schrodinger.trajectory.trajectory_gui_dir.trajectory_messages module

class schrodinger.trajectory.trajectory_gui_dir.trajectory_messages.MessageButton(value)[source]

Bases: enum.Enum

Enums for message buttons

REMOVE = (1,)
RESET = (2,)
CANCEL = 3
schrodinger.trajectory.trajectory_gui_dir.trajectory_messages.show_snapshot_atom_limit_warning(num_frames: int, num_atoms: int, parent=None) → bool[source]

Shows a snapshot atom limit warning message

Parameters

  • num_frames (integer) – number of frames

  • num_atoms (integer) – number of atoms

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

Returns

Whether the Ok button was pressed

Return type

bool

schrodinger.trajectory.trajectory_gui_dir.trajectory_messages.show_invalid_structure_dlg(parent=None)[source]

Shows message for ‘Invalid Structure Found’

Parameters

parent (QtWidgets.QWidget) – Parent widget of the dialog

Returns

Button pressed by user

Return type

MessageButton.RESET or MessageButton.CANCEL

schrodinger.trajectory.trajectory_gui_dir.trajectory_messages.show_invalid_trajectory_file_dlg(trj_path, parent=None)[source]

Shows message for ‘Invalid Trajectory File’

Parameters

  • trj_path (str) – Trajectory path that has issue.

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

Returns

Button pressed by user

Return type

MessageButton.REMOVE or MessageButton.CANCEL

schrodinger.trajectory.trajectory_gui_dir.trajectory_messages.trajectory_not_loaded_dlg(parent=None)[source]

Shows question message for trajectory not loaded

Returns

Whether the Ok button was pressed

Return type

bool

schrodinger.trajectory.trajectory_gui_dir.trajectory_messages.trajectory_not_found_dlg(parent=None)[source]

Shows warning message for trajectory not found

Returns

Whether the Ok button was pressed

Return type

bool

class schrodinger.trajectory.trajectory_gui_dir.trajectory_messages.SaveDefinitionsDialog(*args, **kwargs)[source]

Bases: schrodinger.ui.qt.filedialog.FileDialog

Save file dialog for .st2 files. Has an additional combo box at the bottom for saving a specific trajectory definition.

__init__(*args, **kwargs)[source]
Parameters

  • parent (qwidget) – the widget over which this dialog should be shown. If not given, the Dialog will be placed by PyQt.

  • caption (str) – the name that appears in the titlebar of this dialog. If not given the title will be the default PyQt caption.

  • directory (str) – the initial directory displayed in this dialog, default is the current directory.

  • filter (str) – the list of filters that can be applied to this directory the format is "Filetype1 (*.ex1);;Filetype2 (*.ex2 *.ex3)". Default is all files.

  • custom_sidebar (bool) – True if the Schrodinger sidebar should be used, False if the default PyQt sidebar should be used.

  • sidebar_links (dict) – Use to create extra links in the left-hand sidebar of the dialog. the keys of the dictionary are a unique identifier for each link (note that ‘home’ and ‘working’ are already used), and the values are tuples of the form (path, name) where path and name are str, path indicates the path the sidebar link points to, and name is the name displayed for the link.

resetDefinitions()[source]
setDefinitions(new_definitions)[source]

Sets the available definitions for the save dialog to use

Parameters

new_definitions (dict) – New dictionary of defintions

getSaveFileAndDefinition()[source]

Gets a filepath and definition for the st2 file

Returns

tuple of (filepath, definition) for that file

Accept = 3
class AcceptMode

Bases: int

AcceptOpen = 0
AcceptSave = 1
Accepted = 1
AnyFile = 0
Detail = 0
class DialogCode

Bases: int

class DialogLabel

Bases: int

Directory = 2
DirectoryOnly = 4
DontConfirmOverwrite = 4
DontUseCustomDirectoryIcons = 128
DontUseNativeDialog = 16
DontUseSheet = 8
DrawChildren = 2
DrawWindowBackground = 1
ExistingFile = 1
ExistingFiles = 3
class FileMode

