE = (0,)
RESUME = (1,)
CANCEL = 2
class schrodinger.trajectory.trajectory_gui_dir.playertoolbar.MovieExportInterruptionDialog(parent, interruption_type)

Bases: schrodinger.ui.qt.messagebox.MessageBox

A dialog that displays a warning when movie export operation is interrupted.

__init__(parent, interruption_type)
Parameters

  • parent (QtWidgets.QWidget) – Parent widget of this dialog.

  • interruption_type (enum(MovieInterruptionType)) – Interruption source button.

exec()

Show the warning dialog.

Return type

enum(MovieInterruptionDialogRetCode)

Returns

Return one of the enum value defined by MovieInterruptionDialogRetCode.

Abort = 262144
AcceptRole = 0
Accepted = 1
ActionRole = 3
Apply = 33554432
ApplyRole = 8
ButtonMask = 4294966527
class ButtonRole(value)

Bases: enum.Enum

An enumeration.

InvalidRole = -1
AcceptRole = 0
RejectRole = 1
DestructiveRole = 2
ActionRole = 3
HelpRole = 4
YesRole = 5
NoRole = 6
ResetRole = 7
ApplyRole = 8
Cancel = 4194304
Close = 2097152
Critical = 3
Default = 256
DestructiveRole = 2
class DialogCode(value)

Bases: enum.IntEnum

An enumeration.

Rejected = 0
Accepted = 1
Discard = 8388608
DrawChildren = 2
DrawWindowBackground = 1
Escape = 512
FirstButton = 1024
FlagMask = 768
Help = 16777216
HelpRole = 4
class Icon(value)

Bases: enum.Enum

An enumeration.

NoIcon = 0
Information = 1
Warning = 2
Critical = 3
Question = 4
Ignore = 1048576
IgnoreMask = 4
Information = 1
InvalidRole = -1
LastButton = 134217728
No = 65536
NoAll = 131072
NoButton = 0
NoIcon = 0
NoRole = 6
NoToAll = 131072
Ok = 1024
Open = 8192
class PaintDeviceMetric(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
Question = 4
RejectRole = 1
Rejected = 0
class RenderFlag(value)

Bases: enum.Flag

An enumeration.

DrawWindowBackground = 1
DrawChildren = 2
IgnoreMask = 4
Reset = 67108864
ResetRole = 7
RestoreDefaults = 134217728
Retry = 524288
STRINGED_RESPONSES = {True: 'TRUE_RESPONSE', False: 'FALSE_RESPONSE', None: 'NONE_RESPONSE'}
Save = 2048
SaveAll = 4096
class StandardButton(value)

Bases: enum.IntFlag

An enumeration.

NoButton = 0
Ok = 1024
Save = 2048
SaveAll = 4096
Open = 8192
Yes = 16384
YesToAll = 32768
No = 65536
NoToAll = 131072
Abort = 262144
Retry = 524288
Ignore = 1048576
Close = 2097152
Cancel = 4194304
Discard = 8388608
Help = 16777216
Apply = 33554432
Reset = 67108864
RestoreDefaults = 134217728
FirstButton = 1024
LastButton = 134217728
YesAll = 32768
NoAll = 131072
Default = 256
Escape = 512
FlagMask = 768
ButtonMask = 4294966527
TYPED_RESPONSES = {'FALSE_RESPONSE': False, 'NONE_RESPONSE': None, 'TRUE_RESPONSE': True}
Warning = 2
Yes = 16384
YesAll = 32768
YesRole = 5
YesToAll = 32768
about(parent: QWidget, caption: str, text: str)
aboutQt(parent: QWidget, title: str = '')
accept(self)
acceptDrops(self) → bool
accepted

accepted(self) [signal]

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])
addButton(self, button: QAbstractButton, role: QMessageBox.ButtonRole)
addButton(self, text: str, role: QMessageBox.ButtonRole) → QPushButton
addButton(self, button: QMessageBox.StandardButton) → QPushButton
adjustSize(self)
autoFillBackground(self) → bool
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, b: bool) → bool
button(self, which: QMessageBox.StandardButton) → QAbstractButton
buttonClicked

buttonClicked(self, button: QAbstractButton) [signal]

buttonRole(self, button: QAbstractButton) → QMessageBox.ButtonRole
buttons(self) → List[QAbstractButton]
changeEvent(self, a0: QEvent)
checkBox(self) → QCheckBox
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)
clickedButton(self) → QAbstractButton
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
critical(parent: QWidget, title: str, text: str, buttons: QMessageBox.StandardButton = QMessageBox.Ok, defaultButton: QMessageBox.StandardButton = QMessageBox.NoButton) → QMessageBox.StandardButton
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, pos: QPoint) [signal]

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

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

detailedText(self) → str
devType(self) → int
devicePixelRatio(self) → float
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(a0: QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, signal: QMetaMethod)
done(self, a0: int)
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)
escapeButton(self) → QAbstractButton
event(self, e: 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]
finished

finished(self, result: int) [signal]

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
forgetResponse()
frameGeometry(self) → QRect
frameSize(self) → QSize
geometry(self) → QRect
getResponse()

Override this method to specify the nature of the “response” to save. Here it is simply True, to indicate that the “Do not show this again” checkbox has been checked.

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)
icon(self) → QMessageBox.Icon
iconPixmap(self) → QPixmap
information(parent: QWidget, title: str, text: str, buttons: QMessageBox.StandardButton = QMessageBox.Ok, defaultButton: QMessageBox.StandardButton = QMessageBox.NoButton) → QMessageBox.StandardButton
informativeText(self) → str
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
isSizeGripEnabled(self) → 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]

open(self)
open(self, slot: PYQT_SLOT) → None
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(parent: QWidget, title: str, text: str, buttons: QMessageBox.StandardButton = QMessageBox.StandardButtons(QMessageBox.Yes | QMessageBox.No), defaultButton: QMessageBox.StandardButton = QMessageBox.NoButton) → QMessageBox.StandardButton
raise_(self)
receivers(self, signal: PYQT_SIGNAL) → int
rect(self) → QRect
reject(self)
rejected

rejected(self) [signal]

releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, id: int)
removeAction(self, action: QAction)
removeButton(self, button: QAbstractButton)
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
result(self) → int
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
setCheckBox(self, cb: QCheckBox)
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])
setDefaultButton(self, button: QPushButton)
setDefaultButton(self, button: QMessageBox.StandardButton) → None
setDetailedText(self, text: str)
setDisabled(self, a0: bool)
setEnabled(self, a0: bool)
setEscapeButton(self, button: QAbstractButton)
setEscapeButton(self, button: QMessageBox.StandardButton) → None
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)
setIcon(self, a0: QMessageBox.Icon)
setIconPixmap(self, a0: QPixmap)
setInformativeText(self, text: str)
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)
setModal(self, modal: bool)
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
setResult(self, r: int)
setScreen(self, a0: QScreen)
setShortcutAutoRepeat(self, id: int, enabled: bool = True)
setShortcutEnabled(self, id: int, enabled: bool = True)
setSizeGripEnabled(self, a0: bool)
setSizeIncrement(self, w: int, h: int)
setSizeIncrement(self, s: QSize) → None
setSizePolicy(self, a0: QSizePolicy)
setSizePolicy(self, hor: QSizePolicy.Policy, ver: QSizePolicy.Policy) → None
setStandardButtons(self, buttons: QMessageBox.StandardButton)
setStatusTip(self, a0: str)
setStyle(self, a0: QStyle)
setStyleSheet(self, styleSheet: str)
setTabOrder(a0: QWidget, a1: QWidget)
setTabletTracking(self, enable: bool)
setText(self, a0: str)
setTextFormat(self, a0: Qt.TextFormat)
setTextInteractionFlags(self, flags: Qt.TextInteractionFlag)
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, title: 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)
standardButton(self, button: QAbstractButton) → QMessageBox.StandardButton
standardButtons(self) → QMessageBox.StandardButton
standardIcon(icon: QMessageBox.Icon) → QPixmap
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
text(self) → str
textFormat(self) → Qt.TextFormat
textInteractionFlags(self) → Qt.TextInteractionFlag
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(parent: QWidget, title: str, text: str, buttons: QMessageBox.StandardButton = QMessageBox.Ok, defaultButton: QMessageBox.StandardButton = QMessageBox.NoButton) → QMessageBox.StandardButton
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.playertoolbar.QWidgetStyled

Bases: PyQt6.QtWidgets.QWidget

In order to style QWidgets using stylesheet, this custom paintEvent method must be implemented.

paintEvent(e)

See QtWidgets.QWidget documentation for more information.

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
__init__(*args, **kwargs)
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)
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
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.playertoolbar.TrajectoryQMenu

Bases: PyQt6.QtWidgets.QMenu

In order to show the QMenu at location above parent tool button, it traps a showEvent() and move menu at desired position.

showEvent(event)

See QtWidgets.QMenu documentation for more information. Moves menu position slightly above parent tool button.

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
__init__(*args, **kwargs)
aboutToHide

aboutToHide(self) [signal]

aboutToShow

aboutToShow(self) [signal]

acceptDrops(self) → bool
accessibleDescription(self) → str
accessibleName(self) → str
actionAt(self, a0: QPoint) → QAction
actionEvent(self, a0: QActionEvent)
actionGeometry(self, a0: QAction) → QRect
actions(self) → List[QAction]
activateWindow(self)
activeAction(self) → QAction
addAction(self, a0: QAction)
addAction(self, text: str) → QAction
addAction(self, text: str, slot: PYQT_SLOT, shortcut: Union[QKeySequence, QKeySequence.StandardKey, str, int] = 0) → QAction
addAction(self, icon: QIcon, text: str) → QAction
addAction(self, icon: QIcon, text: str, slot: PYQT_SLOT, shortcut: Union[QKeySequence, QKeySequence.StandardKey, str, int] = 0) → QAction
addActions(self, actions: Iterable[QAction])
addMenu(self, menu: QMenu) → QAction
addMenu(self, title: str) → QMenu
addMenu(self, icon: QIcon, title: str) → QMenu
addSection(self, text: str) → QAction
addSection(self, icon: QIcon, text: str) → QAction
addSeparator(self) → 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
clear(self)
clearFocus(self)
clearMask(self)
close(self) → bool
closeEvent(self, a0: QCloseEvent)
colorCount(self) → int
columnCount(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)
defaultAction(self) → QAction
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, a0: QEnterEvent)
event(self, a0: QEvent) → bool
eventFilter(self, a0: QObject, a1: QEvent) → bool
exec(self) → QAction
exec(self, p: QPoint, action: typing.Optional[QAction] = None) → QAction
exec(actions: Iterable[QAction], pos: QPoint, at: typing.Optional[QAction] = None, parent: typing.Optional[QWidget] = None) → QAction
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)
hideTearOffMenu(self)
hovered

hovered(self, action: QAction) [signal]

icon(self) → QIcon
inherits(self, classname: str) → bool
initPainter(self, painter: QPainter)
initStyleOption(self, option: QStyleOptionMenuItem, action: QAction)
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])
insertMenu(self, before: QAction, menu: QMenu) → QAction
insertSection(self, before: QAction, text: str) → QAction
insertSection(self, before: QAction, icon: QIcon, text: str) → QAction
insertSeparator(self, before: QAction) → QAction
installEventFilter(self, a0: QObject)
isActiveWindow(self) → bool
isAncestorOf(self, child: QWidget) → bool
isEmpty(self) → 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
isTearOffEnabled(self) → bool
isTearOffMenuVisible(self) → 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
menuAction(self) → QAction
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
popup(self, p: QPoint, action: typing.Optional[QAction] = None)
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
separatorsCollapsible(self) → bool
setAcceptDrops(self, on: bool)
setAccessibleDescription(self, description: str)
setAccessibleName(self, name: str)
setActiveAction(self, act: QAction)
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])
setDefaultAction(self, a0: QAction)
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)
setIcon(self, icon: QIcon)
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)
setNoReplayFor(self, widget: QWidget)
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)
setSeparatorsCollapsible(self, collapse: bool)
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)
setTearOffEnabled(self, a0: bool)
setTitle(self, title: str)
setToolTip(self, a0: str)
setToolTipDuration(self, msec: int)
setToolTipsVisible(self, visible: bool)
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)
showFullScreen(self)
showMaximized(self)
showMinimized(self)
showNormal(self)
showTearOffMenu(self)
showTearOffMenu(self, pos: QPoint) → None
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)
title(self) → str
toolTip(self) → str
toolTipDuration(self) → int
toolTipsVisible(self) → bool
tr(sourceText: str, disambiguation: typing.Optional[str] = None, n: int = - 1) → str
triggered

triggered(self, action: QAction) [signal]

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.playertoolbar.TrajectoryMaestroSettings(proj, eid, adjust_pos_func, translate_to_first_unit_cell)

Bases: object

Whenever player is setup for a trajectory entry, it saves current settings and apply specific settings. Whenever player state is cleared, it restores original settings.

__init__(proj, eid, adjust_pos_func, translate_to_first_unit_cell)

Save original values of maestro settings and apply new settings according to trajectory mode.

Parameters

  • proj (project.Project handle.) – Project handle

  • eid (int) – Entry id

  • adjust_pos_func (method(bool)) – Function callback to be called to update the adjust position.

