schrodinger.application.jaguar.gui.tabs.scan_tab module¶
-
class
schrodinger.application.jaguar.gui.tabs.scan_tab.
ScanCoordinateColumns
¶ Bases:
object
Constants for the full (i.e. hidden as well) table columns
-
NAMES
= ('Atom Indices', 'Coordinate', 'Type', 'Steps', 'Current Value', 'Starting Value', 'Final Value', 'Increment')¶
-
NUM_COLS
= 8¶
-
INDICES
= 0¶
-
COORD_NAME
= 1¶
-
COORD_TYPE
= 2¶
-
STEPS
= 3¶
-
CURRENT_VAL
= 4¶
-
START_VAL
= 5¶
-
FINAL_VAL
= 6¶
-
INCREMENT
= 7¶
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
-
class
schrodinger.application.jaguar.gui.tabs.scan_tab.
ScanTab
(parent, input_selector=None)¶ Bases:
schrodinger.application.jaguar.gui.tabs.coordinates.CoordinateTab
-
NAME
= 'Scan'¶
-
HELP_TOPIC
= 'JAGUAR_TOPIC_SCAN_FOLDER'¶
-
UI_MODULES
= (<module 'schrodinger.application.jaguar.gui.ui.scan_tab_ui' from '/scr/buildbot/savedbuilds/2020-2/NB/build-063/internal/lib/python3.6/site-packages/schrodinger/application/jaguar/gui/ui/scan_tab_ui.py'>,)¶
-
COLUMN
= <schrodinger.application.jaguar.gui.tabs.scan_tab.ScanCoordinateColumns object>¶
-
MAX_ROW_COUNT
= 5¶
-
setup
()¶ Perform tab specific initialization. This function should be defined in subclasses if initialization is needed.
-
getMmJagKeywords
()¶ This function returns dictionary of mmjag keywords for this tab. Since this tab does not set any keywords it returns an empty dictionary.
Returns: mmjag keywords dictionary Return type: dict
-
loadSettings
(jag_input)¶ Restore scan coordinates settings from Jaguar handle.
Parameters: jag_input ( schrodinger.application.jaguar.input.JaguarInput
) – The Jaguar settings to base the tab settings on
-
saveSettings
(jag_input, eid=None)¶ Save scan coordinate settings in jaguar handle.
See parent class for argumnet documentation
-
updateMapperWidgets
(selected, deselected)¶ This slot is called when selection in coordinates table is changed.
Parameters: - selected (
QtCore.QItemSelection
) – selected indices - deselected (
QtCore.QItemSelection
) – deselected indices
- selected (
-
enableSelectedCoordinates
(enable)¶ This function is called to enable/disable widgets in ‘selected coordinate’ box. When enable argument is False we also clear text in all widgets.
Parameters: enable (bool) – True/False to enable/disable widgets
-
deleteCurrentRow
()¶ This function is called to delete row which is currently selected from the coordinates table.
-
deleteAllRows
()¶ This function is called to delete all rows from the coordinates table.
-
addCoordinate
(st, atoms, coordinate_type, start_value=None, final_value=None, increment=None)¶ Add new coordinate row.
Parameters: - st (
schrodinger.structure.Structure
) – structure - atoms (list) – atom indices
- coordinate_type (int) – coordinate type
- start_value (float) – starting coordinate value
- final_value (float) – final coordinate value
- increment (float) – increment value
- st (
-
updateTotalStructures
()¶ Calculate total number of structures to be calculated and update the label.
-
pickCompleted
(atoms)¶ This slot is called when required number of atoms for the current coordinate type has been picked.
Parameters: atoms (list) – list of atom indices
-
DrawChildren
= 2¶
-
DrawWindowBackground
= 1¶
-
IgnoreMask
= 4¶
-
class
PaintDeviceMetric
¶ Bases:
int
-
__init__
= <method-wrapper '__init__' of sip.enumtype object at 0x38bcf78>¶
-
-
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
-
__init__
= <method-wrapper '__init__' of sip.enumtype object at 0x1f70ab8>¶
-
-
class
RenderFlags
¶ Bases:
sip.simplewrapper
QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
-
__init__
(parent, input_selector=None)¶ Perform common tab initialization. All tab specific initialization should go in setup().
Parameters: - parent (PyQt5.QtWidgets.QWidget) – The Qt parent widget
- input_selector (schrodinger.ui.qt.input_selector.InputSelector) – The panel’s input selector widget, if available.
-
acceptDrops
(self) → bool¶
-
accessibleDescription
(self) → str¶
-
accessibleName
(self) → str¶
-
actionEvent
(self, QActionEvent)¶
-
actions
(self) → List[QAction]¶
-
activate
()¶ This function will be called whenever the user selects this tab. Subclasses can override it if necessary to, e.g., activate picking.
-
activateWindow
(self)¶
-
addAction
(self, QAction)¶
-
addActions
(self, Iterable[QAction])¶
-
adjustSize
(self)¶
-
allCoordinatesDeleted
¶
-
autoFillBackground
(self) → bool¶
-
backgroundRole
(self) → QPalette.ColorRole¶
-
baseSize
(self) → QSize¶
-
blockSignals
(self, bool) → bool¶
-
changeEvent
(self, QEvent)¶
-
childAt
(self, QPoint) → QWidget¶ 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¶
-
coordinateAdded
¶
-
coordinateDeleted
¶
-
coordinateDeselected
¶
-
coordinateSelected
¶
-
create
(self, window: 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)¶
-
deactivate
()¶ This function will be called whenever the user selects a different tab. Subclasses can override it if necessary to, e.g., deactivate picking.
-
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
(self)¶
-
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) → sip.voidptr¶
-
ensurePolished
(self)¶
-
enterEvent
(self, QEvent)¶
-
error
(msg)¶ Display an error dialog with the specified message
Parameters: msg (str) – The message to include in the error dialog
-
event
(self, QEvent) → bool¶
-
eventFilter
(self, QObject, QEvent) → bool¶
-
find
(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¶
-
frameGeometry
(self) → QRect¶
-
frameSize
(self) → QSize¶
-
geometry
(self) → QRect¶
-
getContentsMargins
(self) → Tuple[int, int, int, int]¶
-
getDefaultKeywords
()¶ Get the default keywords for this tab. Note that defaults that exist in mmjag should not be explicitly set here.
-
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])
-
grabShortcut
(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int¶
-
graphicsEffect
(self) → QGraphicsEffect¶
-
graphicsProxyWidget
(self) → QGraphicsProxyWidget¶
-
hasFocus
(self) → bool¶
-
hasHeightForWidth
(self) → bool¶
-
hasMouseTracking
(self) → bool¶
-
hasTabletTracking
(self) → bool¶
-
height
(self) → int¶
-
heightForWidth
(self, int) → int¶
-
heightMM
(self) → int¶
-
hide
(self)¶
-
hideEvent
(self, QHideEvent)¶
-
inherits
(self, str) → bool¶
-
initPainter
(self, QPainter)¶
-
inputMethodEvent
(self, QInputMethodEvent)¶
-
inputMethodHints
(self) → Qt.InputMethodHints¶
-
inputMethodQuery
(self, Qt.InputMethodQuery) → Any¶
-
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)¶
-
loadPerAtomSettings
(jag_input, eid=None, title=None)¶ Restore per-atom tab settings from mmjag keywords. This function should be defined in subclasses for any tabs that contain per-atom settings.