Bases: int

FileName = 1
FileType = 2
HideNameFilterDetails = 64
IgnoreMask = 4
List = 1
LookIn = 0
class Option

Bases: int

class Options
class Options(Union[QFileDialog.Options, QFileDialog.Option]) → None
class Options(QFileDialog.Options) → None

Bases: sip.simplewrapper

__init__(*args, **kwargs)
class PaintDeviceMetric

Bases: int

PdmDepth = 6
PdmDevicePixelRatio = 11
PdmDevicePixelRatioScaled = 12
PdmDpiX = 7
PdmDpiY = 8
PdmHeight = 2
PdmHeightMM = 4
PdmNumColors = 5
PdmPhysicalDpiX = 9
PdmPhysicalDpiY = 10
PdmWidth = 1
PdmWidthMM = 3
ReadOnly = 32
Reject = 4
Rejected = 0
class RenderFlag

Bases: int

class RenderFlags
class RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) → None
class RenderFlags(QWidget.RenderFlags) → None

Bases: sip.simplewrapper

__init__(*args, **kwargs)
ShowDirsOnly = 1
class ViewMode

Bases: int

accept(self)
acceptDrops(self) → bool
acceptMode(self) → QFileDialog.AcceptMode
accepted

accepted(self) [signal]

accessibleDescription(self) → str
accessibleName(self) → str
actionEvent(self, QActionEvent)
actions(self) → List[QAction]
activateWindow(self)
addAction(self, QAction)
addActions(self, Iterable[QAction])
adjustSize(self)
autoFillBackground(self) → bool
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, bool) → bool
changeEvent(self, QEvent)
childAt(self, QPoint) → QWidget
SaveDefinitionsDialog.childAt(self, int, int) -> QWidget
childEvent(self, QChildEvent)
children(self) → List[QObject]
childrenRect(self) → QRect
childrenRegion(self) → QRegion
clearFocus(self)
clearMask(self)
close(self) → bool
closeEvent(self, QCloseEvent)
colorCount(self) → int
connectNotify(self, QMetaMethod)
contentsMargins(self) → QMargins
contentsRect(self) → QRect
contextMenuEvent(self, QContextMenuEvent)
contextMenuPolicy(self) → Qt.ContextMenuPolicy
create(self, window: PyQt5.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget
currentChanged

currentChanged(self, str) [signal]

currentUrlChanged

currentUrlChanged(self, QUrl) [signal]

cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, QPoint) [signal]

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

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

devType(self) → int
devicePixelRatio(self) → int
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
directory(self) → QDir
directoryEntered

directoryEntered(self, str) [signal]

directoryUrl(self) → QUrl
directoryUrlEntered

directoryUrlEntered(self, QUrl) [signal]

disconnect(QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, QMetaMethod)
done(self, int)
dragEnterEvent(self, QDragEnterEvent)
dragLeaveEvent(self, QDragLeaveEvent)
dragMoveEvent(self, QDragMoveEvent)
dropEvent(self, QDropEvent)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
effectiveWinId(self) → PyQt5.sip.voidptr
ensurePolished(self)
enterEvent(self, QEvent)
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
exec(self) → int
exec_()

In Python3, exec is no longer a reserved word, so PyQt now provides exec wrappings of Qt exec methods. Preserving exec_ for backwards compatibility.

fileMode(self) → QFileDialog.FileMode
fileSelected

fileSelected(self, str) [signal]

filesSelected

filesSelected(self, Iterable[str]) [signal]

filter(self) → QDir.Filters
filterSelected

filterSelected(self, str) [signal]

find(PyQt5.sip.voidptr) → QWidget
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject
findChild(self, Tuple, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject
findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
finished

finished(self, int) [signal]

focusInEvent(self, QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, bool) → bool
focusOutEvent(self, QFocusEvent)
focusPolicy(self) → Qt.FocusPolicy
focusPreviousChild(self) → bool
focusProxy(self) → QWidget
focusWidget(self) → QWidget
font(self) → QFont
fontInfo(self) → QFontInfo
fontMetrics(self) → QFontMetrics
foregroundRole(self) → QPalette.ColorRole
frameGeometry(self) → QRect
frameSize(self) → QSize
geometry(self) → QRect
getContentsMargins(self) → Tuple[int, int, int, int]
static getExistingDirectory(parent='', caption='Choose Directory', dir=None, accept_label='Choose', file_mode=4, **kwargs)

Convenience function that returns a directory name as selected by the user

The base class base_file_dialog documents the keyword arguments for this class.