  • translate_to_first_unit_cell (bool) – Indicates whther ‘Translate to first unit cell’ is toggled on or off.

setMaxPBCAtomsForUnitCell(translate_to_first_unit_cell)

Set maxpbcatoms based on translate_to_first_unit_cell. maxpbcatoms will be set to 0, if True, otherwise to the original maxpbcatoms.

Parameters

translate_to_first_unit_cell (bool) – Indicates whther ‘Translate to first unit cell’ is toggled on or off.

restore()

” Restore maestro settings using original values which were initially changed.

class schrodinger.trajectory.trajectory_gui_dir.playertoolbar.EntryTrajectory(proj: schrodinger.project.project.Project, eid: int, matsci_profile: bool)

Bases: object

It encapsulates all the data related to trajectory inside this object. Primary information stored are trajectory entry settings, cms model, msys model, and list of trajectory frames.

  • Supports both fixed and varying atoms frame trajectory.

    • When every frame has the same number of atoms, it is called fixed atoms trajectory.

    • When all frames do not have same number of atoms, it is called varying atoms trajectory.

  • Supports full system ct validation against entry ct.

  • Atoms visibility handling.

  • Trajectory frame positioning (center or superimpose, no-position)

  • Secondary structure update

  • Restoriation of original entry ct.

__init__(proj: schrodinger.project.project.Project, eid: int, matsci_profile: bool)
Parameters

  • proj – The project containing this trajectory.

  • eid – The entry id attached to this trajectory.

  • matsci_profile – Whether current maestro profile is MatSci. It is used to configure default settings based on the profile.

initLambdaDynamicsData()

Initialize data (ld_state2atoms and _ld_state_index_range) for lambda dynamics trajectory

_ld_state_index_range - dictionary with key site string and tuple value containing range of indices

ld_state2atoms - dictionary with key site string and list of list of atom indices

isLambdaDynamicsTraj()

Is cms_model lambda dynamics trajectory. Checks if LD_PROP_STATES2ATOMS_MAP property exist.

Returns

True if it is a lambda dynamics trajectory.

Return type

bool

detectVaryingAtomsFrame()

Identify if trajectory contains varying atoms frame or not and accordingly set EntryTrajectory._has_inactive_atoms data member.

property reference_entry_statistics
Returns

Return reference entry statistics object if available.

Return type

ReferenceEntryStatistics

property reference_entry_included_first
Returns

True if reference entry is included first in the workspace.

Return type

bool

property has_secondary_structure
@return bool indicating if structure has secondary structure properties

or not.

updateSavedFrameStructureForExport(st: schrodinger.structure._structure.Structure)

Update active frame structure for export operation.

updateTrajectoryEntryStructure(workspace_st, atoms_bs, change_type)

Update saved original entry structure according to change type from the workspace structure.

Parameters

  • workspace_st (schrodinger.structure.Structure) – The workspace strucutre

  • atoms_bs (MMbs handle) – The MMbs handle of atoms which are affected by this change. Note that atoms_bs represents indices in the workspace structure and it is possible that workspace structure contains replica or external reference structure, so mapping for workspace structure atom indices to original entry structure needs to be taken care in this method.

  • change_type (maestro_ui.MMENUM_DGO_CHANGED_TYPE) – Type of workspace change (color, label, or ribbon)

canAcceptWorkspaceStructureChange(change_type)

Find out if given change type can be accepted by EntryTrajectory

Parameters

change_type (maestro_ui.MMENUM_DGO_CHANGED_TYPE) – Type of workspace change (color, label, or ribbon, representation)

Returns

True if change type is allowed to be accepted by this class.

Return type

bool

hasPlaybackSettingsData()

Check if the current entry trajectory has playback settings as entry properties

Returns

True if eid has playback settings set otherwise False

Return type

bool

getCMSPathAndTrajDir()

Return the path to the CMS file and trajectory directory. Material Science case, it generates cms file, if required.

readTrajectory()

Read trajectory using desmond APIs and initialize trajectory entry information.

isSameTrajectory(eid: int)

Find out if trajectory associated with given entry id is same as this object.

Parameters

eid – The entry id attached to this trajectory.

Return type

bool

Returns

Whether the trajectory of same entry id is already loaded.

isValid()

Check if trajetory is initialized properly or not.

Return type

bool

Returns

Whether the trajectory object is property constructed.

isSingleFrameTrajectory()

Check if trajetory has a single frame or more than one frame.

Return type

bool

Returns

Whether the trajectory object has more than one frame.

reload()

Reload trajectory. When user switches between No Position, Align reference frame, or Center view positions, we need to pull original trajectory, so that we can get original trajectory because Align reference frame and Center view position modify trajectory data.

This function is expected to be called only if desmond system has already been loaded once.

getFrame(frame_number: int)

Returns a frame object corresponding to frame number.

getFrameTime(frame_number: int)

Return frame chemical time in nano seconds.

getSmoothingFrames(frame_number: int)

Return smoothing frames based on given frame_number and smoothing setting value, or None if smoothing is not greater than 1

Parameters

frame_number – Frame number for which smoothing frames are required.

Return type

list(schrodinger.application.desmond.packages.traj.Frame) or None

Returns

List of frames to be used for smoothing.

updateViewPosition(forced_update: bool, asl: str)

Update trajectory based on view position tab settings and adjust frame. To center molecule, ASL must be valid and matched atoms must be at least 1.

To align molecules, ASL must be valid and matched atoms must be at least 3.

Parameters

  • forced_update – Reload frames from default.

  • asl – ASL to be used.

Return type

bool

Returns

Whether the trajectory view positions are updated successfully.

getAtomTotal(frame_ct: schrodinger.structure._structure.Structure)
Parameters

frame_ct – Frame ct

Return type

int

Returns

Given frame ct atom total.

getFrameActiveAtomTotal(frame_number: int)

return: Return total active atom count in the given frame.

initFrameToActiveAtomTotalMap()

Initialize a map of frame to its associated atom total.

getFrameToActiveAtomTotalMap()
Returns

A list of active atom total of all frames.

Return type

list(int)

isFrameStructureChanged(main_ct: schrodinger.structure._structure.Structure)

Whether the given structure changed with respect to the frame structure. Only atom count is taken into consideration when comparision structures for changes. It is possible to have atoms total in the workspace structure be the same as full system structure because frame structure could have been reset to full system structure for varying atoms frame.

Parameters

main_ct – Main ct.

Return type

bool

Returns

Whether the given structure changed with respect to frame ct.

restoreEntryCT(eid: int, sync_workspace: bool, is_snapshot_mode_active: bool)

Save original trajectory ct in the project entry because atoms position or visibility might have changed during play. CT will not be restored in case of any modification.