Parameters: - jag_input (schrodinger.application.jaguar.input.JaguarInput) – The Jaguar settings to base the tab settings on
- eid (str) – The entry id of the structure in
jag_input
- title (str) – The title of the structure in
jag_input
-
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)¶ move(self, int, int)
-
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.
-
raise_
(self)¶
-
receivers
(self, PYQT_SIGNAL) → int¶
-
rect
(self) → QRect¶
-
refreshMarkers
¶
-
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.DrawWindowBackground|QWidget.DrawChildren))¶ render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))
-
repaint
(self)¶ repaint(self, int, int, int, int) repaint(self, QRect) repaint(self, QRegion)
-
reset
()¶ Reset the tab to its original state. Note that this function is only necessary for settings that are not stored in the mmjag handle. For mmjag settings, reset will be carried out using
loadSettings
with a defaultschrodinger.application.jaguar.input.JaguarInput
object. This function should only be defined in subclasses if there are any settings that cannot be reset vialoadSettings
.
-
resize
(self, QSize)¶ resize(self, int, int)
-
resizeEvent
(self, QResizeEvent)¶
-
restoreGeometry
(self, Union[QByteArray, bytes, bytearray]) → bool¶
-
saveGeometry
(self) → QByteArray¶
-
scroll
(self, int, int)¶ scroll(self, int, int, QRect)
-
sender
(self) → QObject¶
-
senderSignalIndex
(self) → int¶
-
setAcceptDrops
(self, bool)¶
-
setAcceptableContraintEids
(eids, picking_err)¶ Set the constraint picking restrictions
Parameters: - eids (set) – The entry ids for which coordinate picking is acceptable.
- picking_err (str or NoneType) – If picking should not be allowed at all, this is the text of the error that will displayed to the user. If picking is allowed, should be None.
-
setAccessibleDescription
(self, str)¶
-
setAccessibleName
(self, str)¶
-
setAttribute
(self, Qt.WidgetAttribute, on: bool = True)¶
-
setAutoFillBackground
(self, bool)¶
-
setBackgroundRole
(self, QPalette.ColorRole)¶
-
setBaseSize
(self, int, int)¶ setBaseSize(self, QSize)
-
setContentsMargins
(self, int, int, int, int)¶ setContentsMargins(self, QMargins)
-
setContextMenuPolicy
(self, Qt.ContextMenuPolicy)¶
-
setCursor
(self, Union[QCursor, Qt.CursorShape])¶
-
setDisabled
(self, bool)¶
-
setEnabled
(self, bool)¶
-
setFixedHeight
(self, int)¶
-
setFixedSize
(self, QSize)¶ setFixedSize(self, int, int)
-
setFixedWidth
(self, int)¶
-
setFocus
(self)¶ setFocus(self, Qt.FocusReason)
-
setFocusPolicy
(self, Qt.FocusPolicy)¶
-
setFocusProxy
(self, QWidget)¶
-
setFont
(self, QFont)¶
-
setForegroundRole
(self, QPalette.ColorRole)¶
-
setGeometry
(self, QRect)¶ setGeometry(self, int, int, int, int)
-
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)
-
setMaximumHeight
(self, int)¶
-
setMaximumSize
(self, int, int)¶ setMaximumSize(self, QSize)
-
setMaximumWidth
(self, int)¶
-
setMinimumHeight
(self, int)¶
-
setMinimumSize
(self, int, int)¶ setMinimumSize(self, QSize)
-
setMinimumWidth
(self, int)¶
-
setMouseTracking
(self, bool)¶
-
setObjectName
(self, str)¶
-
setPalette
(self, QPalette)¶
-
setParent
(self, QWidget)¶ setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType])
-
setProperty
(self, str, Any) → bool¶
-
setShortcutAutoRepeat
(self, int, enabled: bool = True)¶
-
setShortcutEnabled
(self, int, enabled: bool = True)¶
-
setSizeIncrement
(self, int, int)¶ setSizeIncrement(self, QSize)
-
setSizePolicy
(self, QSizePolicy)¶ setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy)
-
setStatusTip
(self, str)¶
-
setStyle
(self, QStyle)¶
-
setStyleSheet
(self, str)¶
-
setTabOrder
(QWidget, QWidget)¶
-
setTabletTracking
(self, bool)¶
-
setToolTip
(self, str)¶
-
setToolTipDuration
(self, int)¶
-
setUpdatesEnabled
(self, bool)¶
-
setVisible
(self, bool)¶
-
setWhatsThis
(self, str)¶
-
setWindowFilePath
(self, str)¶
-
setWindowFlag
(self, Qt.WindowType, on: bool = True)¶
-
setWindowFlags
(self, 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)¶
-
show
(self)¶
-
showEvent
(self, QShowEvent)¶
-
showFullScreen
(self)¶
-
showMaximized
(self)¶
-
showMinimized
(self)¶
-
showNormal
(self)¶
-
signalsBlocked
(self) → bool¶
-
size
(self) → QSize¶
-
sizeHint
(self) → QSize¶
-
sizeIncrement
(self) → QSize¶
-
sizePolicy
(self) → QSizePolicy¶
-
stackUnder
(self, QWidget)¶
-
startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
statusTip
(self) → str¶
-
stopPicking
()¶ Stop constraint picking
-
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) update(self, QRegion) update(self, int, int, int, int)
-
updateGeometry
(self)¶
-
updateMicroFocus
(self)¶
-
updatesEnabled
(self) → bool¶
-
validate
()¶ Make sure that the tab settings will allow a job to be run successfully. Note that this validation should not be redundant with that performed in
getMmJagKeywords
. Any tab setting that prevents valid mmjag keywords from being generated should causegetMmJagKeywords
to raise a JaguarSettingError. Any tab setting that allows mmjag keywords to be successfully generated but will result in a job failure should cause avalidate
fail. This function should be defined in subclasses if validation is needed.Returns: If the validation passes, None is returned. If the validation fails, a string that describes the error is returned. Return type: str or NoneType
-
visibleRegion
(self) → QRegion¶
-
warning
(msg)¶ Display a warning dialog with the specified message
Parameters: msg (str) – The message to include in the warning dialog
-
whatsThis
(self) → str¶
-
wheelEvent
(self, QWheelEvent)¶
-
width
(self) → int¶
-
widthMM
(self) → int¶
-
winId
(self) → 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.application.jaguar.gui.tabs.scan_tab.
ScanTabNextGeom
(parent, input_selector=None)¶ Bases:
schrodinger.application.jaguar.gui.tabs.scan_tab.ScanTab
A scan tab that allows the user to configure how the determine the next initial geometry
-
UI_MODULES
= (<module 'schrodinger.application.jaguar.gui.ui.scan_tab_ui' from '/scr/buildbot/savedbuilds/2020-2/NB/build-063/internal/lib/python3.6/site-packages/schrodinger/application/jaguar/gui/ui/scan_tab_ui.py'>, <module 'schrodinger.application.jaguar.gui.ui.scan_tab_nextgeom_ui' from '/scr/buildbot/savedbuilds/2020-2/NB/build-063/internal/lib/python3.6/site-packages/schrodinger/application/jaguar/gui/ui/scan_tab_nextgeom_ui.py'>)¶
-
setup
()¶ Perform tab specific initialization. This function should be defined in subclasses if initialization is needed.
