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(