Parameters

  • eid – Entry id associated with current project.

  • sync_workspace – Whether or not synchronize changes in the workspace.

  • is_snapshot_mode_active – True if player was showing frame in the snapshot viewing mode.

isUserEditedEntryCt(entry_ct: schrodinger.structure._structure.Structure, is_snapshot_mode_active: bool)

Structure can be modified by automatic mechanism like replication, frame snapshot viewing, these situations should not modify real structure.

Parameters

entry_ct – Current entry ct stored in the project.

Return type

bool

Returns

True if structure is edited by the user.

getNumberOfReplica()

Returns number of replica including all dimensions.

Return type

int

Returns

Number of replica

getReplicateVector()

Returns replicate vector i.e tuple of x, y, z

Return type

tuple(int, int, int)

Returns

Return tuple of replication vector

visibilityChanged(displayed: list, undisplayed: list, entry_start_atom: int)

Update saved atoms visibility according to new state. The list of atoms represent workspace atoms, so we need to make sure that atoms belonging from this entry are updated.

Parameters

  • displayed – List of atoms which are displayed.

  • undisplayed – List of atoms which are undisplayed.

  • entry_start_atom – First entry atom number in the workspace ct.

getEntryAtomTotal()

Return trajectory entry atom count.

Return type

int

Returns

Trajectory entry atom total

usingTemporaryFrameStructure()

If trajectory contains fixed atoms frame and there is no replica, we operate directly on workspace structure (i.e. main ct). Otherwise, operate on temporary frame ct. :return: True if frame structure is not intended to be used same as workspace structure.

property allow_reference_entry

If trajectory is superimposed on external structure, we allow one more entry in the workspace, so that total entries in the workspace are 2.

property reference_entry_id
Returns

Return reference entry id if there is any.

property trajectory_start_atom_in_workspace_structure
Returns

Return frame structure starting atom position in the workspace structure.

Return type

int

property is_matsci_traj
Return type

bool

Returns

Whether the trajectory is coming from materials.

getTrajectoryAtomTotalInWorkspaceStructure(main_ct: schrodinger.structure._structure.Structure)

If external structure is allowed to superimpose on frame structure, then main_ct atom total does not reflect trajectory atom total in the workspace structure, so we compute trajectory atom total here.

Parameters

main_ct – Workspace structure

Returns

Return trajectory atoms total in the workspace structure including replica or varying atoms.

Return type

int

isVaryingAtomsFrame()

If trajectory contains inactive atoms (i.e. varying atoms frame) or not.

Return type

bool

Returns

  • For fixed atoms trajectory, it returns False.

  • For varying atoms trajectory, it returns True.

restoreDefaultVisibility(frame_ct: schrodinger.structure._structure.Structure)

Set default trajectory entry atoms visibility in the frame ct.

Parameters

frame_ct – Frame structure.

applyVisibilityAsl(frame_ct: schrodinger.structure._structure.Structure, asl: str, display_only: bool, visible: bool)

Apply visibility asl according to evaluated asl on frame ct associated with this trajectory entry.

Parameters

  • frame_ct – Frame structure.

  • asl – ASL to be evaluated for this entry.

  • visible – Visibility value of atoms matching the asl.

updateFrameMatsci(frame_ct: schrodinger.structure._structure.Structure)

Update frame structure ct in place using matsci protocols.

Parameters

frame_ct – Frame structure to be updated

updateFrameStructure(frame_number: int, smoothing: bool)

Update frame structure ct corresponding to given frame. Also return frame structure corresponding to given frame number.

Parameters

  • frame_number – Frame number of the requested frame.

  • smoothing – Whether to perform smoothing of atom coordinates. We want to perform smoothing when playing trajectory and we want to avoid this when exporting structure (this can cause structures to be unrealistic)

Return type

structure.Structure

Returns

Return an updated frame ct.

Note function assumes frame_number is a valid frame in the trajectory and caller should always use returned ct for updating its own data, but should not modify returned ct.

getUpdatedFrameStructure(frame_number: int, frame_ct: schrodinger.structure._structure.Structure, frames_to_smooth: list)

Update given frame structure ct corresponding to given frame. and return updated frame structure.

Parameters

  • frame_number – Frame number of the requested frame.

  • frame_ct – Frame structure to be updated.

  • frames_to_smooth – Frames whose atom coordinates are to be smoothed to update the atom coordinates in frame_ct.

Return type

structure.Structure

Returns

Return an updated frame ct.

hideShowLambdaDynamicsStates(frame: schrodinger.application.desmond.packages.traj.Frame, frame_ct: schrodinger.structure._structure.Structure)

Hide or show lambda dynamics states This should be applied to every frame_ct if ld_state2atoms`and `_ld_state_index_range is defined

Parameters

  • frame – trajectory frame

  • frame_ct – Frame structure to be updated This function modifies the structure state (changes visibility atoms)

Return type

bool

Returns

Whether atom visibility changed.

getLambdaDynamicsMenuActionText(frame_ct: schrodinger.structure._structure.Structure, key: str, site_state_index: int, lambda_value: float) → str

Get lambda dynamics menu action text for a given frame structure, lambda dynamics key, site state index and lambda value.

Parameters

  • frame_ct – Frame structure

  • key – Lambda dynamics key

  • site_state_index – Site state index

  • lambda_value – Lambda value (value between 0 and 1)

Returns

lambda dynamics menu action text

isLambdaDynamicsSiteAtoms(key: str, site_state_index: int) → bool

Check if lambda dynamics site atoms exist for a given key and site state index.

param key: Lambda dynamics key

param site_state_index: Site state index

return: True if lambda dynamics site atoms exist for a given key and site state index, otherwise False

resetStructure(sync_workspace: bool)

Reset entry’s structure with trajectory structure

Parameters

sync_workspace – Synchronize workspace after resetting a structure in the project.

Return type

bool

Returns

Whether the entry structure is reset succesfully.

entryStructureIsValid(frame_number: int)

Validates entry structure with trajectory frame or full system structure. For varying atoms frame, we can not guarantee that full system structure atom total is same as entry atom total (while playing or if user modifies frame ct), so check with updated frame structure. For fixed atoms frame trajectory, we can guarantee that full system structure atom total is same as entry atom total.

Parameters

frame_number – The frame number relative to that entry structure will be validated for varying atoms frame.

Return type

bool

Returns

Whether the structure is valid.

Note: As a side effect, it also updates EntryTrajectory.frame_ct.

assignSecondaryStructure()

Quick assign secondary structure properties.

getBoxProperties(frame_number: int)

Return box properties for the given frame number. If there is no frame corresponding to frame number, it uses cms_model box properties.

