schrodinger.application.matsci.builderwidgets module¶
Common widgets and code for builders such as the TM Complex Builder and the Oligamer builder
Copyright Schrodinger, LLC. All rights reserved.
- schrodinger.application.matsci.builderwidgets.get_builtin_template_items(path, item_type, item_class=None)[source]¶
Get a list of the built-in templates
- Parameters
path (str) – The path to the script (generated via __file__ property)
item_type (str) – The type item these templates are. Will form the base name of the template directory. For example, polymer items might have types of “monomer” or “initiator” while complexes might have have a type of “ligand”.
item_class (type(QtWidgets.QListWidgetItem)) – The base class to use when creating the template items. Defaults to QtWidgets.QListWidgetItem
- Return tuple(item_class)
A list of the builtin template items
- schrodinger.application.matsci.builderwidgets.get_builtin_directory(path, item_type)[source]¶
Given a path to a script and an item type, generate the path to built-in templates for that script and item_type
If the script is located at /A/B/bob.py, the path returned will be /A/B/bob_dir/item_type_templates
- Parameters
path (str) – The path to the script (generated via __file__ property)
item_type (str) – The type item these templates are. Will form the base name of the template directory
- Return type
str
- Returns
The path to the built-in directory for templates of item_type for the script at path
- class schrodinger.application.matsci.builderwidgets.TemplateSelectorFilterListPopUp(parent)[source]¶
Bases:
schrodinger.ui.qt.filter_list.FilterListPopUp
A pop up widget that allows for dynamic filtering and selection of template structures.
- getSelection()[source]¶
Get the currently selected template
- Return str or None
String indicating the name of the template or
None
if no template is selected.
- setSelection(template)[source]¶
Set the template to the requested value.
- Parameters
template (str) – The name of the template to set the pop up to.
- Raises
ValueError – If the requested template name was not found. In these cases, the template will not be changed and
template_changed
will not be emitted.RuntimeError – If more than one matching template was found. In these cases, the template will not be changed and
template_changed
will not be emitted.
- Box = 1¶
- DrawChildren = 2¶
- DrawWindowBackground = 1¶
- HLine = 4¶
- IgnoreMask = 4¶
- NoFrame = 0¶
- class PaintDeviceMetric¶
Bases:
int
- Panel = 2¶
- PdmDepth = 6¶
- PdmDevicePixelRatio = 11¶
- PdmDevicePixelRatioScaled = 12¶
- PdmDpiX = 7¶
- PdmDpiY = 8¶
- PdmHeight = 2¶
- PdmHeightMM = 4¶
- PdmNumColors = 5¶
- PdmPhysicalDpiX = 9¶
- PdmPhysicalDpiY = 10¶
- PdmWidth = 1¶
- PdmWidthMM = 3¶
- Plain = 16¶
- Raised = 32¶
- 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)¶
- class Shadow¶
Bases:
int
- Shadow_Mask = 240¶
- class Shape¶
Bases:
int
- Shape_Mask = 15¶
- class StyleMask¶
Bases:
int
- StyledPanel = 6¶
- Sunken = 48¶
- VLine = 5¶
- WinPanel = 3¶
- acceptDrops(self) bool ¶
- accessibleDescription(self) str ¶
- accessibleName(self) str ¶
- actionEvent(self, QActionEvent)¶
- actions(self) List[QAction] ¶
- activateWindow(self)¶
- addAction(self, QAction)¶
- addActions(self, Iterable[QAction])¶
- adjustSize(self)¶
- applyAliasedSettings(settings)¶
Applies any aliased settings with new values from the dictionary. Any aliases not present in the settings dictionary will be left unchanged.
- Parameters
settings (dict) – a dictionary mapping aliases to new values to apply
- applyFilters()¶
Apply the current filter text and predefined filters to the list contents.
- applySettings(settings, target=None)¶
- autoFillBackground(self) bool ¶
- backgroundRole(self) QPalette.ColorRole ¶
- baseSize(self) QSize ¶
- blockSignals(self, bool) bool ¶
- changeEvent(self, QEvent)¶
- childAt(self, QPoint) QWidget ¶
- TemplateSelectorFilterListPopUp.childAt(self, int, int) -> QWidget
- childEvent(self, QChildEvent)¶
- children(self) List[QObject] ¶
- childrenRect(self) QRect ¶
- childrenRegion(self) QRegion ¶
- clearFilters()¶
Clear all item filters.