Parameters

file_mode (QFileDialog.FileMode) – What the user can select. See the PyQt documentation for QFileDialog.FileMode (currently AnyFile, ExistingFile, Directory and ExistingFiles are the options). Note that despite what the PyQt documentation states, it appears that QFileDialog.DirectoryOnly is needed to only display directores - it is not sufficient to use QFileDialog.Directory and setOptions(ShowDirsOnly). Use QFileDialog.Directory to have the dialog also show the files in each directory.

Return type

str or None

Returns

full pathname of the file selected by the user, or None if Cancel was pressed

getExistingDirectoryUrl(parent: QWidget = None, caption: str = '', directory: QUrl = QUrl(), options: Union[QFileDialog.Options, QFileDialog.Option] = QFileDialog.ShowDirsOnly, supportedSchemes: Iterable[str] = []) → QUrl
static getOpenFileName(parent='', caption='Open File', dir=None, filter='All Files (*)', **kwargs)

Convenience function that returns a single filename as selected by the user

The base class base_file_dialog documents the keyword arguments for this class.

Return type

str or None

Returns

full pathname of the file selected by the user, or None if Cancel was pressed

static getOpenFileNames(parent='', caption='Open Files', dir=None, filter='All Files (*)', accept_label='Open', file_mode=3, **kwargs)

Convenience function that returns a list of filenames as selected by the user

The base class base_file_dialog documents the keyword arguments for this class.

Return type

list of str or None

Returns

list of full file pathnames selected by the user, or None if Cancel was pressed.

getOpenFileUrl(parent: QWidget = None, caption: str = '', directory: QUrl = QUrl(), filter: str = '', initialFilter: str = '', options: Union[QFileDialog.Options, QFileDialog.Option] = 0, supportedSchemes: Iterable[str] = []) → Tuple[QUrl, str]
getOpenFileUrls(parent: QWidget = None, caption: str = '', directory: QUrl = QUrl(), filter: str = '', initialFilter: str = '', options: Union[QFileDialog.Options, QFileDialog.Option] = 0, supportedSchemes: Iterable[str] = []) → Tuple[List[QUrl], str]
static getSaveFileName(parent='', caption='Save File', dir=None, filter='All Files (*)', accept_label='Save', accept_mode=1, file_mode=0, **kwargs)

Convenience function that returns a filename as selected by the user

The base class base_file_dialog documents the keyword arguments for this class.