Parameters

frame_number – The frame number of the box for which points will be computed.

Return type

list

Returns

List of 9 properties (ax, ay, az, bx, by, bz, cx, cy, cz)

getCoordsMinMax(frame_number: int)

Return structure minimum, maximum coordinates along three axes of a frame. If there is no frame corresponding to frame number, it uses cms_model.

Parameters

frame_number – The frame number

Return type

list, list

Returns

List of minimum coordinates, list of maximum coordinates

getCrystalUnitCellBoxPoints(frame_number: int, pbc_position: Union[None, str])

Compute crystal unit cell points.

Parameters

  • frame_number – The frame number of the box for which points will be computed.

  • pbc_position – PBC position anchored at some origin defined by its value. None corresponds to the default value

Return type

list(list)

Returns

List of 4 box points

getBoxPoints(frame_number: int)

Compute simulation box points.

Parameters

frame_number – The frame number of the box for which points will be computed.

Return type

list(maestro_ui.MM_GraphicsVec3d) or None

Returns

List of 4 box points or None

getWaterMapBoxTranslationVector()

If trajectory is generated from WaterMap, then trajectory cms file also contains 3 watermap specific properties which define translation values. r_watermap_trans1 -> x direction r_watermap_trans2 -> y direction r_watermap_trans3 -> z direction

This setting is applicable only if player view position setting is not center molecule in workspace.

updateBoxPropertiesInProject(frame_number: int)

Update box property’s value in the project.

class schrodinger.trajectory.trajectory_gui_dir.playertoolbar.TrajectoryPlayer(trj_hub=None, matsci_profile=False, parent=None)

Bases: schrodinger.trajectory.trajectory_gui_dir.playertoolbar.QWidgetStyled

This is a toolbar for the Trajectory player

Variables

  • currentFrameChanged (QtCore.pyqtSignal) – A signal emitted when the current frame changes in the player.

  • showTrajectorySnapshotPanel (QtCore.pyqtSignal) – A signal emitted when user clicks on View Snapshot menu from EXPORT button.

  • trajectoryLoaded (QtCore.pyqtSignal) – A signal emitted when a new trajectory is loaded in the player. Emits the total number of frames in the new trajectory

  • trajectoryUnloaded (QtCore.pyqtSignal) – A signal emitted when a trajectory is unloaded from the player.

  • closed – A signal emitted when player toolbar is closed.

  • atomsSelectedToggled (QtCore.pyqtSignal) – A signal emitted when atom selection changes. Emits a bool indicating if there are any atoms selected in the workspace

currentFrameChanged
showTrajectorySnapshotPanel
trajectoryLoaded
trajectoryUnloaded
closed
createPlot
atomsSelectedToggled
multiAtomsSelectedToggled
MAX_ALLOWED_ENTRIES_IN_WORKSPACE = 2
__init__(trj_hub=None, matsci_profile=False, parent=None)

Sets up all the tool buttons in the toolbar.

See parent QtWidgets.QWidget for documentation.

Parameters

  • matsci_profile (bool) – A flag indicating if it is matsci profile. It is used to configure default setting in the profile.

  • trj_hub (maestro_ui.TrajectoryViewerHub) – The TrajectoryViewerHub which provides interaction with maestro.

addLambdaDynamicsSitesButtonAndMenu(base_layout: PyQt6.QtWidgets.QHBoxLayout)

Add lambda dynamics sites button and View Lambda Site menu

Parameters

base_layout – adding button to this layout

handleStepBackShortcut()

When trajectory player was paused, and user presses left arrow key, step back button should be activated.

handleStepForwardShortcut()

When trajectory player was paused, and user presses right arrow key, step forward button should be activated.

projectAboutToClose()

Handle trajectory entry when project is about to be closed.

For varying atoms frame, we also have to sync workspace, otherwise even though we restore the entry ct, the workspace will be in a different state, therefore it overrides the entry ct.

closePlayerIfAllowed()

Called when user clicks on X button.

If player is saving a movie, warn user before closing a player, otherwise hide player, notify clients and restore default entry ct.

setEntryTraj(entry_traj=None)

Set the EntryTrajectory for this panel.

Parameters

entry_traj (EntryTrajectory or None) – EntryTrajectory to be set.

showMovieInterruptionDialog(interruption_type)

Show movie interruption warning dialog. If user pressed Save, save only currently saved frames. If user pressed Resume, continue saving all frames. If user pressed Cancel, discard all saved frames.

Parameters

interruption_type (enum(MovieInterruptionType)) – Interruption source button.

Return type

enum(MovieInterruptionDialogRetCode)

Returns

Button pressed by user.

restoreEntryCT(eid: int, sync_workspace: bool)

Save original trajectory ct in the project entry because atoms position or visibility might have changed during play. CT will not be restored in case of any modification.

Parameters

  • eid – Entry id associated with current project.

  • sync_workspace – Whether or not synchronize changes in the workspace.

pausePlayer()

Slot of maestro_ui.MM_QLineEdit.clicked() signal caused by current frame text edit box. Slot of maestro_ui.TripleMarkerSlider.mouseDragged() signal caused by slider drag. Pause a player and remember its current state.

resumePlayer()

  1. Resume playing if player was paused due to current frame text edit box.

  2. Slot of maestro_ui.TripleMarkerSlider.mouseReleased() signal caused by stopping slider drag.

  3. Advance Setting dialog is displayed.

playOrPauseButtonClicked(checked)

Rewind player when user clicks on play button and next frame is not a valid frame and loop option is NONE.

updatePlayerTooltip()

Player button tooltip depends on player state, so appropriately update tooltip.

playOrPauseButtonToggled()

Update icons and start player if player button is checked.

startOrStepBackButtonClicked()

Step back by step size or jump to start based on player state.

updateCurrentFrame()

  1. Show current frame in the workspace.

  2. Update player gui.

Return type

bool

Returns

Whether the current frame is updated.

loadEntryID(eid)

Loads an entry ID, displaying a message if the trajectory is not found

Parameters

eid (int) – Entry ID of the requested trajectory

Return type

bool

Returns

Whether the entry ID was found and included

displayPlotSelection(fit_asl, eid, frame_idx=None)

Loads the given entry ID, updates the current frame, and display an asl selection

Parameters

  • fit_asl (str) – ASL to fit Workspace to after loading frame

  • eid (int) – Entry ID of the requested trajectory

  • frame_idx (int or None) – Frame to be loaded with 1-based indexing. If None, no frame is loaded

endOrStepForwardButtonClicked()

Jump to end or forward by step size based on player state.

updatePlayerBackAndForwardButtons(player_active, current_value)

Update back and forward buttons enable state depending on current value.