-
reset
()¶ Reset the tab to its original state. Note that this function is only necessary for settings that are not stored in the mmjag handle. For mmjag settings, reset will be carried out using
loadSettings
with a defaultschrodinger.application.jaguar.input.JaguarInput
object. This function should only be defined in subclasses if there are any settings that cannot be reset vialoadSettings
.
-
nextGeom
()¶ Return the setting for the next initial geometry
Returns: The next initial geometry settings Return type: NextGeomFrom
-
COLUMN
= <schrodinger.application.jaguar.gui.tabs.scan_tab.ScanCoordinateColumns object>¶
-
DrawChildren
= 2¶
-
DrawWindowBackground
= 1¶
-
HELP_TOPIC
= 'JAGUAR_TOPIC_SCAN_FOLDER'¶
-
IgnoreMask
= 4¶
-
MAX_ROW_COUNT
= 5¶
-
NAME
= 'Scan'¶
-
class
PaintDeviceMetric
¶ Bases:
int
-
__init__
= <method-wrapper '__init__' of sip.enumtype object at 0x38bcf78>¶
-
-
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
-
__init__
= <method-wrapper '__init__' of sip.enumtype object at 0x1f70ab8>¶
-
-
class
RenderFlags
¶ Bases:
sip.simplewrapper
QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
-
__init__
(parent, input_selector=None)¶ Perform common tab initialization. All tab specific initialization should go in setup().
Parameters: - parent (PyQt5.QtWidgets.QWidget) – The Qt parent widget
- input_selector (schrodinger.ui.qt.input_selector.InputSelector) – The panel’s input selector widget, if available.
-
acceptDrops
(self) → bool¶
-
accessibleDescription
(self) → str¶
-
accessibleName
(self) → str¶
-
actionEvent
(self, QActionEvent)¶
-
actions
(self) → List[QAction]¶
-
activate
()¶ This function will be called whenever the user selects this tab. Subclasses can override it if necessary to, e.g., activate picking.
-
activateWindow
(self)¶
-
addAction
(self, QAction)¶
-
addActions
(self, Iterable[QAction])¶
-
addCoordinate
(st, atoms, coordinate_type, start_value=None, final_value=None, increment=None)¶ Add new coordinate row.
Parameters: - st (
schrodinger.structure.Structure
) – structure - atoms (list) – atom indices
- coordinate_type (int) – coordinate type
- start_value (float) – starting coordinate value
- final_value (float) – final coordinate value
- increment (float) – increment value
- st (
-
adjustSize
(self)¶
-
allCoordinatesDeleted
¶
-
autoFillBackground
(self) → bool¶
-
backgroundRole
(self) → QPalette.ColorRole¶
-
baseSize
(self) → QSize¶
-
blockSignals
(self, bool) → bool¶
-
changeEvent
(self, QEvent)¶
-
childAt
(self, QPoint) → QWidget¶ 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¶
-
coordinateAdded
¶
-
coordinateDeleted
¶
-
coordinateDeselected
¶
-
coordinateSelected
¶
-
create
(self, window: 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)¶
-
deactivate
()¶ This function will be called whenever the user selects a different tab. Subclasses can override it if necessary to, e.g., deactivate picking.
-
deleteAllRows
()¶ This function is called to delete all rows from the coordinates table.
-
deleteCurrentRow
()¶ This function is called to delete row which is currently selected from the coordinates table.
-
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
(self)¶
-
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) → sip.voidptr¶
-
enableSelectedCoordinates
(enable)¶ This function is called to enable/disable widgets in ‘selected coordinate’ box. When enable argument is False we also clear text in all widgets.
Parameters: enable (bool) – True/False to enable/disable widgets
-
ensurePolished
(self)¶
-
enterEvent
(self, QEvent)¶
-
error
(msg)¶ Display an error dialog with the specified message
Parameters: msg (str) – The message to include in the error dialog
-
event
(self, QEvent) → bool¶
-
eventFilter
(self, QObject, QEvent) → bool¶
-
find
(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¶
-
frameGeometry
(self) → QRect¶
-
frameSize
(self) → QSize¶
-
geometry
(self) → QRect¶
-
getContentsMargins
(self) → Tuple[int, int, int, int]¶
-
getDefaultKeywords
()¶ Get the default keywords for this tab. Note that defaults that exist in mmjag should not be explicitly set here.
-
getMmJagKeywords
()¶ This function returns dictionary of mmjag keywords for this tab. Since this tab does not set any keywords it returns an empty dictionary.
Returns: mmjag keywords dictionary Return type: dict
-
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])
-
grabShortcut
(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int¶
-
graphicsEffect
(self) → QGraphicsEffect¶
-
graphicsProxyWidget
(self) → QGraphicsProxyWidget¶
-
hasFocus
(self) → bool¶
-
hasHeightForWidth
(self) → bool¶
-
hasMouseTracking
(self) → bool¶
-
hasTabletTracking
(self) → bool¶
-
height
(self) → int¶
-
heightForWidth
(self, int) → int¶
-
heightMM
(self) → int¶
-
hide
(self)¶
-
hideEvent
(self, QHideEvent)¶
-
inherits
(self, str) → bool¶
-
initPainter
(self, QPainter)¶
-
inputMethodEvent
(self, QInputMethodEvent)¶
-
inputMethodHints
(self) → Qt.InputMethodHints¶
-
inputMethodQuery
(self, Qt.InputMethodQuery) → Any¶
-
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)¶
-
loadPerAtomSettings
(jag_input, eid=None, title=None)¶ Restore per-atom tab settings from mmjag keywords. This function should be defined in subclasses for any tabs that contain per-atom settings.
Parameters: - jag_input (schrodinger.application.jaguar.input.JaguarInput) – The Jaguar settings to base the tab settings on
- eid (str) – The entry id of the structure in
jag_input
- title (str) – The title of the structure in
jag_input
-
loadSettings
(jag_input)¶ Restore scan coordinates settings from Jaguar handle.
Parameters: jag_input ( schrodinger.application.jaguar.input.JaguarInput
) – The Jaguar settings to base the tab settings on
-
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)¶ move(self, int, int)
-
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¶
-
pickCompleted
(atoms)¶ This slot is called when required number of atoms for the current coordinate type has been picked.
Parameters: atoms (list) – list of atom indices
-
pos
(self) → QPoint¶
-
previousInFocusChain
(self) → QWidget¶
-
property
(self, str) → Any¶
-
pyqtConfigure
(...)¶ Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.
-
raise_
(self)¶
-
receivers
(self, PYQT_SIGNAL) → int¶
-
rect
(self) → QRect¶
-
refreshMarkers
¶
-
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.DrawWindowBackground|QWidget.DrawChildren))¶ render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))
-
repaint
(self)¶ repaint(self, int, int, int, int) repaint(self, QRect) repaint(self, QRegion)
-
resize
(self, QSize)¶ resize(self, int, int)
-
resizeEvent
(self, QResizeEvent)¶
-
restoreGeometry
(self, Union[QByteArray, bytes, bytearray]) → bool¶
-
saveGeometry
(self) → QByteArray¶
-
saveSettings
(jag_input, eid=None)¶ Save scan coordinate settings in jaguar handle.