Return type

str or None

Returns

full pathname of the file selected by the user, or None if Cancel was pressed

getSaveFileUrl(parent: QWidget = None, caption: str = '', directory: QUrl = QUrl(), filter: str = '', initialFilter: str = '', options: Union[QFileDialog.Options, QFileDialog.Option] = 0, supportedSchemes: Iterable[str] = []) → Tuple[QUrl, str]
grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(- 1, - 1))) → QPixmap
grabGesture(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)
grabMouse(self, Union[QCursor, Qt.CursorShape]) → None
grabShortcut(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int
graphicsEffect(self) → QGraphicsEffect
graphicsProxyWidget(self) → QGraphicsProxyWidget
hasFocus(self) → bool
hasHeightForWidth(self) → bool
hasMouseTracking(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, int) → int
heightMM(self) → int
hide(self)
hideEvent(self, QHideEvent)
history(self) → List[str]
iconProvider(self) → QFileIconProvider
inherits(self, str) → bool
initPainter(self, QPainter)
inputMethodEvent(self, QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHints
inputMethodQuery(self, Qt.InputMethodQuery) → Any
SaveDefinitionsDialog.insertAction(self, QAction, QAction)
insertActions(self, QAction, Iterable[QAction])
installEventFilter(self, QObject)
isActiveWindow(self) → bool
isAncestorOf(self, QWidget) → bool
isEnabled(self) → bool
isEnabledTo(self, QWidget) → bool
isFullScreen(self) → bool
isHidden(self) → bool
isLeftToRight(self) → bool
isMaximized(self) → bool
isMinimized(self) → bool
isModal(self) → bool
isRightToLeft(self) → bool
isSignalConnected(self, QMetaMethod) → bool
isSizeGripEnabled(self) → bool
isVisible(self) → bool
isVisibleTo(self, QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
itemDelegate(self) → QAbstractItemDelegate
keyPressEvent(self, QKeyEvent)
keyReleaseEvent(self, QKeyEvent)
keyboardGrabber() → QWidget
killTimer(self, int)
labelText(self, QFileDialog.DialogLabel) → str
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, QEvent)
locale(self) → QLocale
logicalDpiX(self) → int
logicalDpiY(self) → int
lower(self)
mapFrom(self, QWidget, QPoint) → QPoint
mapFromGlobal(self, QPoint) → QPoint
mapFromParent(self, QPoint) → QPoint
mapTo(self, QWidget, QPoint) → QPoint
mapToGlobal(self, QPoint) → QPoint
mapToParent(self, QPoint) → QPoint
mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, QPaintDevice.PaintDeviceMetric) → int
mimeTypeFilters(self) → List[str]
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
mouseDoubleClickEvent(self, QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, QMouseEvent)
mousePressEvent(self, QMouseEvent)
mouseReleaseEvent(self, QMouseEvent)
move(self, QPoint)
SaveDefinitionsDialog.move(self, int, int) -> None
moveEvent(self, QMoveEvent)
moveToThread(self, QThread)
nameFilters(self) → List[str]
nativeEvent(self, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

open(self)
open(self, PYQT_SLOT) → None
options(self) → QFileDialog.Options
overrideWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])
overrideWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
paintEngine(self) → QPaintEngine
paintEvent(self, QPaintEvent)
paintingActive(self) → bool
palette(self) → QPalette
parent(self) → QObject
parentWidget(self) → QWidget
physicalDpiX(self) → int
physicalDpiY(self) → int
pos(self) → QPoint
previousInFocusChain(self) → QWidget
property(self, str) → Any
proxyModel(self) → QAbstractProxyModel
pyqtConfigure(...)

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

raise_(self)
receivers(self, PYQT_SIGNAL) → int
rect(self) → QRect
reject(self)
rejected

rejected(self) [signal]

releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, int)
removeAction(self, QAction)
removeEventFilter(self, QObject)
render(self, QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.RenderFlag.DrawWindowBackground | QWidget.RenderFlag.DrawChildren))
render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.RenderFlag.DrawWindowBackground | QWidget.RenderFlag.DrawChildren)) → None
repaint(self)
SaveDefinitionsDialog.repaint(self, int, int, int, int) -> None
repaint(self, QRect) → None
repaint(self, QRegion) → None
resize(self, QSize)
SaveDefinitionsDialog.resize(self, int, int) -> None
resizeEvent(self, QResizeEvent)
restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool
restoreState(self, Union[QByteArray, bytes, bytearray]) → bool
result(self) → int
saveGeometry(self) → QByteArray
saveState(self) → QByteArray
SaveDefinitionsDialog.scroll(self, int, int)
SaveDefinitionsDialog.scroll(self, int, int, QRect) -> None
selectFile(self, str)
selectMimeTypeFilter(self, str)
selectNameFilter(self, str)
selectUrl(self, QUrl)
selectedFiles(self) → List[str]
selectedMimeTypeFilter(self) → str
selectedNameFilter(self) → str
selectedUrls(self) → List[QUrl]
sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, bool)
setAcceptMode(self, QFileDialog.AcceptMode)
setAccessibleDescription(self, str)
setAccessibleName(self, str)
setAttribute(self, Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, bool)
setBackgroundRole(self, QPalette.ColorRole)
SaveDefinitionsDialog.setBaseSize(self, int, int)
setBaseSize(self, QSize) → None
SaveDefinitionsDialog.setContentsMargins(self, int, int, int, int)
setContentsMargins(self, QMargins) → None
setContextMenuPolicy(self, Qt.ContextMenuPolicy)
setCursor(self, Union[QCursor, Qt.CursorShape])
setDefaultSuffix(self, str)
setDirectory(self, str)
setDirectory(self, QDir) → None
setDirectoryUrl(self, QUrl)
setDisabled(self, bool)
setEnabled(self, bool)
setFileMode(self, QFileDialog.FileMode)
setFilter(self, Union[QDir.Filters, QDir.Filter])
setFixedHeight(self, int)
setFixedSize(self, QSize)
SaveDefinitionsDialog.setFixedSize(self, int, int) -> None
setFixedWidth(self, int)
setFocus(self)
setFocus(self, Qt.FocusReason) → None
setFocusPolicy(self, Qt.FocusPolicy)
setFocusProxy(self, QWidget)
setFont(self, QFont)
setForegroundRole(self, QPalette.ColorRole)
setGeometry(self, QRect)
SaveDefinitionsDialog.setGeometry(self, int, int, int, int) -> None
setGraphicsEffect(self, QGraphicsEffect)
setHidden(self, bool)
setHistory(self, Iterable[str])
setIconProvider(self, QFileIconProvider)
setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])
setItemDelegate(self, QAbstractItemDelegate)
setLabelText(self, QFileDialog.DialogLabel, str)
setLayout(self, QLayout)
setLayoutDirection(self, Qt.LayoutDirection)
setLocale(self, QLocale)
setMask(self, QBitmap)
setMask(self, QRegion) → None
setMaximumHeight(self, int)
SaveDefinitionsDialog.setMaximumSize(self, int, int)
setMaximumSize(self, QSize) → None
setMaximumWidth(self, int)
setMimeTypeFilters(self, Iterable[str])
setMinimumHeight(self, int)
SaveDefinitionsDialog.setMinimumSize(self, int, int)
setMinimumSize(self, QSize) → None
setMinimumWidth(self, int)
setModal(self, bool)
setMouseTracking(self, bool)
setNameFilter(self, str)
setNameFilters(self, Iterable[str])
setObjectName(self, str)
setOption(self, QFileDialog.Option, on: bool = True)
setOptions(self, Union[QFileDialog.Options, QFileDialog.Option])
setPalette(self, QPalette)
setParent(self, QWidget)
setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType]) → None
setProperty(self, str, Any) → bool
setProxyModel(self, QAbstractProxyModel)
setResult(self, int)
setShortcutAutoRepeat(self, int, enabled: bool = True)
setShortcutEnabled(self, int, enabled: bool = True)
setSidebarUrls(self, Iterable[QUrl])
setSizeGripEnabled(self, bool)
SaveDefinitionsDialog.setSizeIncrement(self, int, int)
setSizeIncrement(self, QSize) → None
setSizePolicy(self, QSizePolicy)
setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy) → None
setStatusTip(self, str)
setStyle(self, QStyle)
setStyleSheet(self, str)
setSupportedSchemes(self, Iterable[str])
SaveDefinitionsDialog.setTabOrder(QWidget, QWidget)
setTabletTracking(self, bool)
setToolTip(self, str)
setToolTipDuration(self, int)
setUpdatesEnabled(self, bool)
setViewMode(self, QFileDialog.ViewMode)
setVisible(self, bool)
setWhatsThis(self, str)
setWindowFilePath(self, str)
setWindowFlag(self, Qt.WindowType, on: bool = True)
setWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])
setWindowIcon(self, QIcon)
setWindowIconText(self, str)
setWindowModality(self, Qt.WindowModality)
setWindowModified(self, bool)
setWindowOpacity(self, float)
setWindowRole(self, str)
setWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
setWindowTitle(self, str)
sharedPainter(self) → QPainter
show(self)
showEvent(self, QShowEvent)
showFullScreen(self)
showMaximized(self)
showMinimized(self)
showNormal(self)
sidebarUrls(self) → List[QUrl]
signalsBlocked(self) → bool
size(self) → QSize
sizeHint(self) → QSize
sizeIncrement(self) → QSize
sizePolicy(self) → QSizePolicy
stackUnder(self, QWidget)
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
statusTip(self) → str
style(self) → QStyle
styleSheet(self) → str
supportedSchemes(self) → List[str]
tabletEvent(self, QTabletEvent)
testAttribute(self, Qt.WidgetAttribute) → bool
testOption(self, QFileDialog.Option) → bool
thread(self) → QThread
timerEvent(self, QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(self, str, disambiguation: str = None, n: int = - 1) → str
underMouse(self) → bool
ungrabGesture(self, Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)
update(self, QRect) → None
update(self, QRegion) → None
SaveDefinitionsDialog.update(self, int, int, int, int) -> None
updateGeometry(self)
updateMicroFocus(self)
updatesEnabled(self) → bool
urlSelected