If saving movie, then we should never enable back and forward buttons.

savingMovie()
Return type

bool

Returns

True if saving a movie.

ensureValidCurrentFrame()

Make sure that valid value is set in the current frame text edit box.

sliderValuesChanged()

Slot which gets called whenenver any slider point value changes. Updates current frame text box, elapsed time, and total time to view entire trajectory, current frame text box valid range.

updatePlayer()

Update all components of player toolbar.

getTimeValueInRange(start_frame: int, end_frame: int)

Compute total time for a given range. Function returns valid value only if there is a valid trajectory and start and end frame numbers are valid.

Parameters

  • start_frame – Starting frame number.

  • end_frame – Ending frame number.

Returns

Total time in the given range.

Return type

float

updateTotalTime()

Update total time label keeping slider min and max in the consideration.

updateElapsedTime()

Update elapsed time label keeping slider current and min size in the consideration.

currentFrameValueChanged()

Slot which gets called whenenver current frame value text changes.

Updates middle slider point and elapsed time.

property current_min_value

Return slider’s left point value.

property current_max_value

Return slider’s right point value.

property current_value

Return slider’s middle point value. 0-indexed value.

property current_frame_number

Return current frame number.

property total_frame

Return total frame in the trajectory.

formattedValue(value)

Return formatted value of 2 precision in string format.

property total_time

Return total time to view trajectory.

property elapsed_time

Return elapsed time of trajectory view.

property player_active

Return true if player is running.

updateSimulationBox()

Compute simulation box points and notify maestro to show/hide simulation box. Notify maestro to draw simulation box based on current frame box position. TODO: MultipleTrajectory - We need to update all trajectories simulation box.

getStartAtom(entry_traj: schrodinger.trajectory.trajectory_gui_dir.playertoolbar.EntryTrajectory)

Get starting atom of this trajectory entry in the workspace ct.

Parameters

entry_traj – Trajecotry object of which first atom we need to find in the workspace structure.

Return type

int

Returns

First atom in the workspace structure associated with this trajectory entry.

Note: This will change for multiple trajectories.

property simbox_visible

Return true if simulation box is visible.

setDisplayAtomsASL(unused, forced_update=True)

Set matching atoms asl. This ASL acts as display only asl if Playback Settings -> Advanced tab -> Display Only checked, otherwise acts as hide specified atoms.

Parameters

  • unused (bool) – It is not used.

  • forced_update (bool) – Update current frame in workspace if player is not active.

canAcceptVisibilityChange(all_included)

Check if visibility change can be accepted or not.

@param all_included: Currently included entries list. @type all_included: list

@return: True if visibility change can be accepted @rtype: bool

visibilityChanged(displayed, undisplayed)

Update saved atoms visibility according to new state. It honors visibility changes only if visibility is updated by any component which is not a part of player toolbar.

Parameters

  • displayed (list(int)) – List of atoms which are displayed.

  • undisplayed (list(int)) – List of atoms which are undisplayed.

workspaceEntryStructureChanged(atoms_bs, change_type)

Slot to handle workspace entry structure changes. It identifies type of structure change (color change, ribbon setting change, label setting change, representation change) and accordingly transfer changes in the saved original entry structure.

When snapshot mode is active, we don’t propagate changes in the original entry structure because those changes are transient.

Parameters

  • atoms_bs (MMbs handle) – The MMbs handle of atoms which are affected by this change.

  • change_type (maestro_ui.MMENUM_DGO_CHANGED_TYPE) – Type of workspace change (color, label, or ribbon)

applyDisplayAtomsASLOnCT(entry_traj: schrodinger.trajectory.trajectory_gui_dir.playertoolbar.EntryTrajectory, frame_ct: schrodinger.structure._structure.Structure)

Display or hide atoms in the frame_ct based on stored atoms asl.

ASL acts as display only asl if Playback Settings -> Advanced tab -> Display Only checked, otherwise acts as hide specified atoms.

Parameters

  • frame_ct – The ct to be updated.

  • entry_traj – Entry trajectory to be used to update visibility.

getOriginalEntryCT(copy: bool)
Parameters

copy – True if caller needs a copy.

Return type

structure.Structure

Returns

Copy of initial entry ct or reference to it.

isVaryingAtomsFrame()

If trajectory contains inactive atoms (i.e. varying atoms frame) or not.

Return type

bool

Returns

  • For fixed atoms trajectory, it returns False.

  • For varying atoms trajectory, it returns True.

getUpdatedFrameSnapshot(frame_number: int, frame_ct: schrodinger.structure._structure.Structure, forced_update: bool, use_display_asl: bool)

Update frame ct using given frame number’s associated frame. Also update atoms visibility based on player defined visibility asl.

Parameters

  • frame_number – Frame number of the frame to be used for updation.

  • frame_ct – Frame structure which will be updated.

  • forced_update – Forcefully updated (it is required when first frame is loaded).

  • use_display_asl – Determine if display asl should also be applied or not.

Return type

structure.Structure

Returns

Updated frame structure.

shouldUpdateVisibility(entry_traj: schrodinger.trajectory.trajectory_gui_dir.playertoolbar.EntryTrajectory)

Check if visibility should be updated or not. Applicable in both restoring original visibility and apply asl based visibility.

Parameters

entry_traj – Entry trajectory to be used to know if fixed atoms frame ct or varying atoms frame ct.

Return type

bool

Returns

True if visibility should be updated.

shouldRestoreVisibility(entry_traj: schrodinger.trajectory.trajectory_gui_dir.playertoolbar.EntryTrajectory)

Determine if frame ct visibility should be restored or not.

Parameters

entry_traj – Entry trajectory to be used to know if fixed atoms frame ct or varying atoms frame ct.

Return type

bool

Returns

True if visibility should be restored.

needVisibilityUpdate(entry_traj: schrodinger.trajectory.trajectory_gui_dir.playertoolbar.EntryTrajectory)

Determine if frame ct visibility should be updated or not.

Parameters

entry_traj – Entry trajectory to be used to know if fixed atoms frame ct or varying atoms frame ct.

Return type

bool

Returns

True if visibility should be updated.

applyDisplayAtomsASL(entry_traj: schrodinger.trajectory.trajectory_gui_dir.playertoolbar.EntryTrajectory, changed_structure: bool)

Display or hide atoms based on stored atoms asl in the entry_traj’s frame ct. ASL acts as display only asl if Playback Settings -> Advanced tab -> Display Only checked, otherwise acts as hide specified atoms.

Parameters

  • entry_traj – Entry trajectory to be used to update visibility.

  • changed_structure – Indicates if structure itself is changed or not.