See parent class for argumnet documentation
-
scroll
(self, int, int)¶ scroll(self, int, int, QRect)
-
sender
(self) → QObject¶
-
senderSignalIndex
(self) → int¶
-
setAcceptDrops
(self, bool)¶
-
setAcceptableContraintEids
(eids, picking_err)¶ Set the constraint picking restrictions
Parameters: - eids (set) – The entry ids for which coordinate picking is acceptable.
- picking_err (str or NoneType) – If picking should not be allowed at all, this is the text of the error that will displayed to the user. If picking is allowed, should be None.
-
setAccessibleDescription
(self, str)¶
-
setAccessibleName
(self, str)¶
-
setAttribute
(self, Qt.WidgetAttribute, on: bool = True)¶
-
setAutoFillBackground
(self, bool)¶
-
setBackgroundRole
(self, QPalette.ColorRole)¶
-
setBaseSize
(self, int, int)¶ setBaseSize(self, QSize)
-
setContentsMargins
(self, int, int, int, int)¶ setContentsMargins(self, QMargins)
-
setContextMenuPolicy
(self, Qt.ContextMenuPolicy)¶
-
setCursor
(self, Union[QCursor, Qt.CursorShape])¶
-
setDisabled
(self, bool)¶
-
setEnabled
(self, bool)¶
-
setFixedHeight
(self, int)¶
-
setFixedSize
(self, QSize)¶ setFixedSize(self, int, int)
-
setFixedWidth
(self, int)¶
-
setFocus
(self)¶ setFocus(self, Qt.FocusReason)
-
setFocusPolicy
(self, Qt.FocusPolicy)¶
-
setFocusProxy
(self, QWidget)¶
-
setFont
(self, QFont)¶
-
setForegroundRole
(self, QPalette.ColorRole)¶
-
setGeometry
(self, QRect)¶ setGeometry(self, int, int, int, int)
-
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)
-
setMaximumHeight
(self, int)¶
-
setMaximumSize
(self, int, int)¶ setMaximumSize(self, QSize)
-
setMaximumWidth
(self, int)¶
-
setMinimumHeight
(self, int)¶
-
setMinimumSize
(self, int, int)¶ setMinimumSize(self, QSize)
-
setMinimumWidth
(self, int)¶
-
setMouseTracking
(self, bool)¶
-
setObjectName
(self, str)¶
-
setPalette
(self, QPalette)¶
-
setParent
(self, QWidget)¶ setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType])
-
setProperty
(self, str, Any) → bool¶
-
setShortcutAutoRepeat
(self, int, enabled: bool = True)¶
-
setShortcutEnabled
(self, int, enabled: bool = True)¶
-
setSizeIncrement
(self, int, int)¶ setSizeIncrement(self, QSize)
-
setSizePolicy
(self, QSizePolicy)¶ setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy)
-
setStatusTip
(self, str)¶
-
setStyle
(self, QStyle)¶
-
setStyleSheet
(self, str)¶
-
setTabOrder
(QWidget, QWidget)¶
-
setTabletTracking
(self, bool)¶
-
setToolTip
(self, str)¶
-
setToolTipDuration
(self, int)¶
-
setUpdatesEnabled
(self, bool)¶
-
setVisible
(self, bool)¶
-
setWhatsThis
(self, str)¶
-
setWindowFilePath
(self, str)¶
-
setWindowFlag
(self, Qt.WindowType, on: bool = True)¶
-
setWindowFlags
(self, 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)¶
-
show
(self)¶
-
showEvent
(self, QShowEvent)¶
-
showFullScreen
(self)¶
-
showMaximized
(self)¶
-
showMinimized
(self)¶
-
showNormal
(self)¶
-
signalsBlocked
(self) → bool¶
-
size
(self) → QSize¶
-
sizeHint
(self) → QSize¶
-
sizeIncrement
(self) → QSize¶
-
sizePolicy
(self) → QSizePolicy¶
-
stackUnder
(self, QWidget)¶
-
startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
statusTip
(self) → str¶
-
stopPicking
()¶ Stop constraint picking
-
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) update(self, QRegion) update(self, int, int, int, int)
-
updateGeometry
(self)¶
-
updateMapperWidgets
(selected, deselected)¶ This slot is called when selection in coordinates table is changed.
Parameters: - selected (
QtCore.QItemSelection
) – selected indices - deselected (
QtCore.QItemSelection
) – deselected indices
- selected (
-
updateMicroFocus
(self)¶
-
updateTotalStructures
()¶ Calculate total number of structures to be calculated and update the label.
-
updatesEnabled
(self) → bool¶
-
validate
()¶ Make sure that the tab settings will allow a job to be run successfully. Note that this validation should not be redundant with that performed in
getMmJagKeywords
. Any tab setting that prevents valid mmjag keywords from being generated should causegetMmJagKeywords
to raise a JaguarSettingError. Any tab setting that allows mmjag keywords to be successfully generated but will result in a job failure should cause avalidate
fail. This function should be defined in subclasses if validation is needed.Returns: If the validation passes, None is returned. If the validation fails, a string that describes the error is returned. Return type: str or NoneType
-
visibleRegion
(self) → QRegion¶
-
warning
(msg)¶ Display a warning dialog with the specified message
Parameters: msg (str) – The message to include in the warning dialog
-
whatsThis
(self) → str¶
-
wheelEvent
(self, QWheelEvent)¶
-
width
(self) → int¶
-
widthMM
(self) → int¶
-
winId
(self) → 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.application.jaguar.gui.tabs.scan_tab.
ScanCoordinateData
(st, atoms, coordinate_type, start_value=None, final_value=None, increment=None)¶ Bases:
schrodinger.application.jaguar.gui.tabs.coordinates.CoordinateData
This class stores all data for a single scan coordinate.
Variables: - COORDINATE_FUNCS (dict) – dictionary that maps coordinate type to mmct function uses to calculate coordinate value.
- st (
schrodinger.structure.Structure
) – ct structure for which coordinates are defined - atom_indices (list) – indices of atoms, which define this coordinate
- coordinate_name (str) – name of this coordinate based on atom indices
- coordinate_type (int) – coordinate type
- num_steps (int) – number of steps
- current_value (float) – current value of this coordinate
- start_value (float) – starting coordinate value
- final_value (float) – final coordinate value
- increment (float) – increment value
-
COORDINATE_FUNCS
= {0: <built-in function mmct_atom_get_x>, 1: <built-in function mmct_atom_get_y>, 2: <built-in function mmct_atom_get_z>, 4: <built-in function mmct_atom_get_distance>, 5: <built-in function mmct_atom_get_bond_angle>, 6: <built-in function mmct_atom_get_dihedral_angle>}¶
-
COORDINATE_DISTANCE_OFFSET
= 0.2¶
-
COORDINATE_DISTANCE_INCREMENT
= 0.1¶
-
COORDINATE_ANGLE_OFFSET
= 20.0¶
-
COORDINATE_ANGLE_INCREMENT
= 5.0¶
-
__init__
(st, atoms, coordinate_type, start_value=None, final_value=None, increment=None)¶ Initialize coordinates data given a structure, set of atom indices and coordinate type.
Parameters: - st (
schrodinger.structure.Structure
) – structure - atoms (list) – atom indices
- coordinate_type (int) – coordinate type
- start_value (float) – starting coordinate value
- final_value (float) – final coordinate value
- increment (float) – increment value
- st (
-
validate
()¶ This function checks that atom indices contain correct number of elements for a given coordinate type. If thats not the case ValueError exception is raised.