urlSelected(self, QUrl) [signal]

urlsSelected

urlsSelected(self, Iterable[QUrl]) [signal]

viewMode(self) → QFileDialog.ViewMode
visibleRegion(self) → QRegion
whatsThis(self) → str
wheelEvent(self, QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → PyQt5.sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowFlags
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, str) [signal]

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

windowTitleChanged(self, str) [signal]

windowType(self) → Qt.WindowType
x(self) → int
y(self) → int
class schrodinger.trajectory.trajectory_gui_dir.trajectory_messages.RMSDDialog(*args, **kwargs)[source]

Bases: schrodinger.ui.qt.basewidgets.BaseWidget

RMSD/RMSF Dialog for specifying reference frame or structure for the trajectory plot gui.

ui_module = <module 'schrodinger.trajectory.trajectory_gui_dir.rmsd_settings_dialog_ui' from '/scr/buildbot/savedbuilds/2022-1/NB/build-139/internal/lib/python3.8/site-packages/schrodinger/trajectory/trajectory_gui_dir/rmsd_settings_dialog_ui.py'>
trajectoryChanged
initSetOptions()[source]

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

initSetUp()[source]

Creates widget from ui and stores it ui_widget.

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

getStructure()[source]

Returns structure to calculate RMSD against based on settings

getSuperimposeAsl()[source]

Get the superimpose asl string in the dialog

getFrameNumber()[source]
getSelectedAsl()[source]
reset()[source]

Resets the RMSD settings to taking data from frame 1

APPLY_LEGACY_STYLESHEET = True
class BtnPos(value)

Bases: enum.IntEnum

An enumeration.

Left = 0
Middle = 1
Right = 2
DrawChildren = 2
DrawWindowBackground = 1
IgnoreMask = 4
class PaintDeviceMetric

Bases: int

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

Bases: int

class RenderFlags
class RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) → None
class RenderFlags(QWidget.RenderFlags) → None

Bases: sip.simplewrapper

__init__(*args, **kwargs)
SHOW_AS_WINDOW = False
class StdBtn(value)

Bases: enum.IntEnum

An enumeration.

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

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

colorCount(self) → int
connectNotify(self, QMetaMethod)
contentsMargins(self) → QMargins
contentsRect(self) → QRect
contextMenuEvent(self, QContextMenuEvent)
contextMenuPolicy(self) → Qt.ContextMenuPolicy
create(self, window: PyQt5.sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, QPoint) [signal]

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

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

devType(self) → int
devicePixelRatio(self) → int
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(QMetaObject.Connection) → bool
disconnect(self) → None
disconnectNotify(self, QMetaMethod)
dragEnterEvent(self, QDragEnterEvent)
dragLeaveEvent(self, QDragLeaveEvent)
dragMoveEvent(self, QDragMoveEvent)
dropEvent(self, QDropEvent)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
effectiveWinId(self) → PyQt5.sip.voidptr
ensurePolished(self)
enterEvent(self, QEvent)
error(*args, **kwargs)