Return type

bool

Returns

Whether the asl is applied.

updatePBCMeasurement(entry_traj, frame_number)

Update data in maestro_ui.TrajectoryViewerHub, so that maestro calculate measurements keeping PBC in consideration.

Parameters

frame_number (int) – Frame number to be displayed in workspace. Possible values are 1 to self.total_frame

getUpdatedCT(entry_traj: schrodinger.trajectory.trajectory_gui_dir.playertoolbar.EntryTrajectory, frame_number: int, main_ct: schrodinger.structure._structure.Structure, honor_replica: bool, smoothing: bool)

Update entry_traj frame ct using given frame number and apply changes in the main_ct either by transferring delta change or by copying frame ct from scratch.

Parameters

  • entry_traj – Entry trajectory object.

  • frame_number – Frame to be used to update main ct.

  • main_ct – The main ct which will be updated using entry traj’s frame.

  • honor_replica – Whether to honor replica. Export structure does not support replica.

  • smoothing – Whether to perform smoothing of atom coordinates. We want to perform smoothing when playing trajectory and we want to avoid this when exporting structure (this can cause structures to be unrealistic)

Return type

tuple(structure.Structure, bool, bool, maestro_ui.MMENUM_DGO_CHANGED_TYPE, dict)

Returns

(Modified main_ct or a copy of frame_ct, True if original structure is modified, True if visibility changed, DGO change type if secondary structure assignment was performed, renumbering dictionary (Keys are atom number before deleting and value for each is the new atom number or None if that atom was deleted).

syncCTAtomsFromFrameAtoms(frame_ct: schrodinger.structure._structure.Structure, main_ct: schrodinger.structure._structure.Structure, old_frame_atom_total: int, eid: int, trajectory_atom_total_in_main_ct: int, trajectory_start_atom: int)

Varying atoms frame does not always contain same number of atoms as in the previous frame. main_ct represents a previously displayed frame atoms. So we need to adjust main_ct atoms according to new frame ct.

If main_ct contains replica atoms, then we don’t do anything because it is simpler to clone frame_ct and extend in the main_ct instead of selectively deleting/adding atoms in the middle of main_ct.

Parameters

  • frame_ct – New frame ct to be used for synching atom.

  • main_ct – Main ct to be updated.

  • old_frame_atom_total – Previously displayed frame atom total.

  • eid – Entry id to be set when new atoms are added in the main_ct.

  • trajectory_atom_total_in_main_ct – Total trajectory atoms in the workspace structure (including replica and varying atoms).

  • trajectory_start_atom – Starting position of trajectory atom in the workspace structure.

Return type

tuple(structure.Structure, dict)

Returns

Modified main ct or unchanged main ct and renumbering dictionary. Keys are atom number before deleting and value for each is the new atom number or None if that atom was deleted.

updateStructureFromFrame(frame_number: int, main_ct: schrodinger.structure._structure.Structure, notify_maestro: bool)

Validate main ct and update main_ct using given trajectory frame. If notify_maestro is True, notify maestro to display updated main ct in the workspace as well.

Parameters

  • frame_number – Frame number to be displayed in workspace. Possible values are 1 to self.total_frame

  • main_ct – Workspace ct to be updated using given frame.

  • notify_maestro – Whether to notify maestro about workspace changes.

transferFrameChangeToCT(frame_ct: schrodinger.structure._structure.Structure, main_ct: schrodinger.structure._structure.Structure, replica_vector: tuple, update_ss: bool, trajectory_start_atom: int)

Copy frame ct changes - position, secondary structure, and visibility in the main ct. The main ct may not exactly have same number of atoms as in the frame ct if replica_vector != (1,1,1)

Parameters

  • frame_ct – Frame ct to be used as reference.

  • main_ct – Workspace ct to be updated using frame_ct.

  • replica_vector – Replication vector in a,b,c direction.

  • update_ss – Whether secondary structure properties needs to be updated.

  • trajectory_start_atom – Starting position of trajectory atom in the workspace structure.

Note: This function modifies the main_ct.

notifyMaestro(main_ct: schrodinger.structure._structure.Structure, changed_structure: bool, visibility_changed: bool, dgo_change: schrodinger.ui._maestro_ui.MMENUM_DGO_CHANGED_TYPE, atom_id_map: dict)

Notify maestro about workspace ct changes and update simulation box.

Parameters

  • main_ct – Structure to be set as workspace ct if structure was changed.

  • changed_structure – True if st is different than workspace ct.

  • visibility_changed – True if atoms visibility changed in the st.

  • dgo_change (maestro.MMENUM_DGO_CHANGED_TYPE) – Type of dgo change.

  • atom_id_map – A dictionary of old to new atoms. Keys are atom number before deleting and value for each is the new atom number or None if that atom was deleted.

updateFrameCTTitle(st, frame_number)

Update given frame ct title based on frame number.

Parameters

  • st (structure.Structure) – Frame structure

  • frame_number (int) – Frame number to be displayed in workspace.

getStartFrame()

Return start frame number. Internally frame numbering uses 0-based index, but user interface uses 1-based index.

getEndFrame()

Return end frame number.

getNextFrameNumber(play_direction, curr_frame)

Return next frame number based on player direction and step size. Returns None if it is not possible to get next frame number.

takeTrajectoryStep(curr_frame)

Return next frame number based on player direction, step size, and loop option.

isValidFrame(curr_frame)

Return true if given frame number is valid.

setSnapshotPanelVisibility(visible: bool)

Set snapshot visiblity state.

Parameters

visible – True if visible.

property is_snapshot_panel_visible
Returns

True if snapshot panel is visible.

Return type

bool

setReferenceEntryStatistics(use_full_system_ct: bool)

Set reference entry statistics for the current trajectory if allowed. :param use_full_system_ct: When trajectory is initially loaded, this flag is True indicating that full system ct should be used as reference because for varying atoms, frame ct may not be in sync with full system ct.

inclusionUpdated(included, excluded, all_included, previous_included)

Slot associated with WorkspaceHub.inclusionChanged() signal.

Parameters

  • included (list(int)) – List of included entry ids in the workspace.

  • excluded (list(int)) – List of excluded entry ids from the workspace.

  • all_included (list(int)) – List of currently included entry ids in the workspace ct, it does not guarantee that project also has same included entries at the moment because this slot may be triggered before updating the entry workspace state in the project.

  • previous_included – List of previously included entry ids in the workspace ct.

property is_snapshot_mode_active
Return type

bool

Returns

True if display frames from snapshot panel is activated.

clearTrajectory()

Stop current trajectory play if player is active. Delete trajectory object. Disable player controls. Clear all trajectory related gui control values.

setToolbarEnabled(enable)

Enable or disable all toolbar controls except X button.