-
class
schrodinger.application.jaguar.gui.tabs.scan_tab.
ScanCoordinatesDelegate
¶ Bases:
PyQt5.QtWidgets.QItemDelegate
This delegate is used to define how float coordinate values are displayed in a line edit widget. This class is needed for mapping between table view and other widgets as defined via QDataWidgetMapper.
-
COLUMN
= <schrodinger.application.jaguar.gui.tabs.scan_tab.ScanCoordinateColumns object>¶
-
setEditorData
(editor, index)¶ This function is used to initialize editor with the relevant data.
Parameters: - editor (
QtWidgets.QWidget
) – editor - index (
QtCore.QModelIndex
) – index of data in source model
- editor (
-
setModelData
(editor, model, index)¶ This function is responsible for transferring data from the editors back to the model. So, here we convert text string into float number.
Parameters: - editor (
QtWidgets.QWidget
) – editor - model (
QtCore.QAbstractItemModel
) – data model - index (
QtCore.QModelIndex
) – index of data in source model
- editor (
-
EditNextItem
= 1¶
-
EditPreviousItem
= 2¶
-
class
EndEditHint
¶ Bases:
int
-
__init__
= <method-wrapper '__init__' of sip.enumtype object at 0x5e08cd8>¶
-
-
NoHint
= 0¶
-
RevertModelCache
= 4¶
-
SubmitModelCache
= 3¶
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
blockSignals
(self, bool) → bool¶
-
childEvent
(self, QChildEvent)¶
-
children
(self) → List[QObject]¶
-
closeEditor
¶ closeEditor(self, QWidget, hint: QAbstractItemDelegate.EndEditHint = QAbstractItemDelegate.NoHint) [signal]
-
commitData
¶ commitData(self, QWidget) [signal]
-
connectNotify
(self, QMetaMethod)¶
-
createEditor
(self, QWidget, QStyleOptionViewItem, QModelIndex) → QWidget¶
-
customEvent
(self, QEvent)¶
-
deleteLater
(self)¶
-
destroyEditor
(self, QWidget, QModelIndex)¶
-
destroyed
¶ destroyed(self, object: QObject = None) [signal]
-
disconnect
(self)¶
-
disconnectNotify
(self, QMetaMethod)¶
-
drawBackground
(self, QPainter, QStyleOptionViewItem, QModelIndex)¶
-
drawCheck
(self, QPainter, QStyleOptionViewItem, QRect, Qt.CheckState)¶
-
drawDecoration
(self, QPainter, QStyleOptionViewItem, QRect, QPixmap)¶
-
drawDisplay
(self, QPainter, QStyleOptionViewItem, QRect, str)¶
-
drawFocus
(self, QPainter, QStyleOptionViewItem, QRect)¶
-
dumpObjectInfo
(self)¶
-
dumpObjectTree
(self)¶
-
dynamicPropertyNames
(self) → List[QByteArray]¶
-
editorEvent
(self, QEvent, QAbstractItemModel, QStyleOptionViewItem, QModelIndex) → bool¶
-
event
(self, QEvent) → bool¶
-
eventFilter
(self, QObject, QEvent) → bool¶
-
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]
-
hasClipping
(self) → bool¶
-
helpEvent
(self, QHelpEvent, QAbstractItemView, QStyleOptionViewItem, QModelIndex) → bool¶
-
inherits
(self, str) → bool¶
-
installEventFilter
(self, QObject)¶
-
isSignalConnected
(self, QMetaMethod) → bool¶
-
isWidgetType
(self) → bool¶
-
isWindowType
(self) → bool¶
-
itemEditorFactory
(self) → QItemEditorFactory¶
-
killTimer
(self, int)¶
-
metaObject
(self) → QMetaObject¶
-
moveToThread
(self, QThread)¶
-
objectName
(self) → str¶
-
objectNameChanged
¶ objectNameChanged(self, str) [signal]
-
paint
(self, QPainter, QStyleOptionViewItem, QModelIndex)¶
-
parent
(self) → QObject¶
-
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.
-
receivers
(self, PYQT_SIGNAL) → int¶
-
removeEventFilter
(self, QObject)¶
-
sender
(self) → QObject¶
-
senderSignalIndex
(self) → int¶
-
setClipping
(self, bool)¶
-
setItemEditorFactory
(self, QItemEditorFactory)¶
-
setObjectName
(self, str)¶
-
setParent
(self, QObject)¶
-
setProperty
(self, str, Any) → bool¶
-
signalsBlocked
(self) → bool¶
-
sizeHint
(self, QStyleOptionViewItem, QModelIndex) → QSize¶
-
sizeHintChanged
¶ sizeHintChanged(self, QModelIndex) [signal]
-
startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
thread
(self) → QThread¶
-
timerEvent
(self, QTimerEvent)¶
-
tr
(self, str, disambiguation: str = None, n: int = -1) → str¶
-
updateEditorGeometry
(self, QWidget, QStyleOptionViewItem, QModelIndex)¶
-
-
class
schrodinger.application.jaguar.gui.tabs.scan_tab.
ScanCoordinatesProxyModel
(parent)¶ Bases:
PyQt5.QtCore.QSortFilterProxyModel
A proxy model that allows to hide columns.
-
COLUMN
= <schrodinger.application.jaguar.gui.tabs.scan_tab.ScanCoordinateColumns object>¶
-
__init__
(parent)¶ Initialize self. See help(type(self)) for accurate signature.
-
filterAcceptsColumn
(column, index)¶ Modified from the parent class to define columns that should be visible.
Parameters: - column (int) – the column index
- index (
QModelIndex
) – Unused, but kept for PyQt compatibility
-
class
CheckIndexOption
¶ Bases:
enum.IntEnum
An enumeration.