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

event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
find(PyQt5.sip.voidptr) → QWidget
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject
findChild(self, Tuple, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject
findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]
focusInEvent(self, QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, bool) → bool
focusOutEvent(self, QFocusEvent)
focusPolicy(self) → Qt.FocusPolicy
focusPreviousChild(self) → bool
focusProxy(self) → QWidget
focusWidget(self) → QWidget
font(self) → QFont
fontInfo(self) → QFontInfo
fontMetrics(self) → QFontMetrics
foregroundRole(self) → QPalette.ColorRole
forgetMessageBoxResponse(key)

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

Parameters

key – the key for the response to forget

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

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

inherits(self, str) → bool
initFinalize()

Suggested subclass use: perform any remaining initialization.

initLayOut()

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

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

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

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

initPainter(self, QPainter)
initSetDefaults()

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

inputMethodEvent(self, QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHints
inputMethodQuery(self, Qt.InputMethodQuery) → Any
RMSDDialog.insertAction(self, QAction, QAction)
insertActions(self, QAction, Iterable[QAction])
installEventFilter(self, QObject)
isActiveWindow(self) → bool
isAncestorOf(self, QWidget) → bool
isEnabled(self) → bool
isEnabledTo(self, QWidget) → bool
isFullScreen(self) → bool
isHidden(self) → bool
isLeftToRight(self) → bool
isMaximized(self) → bool
isMinimized(self) → bool
isModal(self) → bool
isRightToLeft(self) → bool
isSignalConnected(self, QMetaMethod) → bool
isVisible(self) → bool
isVisibleTo(self, QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
keyPressEvent(self, QKeyEvent)
keyReleaseEvent(self, QKeyEvent)
keyboardGrabber() → QWidget
killTimer(self, int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, QEvent)
locale(self) → QLocale
logicalDpiX(self) → int
logicalDpiY(self) → int
lower(self)
mapFrom(self, QWidget, QPoint) → QPoint
mapFromGlobal(self, QPoint) → QPoint
mapFromParent(self, QPoint) → QPoint
mapTo(self, QWidget, QPoint) → QPoint
mapToGlobal(self, QPoint) → QPoint
mapToParent(self, QPoint) → QPoint
mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, QPaintDevice.PaintDeviceMetric) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
mouseDoubleClickEvent(self, QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, QMouseEvent)
mousePressEvent(self, QMouseEvent)
mouseReleaseEvent(self, QMouseEvent)
move(self, QPoint)
RMSDDialog.move(self, int, int) -> None
moveEvent(self, QMoveEvent)
moveToThread(self, QThread)
nativeEvent(self, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

overrideWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])
overrideWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
paintEngine(self) → QPaintEngine
paintEvent(self, QPaintEvent)
paintingActive(self) → bool
palette(self) → QPalette
parent(self) → QObject
parentWidget(self) → QWidget
physicalDpiX(self) → int
physicalDpiY(self) → int
pos(self) → QPoint
previousInFocusChain(self) → QWidget
property(self, str) → Any
pyqtConfigure(...)

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

question(*args, **kwargs)

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

raise_(self)
receivers(self, PYQT_SIGNAL) → int
rect(self) → QRect
releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, int)
removeAction(self, QAction)
removeEventFilter(self, QObject)
render(self, QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.RenderFlag.DrawWindowBackground | QWidget.RenderFlag.DrawChildren))
render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.RenderFlag.DrawWindowBackground | QWidget.RenderFlag.DrawChildren)) → None
repaint(self)
RMSDDialog.repaint(self, int, int, int, int) -> None
repaint(self, QRect) → None
repaint(self, QRegion) → None
reportValidation(results)

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

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

Parameters

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

Returns

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

resize(self, QSize)
RMSDDialog.resize(self, int, int) -> None
resizeEvent(self, QResizeEvent)
restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool
run(blocking=False, modal=False, finished_callback=None)