- 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 ¶
- cursor(self) QCursor ¶
- customContextMenuRequested¶
customContextMenuRequested(self, QPoint) [signal]
- customEvent(self, QEvent)¶
- dataChanged¶
- 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)¶
- drawFrame(self, QPainter)¶
- dropEvent(self, QDropEvent)¶
- dumpObjectInfo(self)¶
- dumpObjectTree(self)¶
- dynamicPropertyNames(self) List[QByteArray] ¶
- effectiveWinId(self) PyQt5.sip.voidptr ¶
- ensurePolished(self)¶
- enterEvent(self, QEvent)¶
- estimateMaxHeight()¶
Return an estimate of the maximum allowable height of this pop up. This estimate is used to ensure that the pop up is positioned within the window. The default implementation uses the current size hint. Subclasses can reimplement this function if they can calculate a more accurate allowable height. This is typically only applicable if the pop up is likely to change size.
- Returns
The maximum allowable height
- Return type
int
- estimateMaxWidth()¶
Return an estimate of the maximum allowable width of this pop up. This estimate is used to ensure that the pop up is positioned within the window. The default implementation uses the current size hint. Subclasses can reimplement this function if they can calculate a more accurate allowable width. This is typically only applicable if the pop up is likely to change size.
- Returns
The maximum allowable width
- Return type
int
- event(self, QEvent) bool ¶
- eventFilter(self, QObject, QEvent) bool ¶
- filtersChanged¶
- 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 ¶
- frameGeometry(self) QRect ¶
- frameRect(self) QRect ¶
- frameShadow(self) QFrame.Shadow ¶
- frameShape(self) QFrame.Shape ¶
- frameSize(self) QSize ¶
- frameStyle(self) int ¶
- frameWidth(self) int ¶
- geometry(self) QRect ¶
- getAliasedSettings()¶
- getAliasedValue(alias)¶
- getContentsMargins(self) Tuple[int, int, int, int] ¶
- getObjValue(obj)¶
- getPersistenceKey(alias)¶
Return a unique identifier for saving/restoring a setting in the preferences. Override this method to change the key scheme (this is necessary if creating a common resource which is shared by multiple panels).
- Parameters
alias (str) – the alias for which we are generating a key
- getSettings(target=None, ignore_list=None)¶
- 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(event)¶
Emit a signal every time this pop up is hidden.
- inherits(self, str) bool ¶
- initPainter(self, QPainter)¶
- initStyleOption(self, QStyleOptionFrame)¶
- inputMethodEvent(self, QInputMethodEvent)¶
- inputMethodHints(self) Qt.InputMethodHints ¶
- inputMethodQuery(self, Qt.InputMethodQuery) Any ¶
- TemplateSelectorFilterListPopUp.insertAction(self, QAction, QAction)
- insertActions(self, QAction, Iterable[QAction])¶
- installEventFilter(self, QObject)¶
- installPopUpEventFilter(event_filter)¶
Install the provided event filter on all widgets within this pop up that can receive focus.
- Note
This function only installs the event filter on immediate children of this widget. As a result, keyboard events on grandchildren (or later descendant) widgets will not be handled properly. If this causes issues, the implementation will have to be modified.
- Parameters
event_filter (
_BasisSelectorPopUpEventFilter
) – The event filter to install
- isActiveWindow(self) bool ¶
- isAncestorOf(self, QWidget) bool ¶
- isEnabled(self) bool ¶
- isEnabledTo(self, QWidget) bool ¶
- isFullScreen(self) bool ¶
- isHidden(self) bool ¶
- isItemHidden(item_txt)¶
- Returns
True if the item with the specified text is in the list and hidden, False otherwise.
- Return type
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(event)¶
Close the popup if enter/return is pressed.
See Qt documentation for argument documentation.
- keyReleaseEvent(self, QKeyEvent)¶
- keyboardGrabber() QWidget ¶
- killTimer(self, int)¶
- layout(self) QLayout ¶
- layoutDirection(self) Qt.LayoutDirection ¶
- leaveEvent(self, QEvent)¶
- lineEditUpdated(text)¶
Update this pop up in response to the user changing the line edit text. Note that, by default, this widget will not be able to send signals during execution of this method. This prevents an infinite loop of
PopUp.lineEditUpdated
andLineEditWithPopUp.popUpUpdated
. To modify this behavior, subclassLineEditWithPopUp
and reimplementLineEditWithPopUp.popUpUpdated
.- Parameters
text (str) – The current text of the line edit
- lineWidth(self) int ¶
- loadPersistentOptions()¶
Load all persistent options from the preferences.
- 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 ¶
- midLineWidth(self) 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)¶
- TemplateSelectorFilterListPopUp.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]
- onDataChanged()¶
Emit the dataChanged signal when a new item is selected.
- onReturnPressed()¶
Check if an item has been selected and, if so, set that item as the current item. If a current item has been set, hide the popup.