-
DoNotUseParent
= 2¶
-
IndexIsValid
= 1¶
-
NoOption
= 0¶
-
ParentIsInvalid
= 4¶
-
-
class
CheckIndexOptions
¶ Bases:
sip.simplewrapper
QAbstractItemModel.CheckIndexOptions(Union[QAbstractItemModel.CheckIndexOptions, QAbstractItemModel.CheckIndexOption]) QAbstractItemModel.CheckIndexOptions(QAbstractItemModel.CheckIndexOptions)
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
-
HorizontalSortHint
= 2¶
-
class
LayoutChangeHint
¶ Bases:
int
-
__init__
= <method-wrapper '__init__' of sip.enumtype object at 0x38e5118>¶
-
-
NoLayoutChangeHint
= 0¶
-
VerticalSortHint
= 1¶
-
beginInsertColumns
(self, QModelIndex, int, int)¶
-
beginInsertRows
(self, QModelIndex, int, int)¶
-
beginMoveColumns
(self, QModelIndex, int, int, QModelIndex, int) → bool¶
-
beginMoveRows
(self, QModelIndex, int, int, QModelIndex, int) → bool¶
-
beginRemoveColumns
(self, QModelIndex, int, int)¶
-
beginRemoveRows
(self, QModelIndex, int, int)¶
-
beginResetModel
(self)¶
-
blockSignals
(self, bool) → bool¶
-
buddy
(self, QModelIndex) → QModelIndex¶
-
canDropMimeData
(self, QMimeData, Qt.DropAction, int, int, QModelIndex) → bool¶
-
canFetchMore
(self, QModelIndex) → bool¶
-
changePersistentIndex
(self, QModelIndex, QModelIndex)¶
-
changePersistentIndexList
(self, Iterable[QModelIndex], Iterable[QModelIndex])¶
-
checkIndex
(self, QModelIndex, options: Union[QAbstractItemModel.CheckIndexOptions, QAbstractItemModel.CheckIndexOption] = QAbstractItemModel.CheckIndexOption.NoOption) → bool¶
-
childEvent
(self, QChildEvent)¶
-
children
(self) → List[QObject]¶
-
columnCount
(self, parent: QModelIndex = QModelIndex()) → int¶
-
columnsAboutToBeInserted
¶ columnsAboutToBeInserted(self, QModelIndex, int, int) [signal]
-
columnsAboutToBeMoved
¶ columnsAboutToBeMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]
-
columnsAboutToBeRemoved
¶ columnsAboutToBeRemoved(self, QModelIndex, int, int) [signal]
-
columnsInserted
¶ columnsInserted(self, QModelIndex, int, int) [signal]
-
columnsMoved
¶ columnsMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]
-
columnsRemoved
¶ columnsRemoved(self, QModelIndex, int, int) [signal]
-
connectNotify
(self, QMetaMethod)¶
-
createIndex
(self, int, int, object: object = 0) → QModelIndex¶
-
customEvent
(self, QEvent)¶
-
data
(self, QModelIndex, role: int = Qt.DisplayRole) → Any¶
-
dataChanged
¶ dataChanged(self, QModelIndex, QModelIndex, roles: Iterable[int] = []) [signal]
-
decodeData
(self, int, int, QModelIndex, QDataStream) → bool¶
-
deleteLater
(self)¶
-
destroyed
¶ destroyed(self, object: QObject = None) [signal]
-
disconnect
(self)¶
-
disconnectNotify
(self, QMetaMethod)¶
-
dropMimeData
(self, QMimeData, Qt.DropAction, int, int, QModelIndex) → bool¶
-
dumpObjectInfo
(self)¶
-
dumpObjectTree
(self)¶
-
dynamicPropertyNames
(self) → List[QByteArray]¶
-
dynamicSortFilter
(self) → bool¶
-
encodeData
(self, Iterable[QModelIndex], QDataStream)¶
-
endInsertColumns
(self)¶
-
endInsertRows
(self)¶
-
endMoveColumns
(self)¶
-
endMoveRows
(self)¶
-
endRemoveColumns
(self)¶
-
endRemoveRows
(self)¶
-
endResetModel
(self)¶
-
event
(self, QEvent) → bool¶
-
eventFilter
(self, QObject, QEvent) → bool¶
-
fetchMore
(self, QModelIndex)¶
-
filterAcceptsRow
(self, int, QModelIndex) → bool¶
-
filterCaseSensitivity
(self) → Qt.CaseSensitivity¶
-
filterKeyColumn
(self) → int¶
-
filterRegExp
(self) → QRegExp¶
-
filterRegularExpression
(self) → QRegularExpression¶
-
filterRole
(self) → int¶
-
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]
-
flags
(self, QModelIndex) → Qt.ItemFlags¶
-
hasChildren
(self, parent: QModelIndex = QModelIndex()) → bool¶
-
hasIndex
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
headerData
(self, int, Qt.Orientation, role: int = Qt.DisplayRole) → Any¶
-
headerDataChanged
¶ headerDataChanged(self, Qt.Orientation, int, int) [signal]
-
index
(self, int, int, parent: QModelIndex = QModelIndex()) → QModelIndex¶
-
inherits
(self, str) → bool¶
-
insertColumn
(self, int, parent: QModelIndex = QModelIndex()) → bool¶
-
insertColumns
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
insertRow
(self, int, parent: QModelIndex = QModelIndex()) → bool¶
-
insertRows
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
installEventFilter
(self, QObject)¶
-
invalidate
(self)¶
-
invalidateFilter
(self)¶
-
isRecursiveFilteringEnabled
(self) → bool¶
-
isSignalConnected
(self, QMetaMethod) → bool¶
-
isSortLocaleAware
(self) → bool¶
-
isWidgetType
(self) → bool¶
-
isWindowType
(self) → bool¶
-
itemData
(self, QModelIndex) → Dict[int, Any]¶
-
killTimer
(self, int)¶
-
layoutAboutToBeChanged
¶ layoutAboutToBeChanged(self, parents: Iterable[QPersistentModelIndex] = [], hint: QAbstractItemModel.LayoutChangeHint = QAbstractItemModel.NoLayoutChangeHint) [signal]
-
layoutChanged
¶ layoutChanged(self, parents: Iterable[QPersistentModelIndex] = [], hint: QAbstractItemModel.LayoutChangeHint = QAbstractItemModel.NoLayoutChangeHint) [signal]
-
lessThan
(self, QModelIndex, QModelIndex) → bool¶
-
mapFromSource
(self, QModelIndex) → QModelIndex¶
-
mapSelectionFromSource
(self, QItemSelection) → QItemSelection¶
-
mapSelectionToSource
(self, QItemSelection) → QItemSelection¶
-
mapToSource
(self, QModelIndex) → QModelIndex¶
-
match
(self, QModelIndex, int, Any, hits: int = 1, flags: Union[Qt.MatchFlags, Qt.MatchFlag] = Qt.MatchStartsWith|Qt.MatchWrap) → List[QModelIndex]¶
-
metaObject
(self) → QMetaObject¶
-
mimeData
(self, Iterable[QModelIndex]) → QMimeData¶
-
mimeTypes
(self) → List[str]¶
-
modelAboutToBeReset
¶ modelAboutToBeReset(self) [signal]
-
modelReset
¶ modelReset(self) [signal]
-
moveColumn
(self, QModelIndex, int, QModelIndex, int) → bool¶
-
moveColumns
(self, QModelIndex, int, int, QModelIndex, int) → bool¶
-
moveRow
(self, QModelIndex, int, QModelIndex, int) → bool¶
-
moveRows
(self, QModelIndex, int, int, QModelIndex, int) → bool¶
-
moveToThread
(self, QThread)¶
-
objectName
(self) → str¶
-
objectNameChanged
¶ objectNameChanged(self, str) [signal]
-
parent
(self, QModelIndex) → QModelIndex¶ parent(self) -> QObject
-
persistentIndexList
(self) → List[QModelIndex]¶
-
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.