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

Parameters

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

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

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

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

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

Parameters

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

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

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

Returns

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

Return type

ValidationResults or bool

saveGeometry(self) → QByteArray
RMSDDialog.scroll(self, int, int)
RMSDDialog.scroll(self, int, int, QRect) -> None
sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, bool)
setAccessibleDescription(self, str)
setAccessibleName(self, str)
setAttribute(self, Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, bool)
setBackgroundRole(self, QPalette.ColorRole)
RMSDDialog.setBaseSize(self, int, int)
setBaseSize(self, QSize) → None
RMSDDialog.setContentsMargins(self, int, int, int, int)
setContentsMargins(self, QMargins) → None
setContextMenuPolicy(self, Qt.ContextMenuPolicy)
setCursor(self, Union[QCursor, Qt.CursorShape])
setDisabled(self, bool)
setEnabled(self, bool)
setFixedHeight(self, int)
setFixedSize(self, QSize)
RMSDDialog.setFixedSize(self, int, int) -> None
setFixedWidth(self, int)
setFocus(self)
setFocus(self, Qt.FocusReason) → None
setFocusPolicy(self, Qt.FocusPolicy)
setFocusProxy(self, QWidget)
setFont(self, QFont)
setForegroundRole(self, QPalette.ColorRole)
setGeometry(self, QRect)
RMSDDialog.setGeometry(self, int, int, int, int) -> None
setGraphicsEffect(self, QGraphicsEffect)
setHidden(self, bool)
setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])
setLayout(self, QLayout)
setLayoutDirection(self, Qt.LayoutDirection)
setLocale(self, QLocale)
setMask(self, QBitmap)
setMask(self, QRegion) → None
setMaximumHeight(self, int)
RMSDDialog.setMaximumSize(self, int, int)
setMaximumSize(self, QSize) → None
setMaximumWidth(self, int)
setMinimumHeight(self, int)
RMSDDialog.setMinimumSize(self, int, int)
setMinimumSize(self, QSize) → None
setMinimumWidth(self, int)
setMouseTracking(self, bool)
setObjectName(self, str)
setPalette(self, QPalette)
setParent(self, QWidget)
setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType]) → None
setProperty(self, str, Any) → bool
setShortcutAutoRepeat(self, int, enabled: bool = True)
setShortcutEnabled(self, int, enabled: bool = True)
RMSDDialog.setSizeIncrement(self, int, int)
setSizeIncrement(self, QSize) → None
setSizePolicy(self, QSizePolicy)
setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy) → None
setStatusTip(self, str)
setStyle(self, QStyle)
setStyleSheet(self, str)
RMSDDialog.setTabOrder(QWidget, QWidget)
setTabletTracking(self, bool)
setToolTip(self, str)
setToolTipDuration(self, int)
setUpdatesEnabled(self, bool)
setVisible(self, bool)
setWhatsThis(self, str)
setWidgetLayout()

Set the widget layout

setWindowFilePath(self, str)
setWindowFlag(self, Qt.WindowType, on: bool = True)
setWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])
setWindowFlagsForRun()
setWindowIcon(self, QIcon)
setWindowIconText(self, str)
setWindowModality(self, Qt.WindowModality)
setWindowModified(self, bool)
setWindowOpacity(self, float)
setWindowRole(self, str)
setWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
setWindowTitle(self, str)
sharedPainter(self) → QPainter
show()

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

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

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

showMinimized(self)
showNormal(self)
signalsBlocked(self) → bool
size(self) → QSize
sizeHint(self) → QSize
sizeIncrement(self) → QSize
sizePolicy(self) → QSizePolicy
stackUnder(self, QWidget)
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
statusTip(self) → str
style(self) → QStyle
styleSheet(self) → str
tabletEvent(self, QTabletEvent)
testAttribute(self, Qt.WidgetAttribute) → bool
thread(self) → QThread
timerEvent(self, QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(self, str, disambiguation: str = None, n: int = - 1) → str
underMouse(self) → bool
ungrabGesture(self, Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)
update(self, QRect) → None
update(self, QRegion) → None
RMSDDialog.update(self, int, int, int, int) -> None
updateGeometry(self)
updateMicroFocus(self)
updatesEnabled(self) → bool
visibleRegion(self) → QRegion
warning(*args, **kwargs)

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

whatsThis(self) → str
wheelEvent(self, QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → PyQt5.sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowFlags
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, str) [signal]

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

windowTitleChanged(self, str) [signal]

windowType(self) → Qt.WindowType
x(self) → int
y(self) → int