If player is in saving movie mode, then we don’t disable play/pause button also.

property proj

Return current maestro project object.

getEid()

Return current trajectory entry id.

property reference_entry_id
Returns

Return reference entry id is there is any.

syncWorkspaceStructureWithEntryTrajectory()

Sync workspace with entry trajectory. This function is a no-op for fixed atoms trajectory.

Workspace contains original imported entry structure. In the case of varying atoms trajectory, trajectory frame are displayed with the active atoms in the frame, so workspace structure won’t match with the trajectory’s full system model ct or frame ct. This function syncs the workspace with current frame’s frame ct, so that trajectory can be loaded correctly in the playertoolbar and in the workspace.

setupTrajectory(eids, show_player)

Setup trajectory settings in the player for a given list of entry ids.

Parameters

  • eids (list(int)) – The list of entry ids to be used for trajectory playing.

  • show_player – Determine if player should also be shown.

  • multiple_included (bool) – True if more than one entries are included in the workspace at the time of setting up trajectory.

Note: current only single trajectory is supported, so eids is a list of

single entry.

updateLambdaSitesUI(visible: bool)

Set visibility for lambda_sites_button and lambda_dynamics_vertical_line

Parameters

visible – True to make lambda_sites_button and lambda_dynamics_vertical_line visible

updateSliderValues(start_frame, end_frame, current_frame)

Update slider values based on start, end, and current frame.

updateFrameTimerInterval(frame_duration)

Updates frame_timer interval using the frame_duration

updateStepSize(step_size, update_player=True)

Updates step size.

Parameters

  • step_size (int) – Step size to be used while stepping in the trajectory. Possible values are 1-99 or self.endFrame() - self.startFrame().

  • update_player (bool) – Indicates whether or not update player toolbar gui.

setupContextMenu()

Setup player toolbar context menu.

contextMenuEvent(event)

This function redefines context menu event for the player toolbar. Context menu is displayed only if there is no child widget at right clicked position.

Parameters

event (QtGui.QContextMenuEvent) – Qt context menu event

setupPlotMenu(plot_button)

Sets up the plot menu

Parameters

plot_button (QToolButton) – Plot button to hook up menu to

createLambdaDynamicsMenu()

Create lambda dynamics menu Create ‘VIEW LAMBDA SITE’ popup menu

clearLambdaDynamicsDependentUI()

Clear lambda dynamics menu actions and hide button Remove all actions but title action with no data Hide lambda_sites_button and lambda_dynamics_vertical_line

setupLambdaDynamicsMenuActions()

Setup lambda dynamics menu. Populate ‘VIEW LAMBDA SITE’ popup menu with actions

isLambdaDynamicsMenuActionTextValid(ikey: int) → bool

Check if action text is valid for given key

Parameters

ikey – index of key in self.entry_traj.ld_state2atoms.keys()

Returns

True if action text is valid

isLambdaDynamicsMenuActionsTextUpdated() → bool

Check if lambda dynamics menu actions text is updated

return: True if lambda dynamics menu actions text is updated

updateLambdaDynamicsMenuActionsText()

Update lambda dynamics menu actions text for current frame

selectAndFitLambdaDynamicsSite()

Callback for ‘VIEW LAMBDA SITE’ popup menu actions For corresponding site select and fit atoms.

setupExportMenu(export_button)

Sets up Export button menu.

connectToPlaybackSettingsPopup()

Connect to PlaybackSettings popup (self.playback_settings_popup) for change in playback settings.

updateViewPosition(forced_update=True)

Update trajectory based on view position tab settings and adjust frame. To center molecule, ASL must be valid and matched atoms must be at least 1.

To align molecules, ASL must be valid and matched atoms must be at least 3.

Parameters

forced_update (bool) – Copy all frame’s position array and adjust frame in the workspace using new view position setting.

translateToFirstUnitCellChanged()

Update player according to ‘Translate to first unit cell’ and simulation box settings

settingsChanged(forced_update=True)

Update player according to current PlaybackSettings

Parameters

forced_update (bool) – Whether to update current frame

handleAdvancedSettings(forced_update=True)

Update player according to the advanced settings data

updateLoopOption(loop_option)

Update loop option (NONE, SINGLE, OSCILLATE)

updatePlayDirection(play_direction, update_player=True)

Update play direction icon and direction member (FORWARD, BACKWARD)

Parameters

  • play_direction (enum(Direction)) – Direction of play as specified by trajectory_gui_dir.playback_settings_popup.data.Direction.

  • update_player (bool) – Indicates whether or not update player toolbar gui.

showAdvancedSettings()

Shows ‘Advanced Playback Settings’ dialog

uncheckPlaybackSettingsButton()

Unchecks ‘Playback Settings’ button when ‘Playback Settings’ popup is hidden/closed.

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
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
getTimeTooltip(slider_index, frame_number)

Return tooltip text for time.

Parameters

  • slider_index (int) – The frame slider index (left, middle, or right)

  • frame_number (int) – The current valid frame number represented by slider point.

Returns

Time tooltip text.

Return type

str

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)
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(e)

See QtWidgets.QWidget documentation for more information.

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
updateFrameSliderToolTip(slider_index)

Update tooltip text for a frame slider. Tooltip displays both frame number and elapsed time. For middle slider, it also displays total frames and current frame position taking into consideration min, max, and step size.

Parameters

slider_index (int) – the frame slider index (left, middle, or right)

addVerticalLine(base_layout)

Add a vertical line of fixed width in the given layout

Returns

A vertical line widget

Return type

QtWidgets.QFrame

snapshotModeChanged(state: bool)

When snapshot panel mode activates, we should disable player toolbar and hide simulation box.

Parameters

state – Determine if snapshot panel mode activated or deactivated.

snapshotPanelClosed()

Snapshot panel can load trajectory without showing a player toolbar, so make sure that trajectory is unloaded if player is not visible.

getFrameToActiveAtomTotalMap()
Returns

A list of active atom total of all frames

Return type

list(int)

class schrodinger.trajectory.trajectory_gui_dir.playertoolbar.MovieSaver(player_obj)

Bases: object

This class provides ability to save trajectory movie.

__init__(player_obj)
Parameters

player_obj (TrajectoryPlayer) – Trajectory player toolbar object.

clearData()

Clean all data members.

exportMovie()

Display a export movie dialog and collect all necessary inputs to save a movie.

stopSavingMovie(ok_status=True)

Restore current frame, start, end, direction, and loop options set before saving movie and notify maestro to save in the movie file. Function is a no-op if we were not saving a movie.

Parameters

ok_status (bool) – True if stopping movie gracefully (i.e. all frames are saved successfully)

savingMovie()
Return type

bool

Returns

True if saving movie.

saveFrameForMovie()

Save current trajectory frame for movie.