-
receivers
(self, PYQT_SIGNAL) → int¶
-
removeColumn
(self, int, parent: QModelIndex = QModelIndex()) → bool¶
-
removeColumns
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
removeEventFilter
(self, QObject)¶
-
removeRow
(self, int, parent: QModelIndex = QModelIndex()) → bool¶
-
removeRows
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
resetInternalData
(self)¶
-
revert
(self)¶
-
roleNames
(self) → Dict[int, QByteArray]¶
-
rowCount
(self, parent: QModelIndex = QModelIndex()) → int¶
-
rowsAboutToBeInserted
¶ rowsAboutToBeInserted(self, QModelIndex, int, int) [signal]
-
rowsAboutToBeMoved
¶ rowsAboutToBeMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]
-
rowsAboutToBeRemoved
¶ rowsAboutToBeRemoved(self, QModelIndex, int, int) [signal]
-
rowsInserted
¶ rowsInserted(self, QModelIndex, int, int) [signal]
-
rowsMoved
¶ rowsMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]
-
rowsRemoved
¶ rowsRemoved(self, QModelIndex, int, int) [signal]
-
sender
(self) → QObject¶
-
senderSignalIndex
(self) → int¶
-
setData
(self, QModelIndex, Any, role: int = Qt.EditRole) → bool¶
-
setDynamicSortFilter
(self, bool)¶
-
setFilterCaseSensitivity
(self, Qt.CaseSensitivity)¶
-
setFilterFixedString
(self, str)¶
-
setFilterKeyColumn
(self, int)¶
-
setFilterRegExp
(self, QRegExp)¶ setFilterRegExp(self, str)
-
setFilterRegularExpression
(self, QRegularExpression)¶ setFilterRegularExpression(self, str)
-
setFilterRole
(self, int)¶
-
setFilterWildcard
(self, str)¶
-
setHeaderData
(self, int, Qt.Orientation, Any, role: int = Qt.EditRole) → bool¶
-
setItemData
(self, QModelIndex, Dict[int, Any]) → bool¶
-
setObjectName
(self, str)¶
-
setParent
(self, QObject)¶
-
setProperty
(self, str, Any) → bool¶
-
setRecursiveFilteringEnabled
(self, bool)¶
-
setSortCaseSensitivity
(self, Qt.CaseSensitivity)¶
-
setSortLocaleAware
(self, bool)¶
-
setSortRole
(self, int)¶
-
setSourceModel
(self, QAbstractItemModel)¶
-
sibling
(self, int, int, QModelIndex) → QModelIndex¶
-
signalsBlocked
(self) → bool¶
-
sort
(self, int, order: Qt.SortOrder = Qt.AscendingOrder)¶
-
sortCaseSensitivity
(self) → Qt.CaseSensitivity¶
-
sortColumn
(self) → int¶
-
sortOrder
(self) → Qt.SortOrder¶
-
sortRole
(self) → int¶
-
sourceModel
(self) → QAbstractItemModel¶
-
sourceModelChanged
¶ sourceModelChanged(self) [signal]
-
span
(self, QModelIndex) → QSize¶
-
startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
submit
(self) → bool¶
-
supportedDragActions
(self) → Qt.DropActions¶
-
supportedDropActions
(self) → Qt.DropActions¶
-
thread
(self) → QThread¶
-
timerEvent
(self, QTimerEvent)¶
-
tr
(self, str, disambiguation: str = None, n: int = -1) → str¶
-
-
class
schrodinger.application.jaguar.gui.tabs.scan_tab.
ScanCoordinatesModel
(parent=None)¶ Bases:
schrodinger.application.jaguar.gui.tabs.coordinates.CoordinatesModel
A model to store scan tab coordinates data.
-
COLUMN
= <schrodinger.application.jaguar.gui.tabs.scan_tab.ScanCoordinateColumns object>¶
-
addCoordinate
(st, atoms, coordinate_type, start_value=None, final_value=None, increment=None)¶ Add new coordinate row.
Parameters: - st (
schrodinger.structure.Structure
) – structure - atoms (list) – atom indices
- coordinate_type (int) – coordinate type
- start_value (float) – starting coordinate value
- final_value (float) – final coordinate value
- increment (float) – increment value
Returns: returns True if this is a new coordinate and False otherwise.
Return type: bool
- st (
-
data
(index, role=0)¶ Retrieve the requested data
Parameters: - index (
PyQt5.QtCore.QModelIndex
) – The index to retrieve data for - role (int) – The role to retrieve data for
Returns: The requested data
- index (
-
class
CheckIndexOption
¶ Bases:
enum.IntEnum
An enumeration.
-
DoNotUseParent
= 2¶
-
IndexIsValid
= 1¶
-
NoOption
= 0¶
-
ParentIsInvalid
= 4¶
-
-
class
CheckIndexOptions
¶ Bases:
sip.simplewrapper
QAbstractItemModel.CheckIndexOptions(Union[QAbstractItemModel.CheckIndexOptions, QAbstractItemModel.CheckIndexOption]) QAbstractItemModel.CheckIndexOptions(QAbstractItemModel.CheckIndexOptions)
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
-
HorizontalSortHint
= 2¶
-
class
LayoutChangeHint
¶ Bases:
int
-
__init__
= <method-wrapper '__init__' of sip.enumtype object at 0x38e5118>¶
-
-
NoLayoutChangeHint
= 0¶
-
VerticalSortHint
= 1¶
-
__init__
(parent=None)¶ Initialize self. See help(type(self)) for accurate signature.
-
beginInsertColumns
(self, QModelIndex, int, int)¶
-
beginInsertRows
(self, QModelIndex, int, int)¶
-
beginMoveColumns
(self, QModelIndex, int, int, QModelIndex, int) → bool¶
-
beginMoveRows
(self, QModelIndex, int, int, QModelIndex, int) → bool¶
-
beginRemoveColumns
(self, QModelIndex, int, int)¶
-
beginRemoveRows
(self, QModelIndex, int, int)¶
-
beginResetModel
(self)¶
-
blockSignals
(self, bool) → bool¶
-
buddy
(self, QModelIndex) → QModelIndex¶
-
canDropMimeData
(self, QMimeData, Qt.DropAction, int, int, QModelIndex) → bool¶
-
canFetchMore
(self, QModelIndex) → bool¶
-
changePersistentIndex
(self, QModelIndex, QModelIndex)¶
-
changePersistentIndexList
(self, Iterable[QModelIndex], Iterable[QModelIndex])¶
-
checkIndex
(self, QModelIndex, options: Union[QAbstractItemModel.CheckIndexOptions, QAbstractItemModel.CheckIndexOption] = QAbstractItemModel.CheckIndexOption.NoOption) → bool¶
-
checkNewCoordinate
(atoms, coordinate_type)¶ This function check whether this coordinate is already present in this model.
Parameters: - atoms (list) – atom indices
- coordinate_type (int) – coordinate type
Returns: True if this coordinate has not been found and False otherwise.
Return type: bool
-
childEvent
(self, QChildEvent)¶
-
children
(self) → List[QObject]¶
-
columnCount
(parent=None)¶ Return the number of columns in the model
Parameters: parent – Unused, but preset for PyQt compatibility Returns: The number of columns in the model. Return type: int
-
columnsAboutToBeInserted
¶ columnsAboutToBeInserted(self, QModelIndex, int, int) [signal]
-
columnsAboutToBeMoved
¶ columnsAboutToBeMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]
-
columnsAboutToBeRemoved
¶ columnsAboutToBeRemoved(self, QModelIndex, int, int) [signal]
-
columnsInserted
¶ columnsInserted(self, QModelIndex, int, int) [signal]
-
columnsMoved
¶ columnsMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]
-
columnsRemoved
¶ columnsRemoved(self, QModelIndex, int, int) [signal]
-
connectNotify
(self, QMetaMethod)¶
-
createIndex
(self, int, int, object: object = 0) → QModelIndex¶
-
customEvent
(self, QEvent)¶
-
dataChanged
¶ dataChanged(self, QModelIndex, QModelIndex, roles: Iterable[int] = []) [signal]
-
decodeData
(self, int, int, QModelIndex, QDataStream) → bool¶
-
deleteLater
(self)¶
-
destroyed
¶ destroyed(self, object: QObject = None) [signal]
-
disconnect
(self)¶
-
disconnectNotify
(self, QMetaMethod)¶
-
dropMimeData
(self, QMimeData, Qt.DropAction, int, int, QModelIndex) → bool¶
-
dumpObjectInfo
(self)¶
-
dumpObjectTree
(self)¶
-
dynamicPropertyNames
(self) → List[QByteArray]¶
-
encodeData
(self, Iterable[QModelIndex], QDataStream)¶
-
endInsertColumns
(self)¶
-
endInsertRows
(self)¶
-
endMoveColumns
(self)¶
-
endMoveRows
(self)¶
-
endRemoveColumns
(self)¶
-
endRemoveRows
(self)¶
-
endResetModel
(self)¶
-
event
(self, QEvent) → bool¶
-
eventFilter
(self, QObject, QEvent) → bool¶
-
fetchMore
(self, QModelIndex)¶
-
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]
-
findCoordinate
(atoms, coordinate_type)¶ This function searches for coordinate defined by atoms list and coordinate type. If match is found this function returns row index and None otherwise.
Parameters: - atoms (list) – atom indices
- coordinate_type (int) – coordinate type
Returns: row index if this coordinate has been found and None otherwise.
Return type: int or None
-
flags
(self, QModelIndex) → Qt.ItemFlags¶
-
hasChildren
()¶
-
hasIndex
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
headerData
(section, orientation, role)¶ Retrieve the requested header data. This data is used to show Qt view column/row headers.
Parameters: - section (int) – The row/column number to retrieve header data for
- orientation (int) – The orientation of the header (Qt.Horizontal or Qt.Vertical) to retrieve data for
- role (int) – The role to retrieve header data for
-
headerDataChanged
¶ headerDataChanged(self, Qt.Orientation, int, int) [signal]
-
index
(self, int, int, parent: QModelIndex = QModelIndex()) → QModelIndex¶
-
inherits
(self, str) → bool¶
-
insertColumn
(self, int, parent: QModelIndex = QModelIndex()) → bool¶
-
insertColumns
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
insertRow
(self, int, parent: QModelIndex = QModelIndex()) → bool¶
-
insertRows
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
installEventFilter
(self, QObject)¶
-
isSignalConnected
(self, QMetaMethod) → bool¶
-
isWidgetType
(self) → bool¶
-
isWindowType
(self) → bool¶
-
itemData
(self, QModelIndex) → Dict[int, Any]¶
-
killTimer
(self, int)¶
-
layoutAboutToBeChanged
¶ layoutAboutToBeChanged(self, parents: Iterable[QPersistentModelIndex] = [], hint: QAbstractItemModel.LayoutChangeHint = QAbstractItemModel.NoLayoutChangeHint) [signal]
-
layoutChanged
¶ layoutChanged(self, parents: Iterable[QPersistentModelIndex] = [], hint: QAbstractItemModel.LayoutChangeHint = QAbstractItemModel.NoLayoutChangeHint) [signal]
-
match
(self, QModelIndex, int, Any, hits: int = 1, flags: Union[Qt.MatchFlags, Qt.MatchFlag] = Qt.MatchStartsWith|Qt.MatchWrap) → List[QModelIndex]¶
-
metaObject
(self) → QMetaObject¶
-
mimeData
(self, Iterable[QModelIndex]) → QMimeData¶
-
mimeTypes
(self) → List[str]¶
-
modelAboutToBeReset
¶ modelAboutToBeReset(self) [signal]
-
modelReset
¶ modelReset(self) [signal]
-
moveColumn
(self, QModelIndex, int, QModelIndex, int) → bool¶
-
moveColumns
(self, QModelIndex, int, int, QModelIndex, int) → bool¶
-
moveRow
(self, QModelIndex, int, QModelIndex, int) → bool¶
-
moveRows
(self, QModelIndex, int, int, QModelIndex, int) → bool¶
-
moveToThread
(self, QThread)¶
-
objectName
(self) → str¶
-
objectNameChanged
¶ objectNameChanged(self, str) [signal]
-
parent
(self) → QObject¶
-
persistentIndexList
(self) → List[QModelIndex]¶
-
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.
-
receivers
(self, PYQT_SIGNAL) → int¶
-
removeColumn
(self, int, parent: QModelIndex = QModelIndex()) → bool¶
-
removeColumns
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
removeCoordinate
(atoms, coordinate_type)¶ This function searches for a given coordinate. If match is found coordinate is removed.
Parameters: - atoms (list) – atom indices
- coordinate_type (int) – coordinate type
Returns: True if this coordinate was found and removed, False otherwise.
Return type: bool
-
removeEventFilter
(self, QObject)¶
-
removeRow
(row, parent=<PyQt5.QtCore.QModelIndex object>)¶ Removes the given row from the child items of the parent specified. Returns true if the row is removed; otherwise returns false.
Parameters: - row (int) – row index
- index (
QtCore.QModelIndex
) – parent index
Returns: True or False
Return type: bool
-
removeRows
(self, int, int, parent: QModelIndex = QModelIndex()) → bool¶
-
reset
()¶ Remove any existing data
-
resetInternalData
(self)¶
-
revert
(self)¶
-
roleNames
(self) → Dict[int, QByteArray]¶
-
rowCount
(parent=None)¶ Return the number of rows in the model
Parameters: parent – Unused, but preset for PyQt compatibility Returns: The number of rows in the model. Return type: int
-
rowsAboutToBeInserted
¶ rowsAboutToBeInserted(self, QModelIndex, int, int) [signal]
-
rowsAboutToBeMoved
¶ rowsAboutToBeMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]
-
rowsAboutToBeRemoved
¶ rowsAboutToBeRemoved(self, QModelIndex, int, int) [signal]
-
rowsInserted
¶ rowsInserted(self, QModelIndex, int, int) [signal]
-
rowsMoved
¶ rowsMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]
-
rowsRemoved
¶ rowsRemoved(self, QModelIndex, int, int) [signal]
-
sender
(self) → QObject¶
-
senderSignalIndex
(self) → int¶
-
setData
(index, value, role=2)¶ Modify coordinate values.
Parameters: - index (
QtCore.QModelIndex
) – the index of table cell - value – new value
- role (int) – The role to set data for.
- index (
-
setHeaderData
(self, int, Qt.Orientation, Any, role: int = Qt.EditRole) → bool¶
-
setItemData
(self, QModelIndex, Dict[int, Any]) → bool¶
-
setObjectName
(self, str)¶
-
setParent
(self, QObject)¶
-
setProperty
(self, str, Any) → bool¶
-
sibling
(self, int, int, QModelIndex) → QModelIndex¶
-
signalsBlocked
(self) → bool¶
-
sort
(self, int, order: Qt.SortOrder = Qt.AscendingOrder)¶
-
span
(self, QModelIndex) → QSize¶
-
startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
submit
(self) → bool¶
-
supportedDragActions
(self) → Qt.DropActions¶
-
supportedDropActions
(self) → Qt.DropActions¶
-
thread
(self) → QThread¶
-
timerEvent
(self, QTimerEvent)¶
-
tr
(self, str, disambiguation: str = None, n: int = -1) → str¶
-