- 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 ¶
- popUpResized¶
- 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 ¶
- 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)¶
- TemplateSelectorFilterListPopUp.repaint(self, int, int, int, int) -> None
- repaint(self, QRect) None
- repaint(self, QRegion) None
- resize(self, QSize)¶
- TemplateSelectorFilterListPopUp.resize(self, int, int) -> None
- resizeEvent(self, QResizeEvent)¶
- restoreGeometry(self, Union[QByteArray, bytes, bytearray]) bool ¶
- saveGeometry(self) QByteArray ¶
- savePersistentOptions()¶
Store all persistent options to the preferences.
- TemplateSelectorFilterListPopUp.scroll(self, int, int)
- TemplateSelectorFilterListPopUp.scroll(self, int, int, QRect) -> None
- sender(self) QObject ¶
- senderSignalIndex(self) int ¶
- setAcceptDrops(self, bool)¶
- setAccessibleDescription(self, str)¶
- setAccessibleName(self, str)¶
- setAlias(alias, obj, persistent=False)¶
Sets an alias to conveniently access an object.
- Parameters
alias (hashable) – any hashable, but typically a string name
obj (object) – the actual object to be referenced
persistent (bool) – whether to make the setting persistent
- setAliasedValue(alias, value)¶
- setAliases(alias_dict, persistent=False)¶
Sets multiple aliases at once. Already used aliases are overwritten; other existing aliases are not affected.
- Parameters
alias_dict (dict) – map of aliases to objects
persistent (bool) – whether to make the settings persistent
- setAttribute(self, Qt.WidgetAttribute, on: bool = True)¶
- setAutoFillBackground(self, bool)¶
- setBackgroundRole(self, QPalette.ColorRole)¶
- TemplateSelectorFilterListPopUp.setBaseSize(self, int, int)
- setBaseSize(self, QSize) None ¶
- TemplateSelectorFilterListPopUp.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)¶
- TemplateSelectorFilterListPopUp.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)¶
- setFrameRect(self, QRect)¶
- setFrameShadow(self, QFrame.Shadow)¶
- setFrameShape(self, QFrame.Shape)¶
- setFrameStyle(self, int)¶
- setGeometry(self, QRect)¶
- TemplateSelectorFilterListPopUp.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)¶
- setLineWidth(self, int)¶
- setLocale(self, QLocale)¶
- setMask(self, QBitmap)¶
- setMask(self, QRegion) None
- setMaximumHeight(self, int)¶
- TemplateSelectorFilterListPopUp.setMaximumSize(self, int, int)
- setMaximumSize(self, QSize) None ¶
- setMaximumWidth(self, int)¶
- setMidLineWidth(self, int)¶
- setMinimumHeight(self, int)¶
- TemplateSelectorFilterListPopUp.setMinimumSize(self, int, int)
- setMinimumSize(self, QSize) None ¶
- setMinimumWidth(self, int)¶
- setMouseTracking(self, bool)¶
- setObjValue(obj, value)¶
- setObjectName(self, str)¶
- setPalette(self, QPalette)¶
- setParent(self, QWidget)¶
- setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType]) None
- setPersistent(alias=None)¶
Set options to be persistent. Any options to be made persistent must be aliased, since the alias is used to form the preference key. If no alias is specified, all aliased settings will be made persistent.
- Parameters
alias (str or None) – the alias to save, or None
- setProperty(self, str, Any) bool ¶
- setShortcutAutoRepeat(self, int, enabled: bool = True)¶
- setShortcutEnabled(self, int, enabled: bool = True)¶
- TemplateSelectorFilterListPopUp.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)¶
- TemplateSelectorFilterListPopUp.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)¶
- setup()¶
Sets up the widget’s UI and connections.
- show(self)¶
- showEvent(event)¶
Emit a signal every time this pop up is shown.
- 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 ¶
- style(self) QStyle ¶
- styleSheet(self) str ¶
- subWidgetHasFocus()¶
Return True if any widget within the pop up has focus. False otherwise.
- Note
Note that combo boxes have various list view and frame children that can receive focus (and which of these widgets can receive focus varies by OS). As a result, we check the full ancestry of the focus widget here rather than just checking it’s parent. Also note that we can’t use Qt’s isAncestorOf() function to check ancestry, since combo box drop downs are considered to be their own window and isAncestorOf() requires ancestors to be part of the same window.
- 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
- TemplateSelectorFilterListPopUp.update(self, int, int, int, int) -> None
- updateGeometry(self)¶
- updateMicroFocus(self)¶
- updatesEnabled(self) bool ¶
- visibilityChanged¶
- 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.application.matsci.builderwidgets.TemplateSelectorFilterListToolButton(parent)[source]¶
Bases:
schrodinger.ui.qt.filter_list.ToolButtonWithFilterListPopUp
Custom tool button with a template structure selector filter list pop up.
- POP_UP_CLASS = None¶
- ALIGN_AUTO = 4¶
- ALIGN_BOTTOM = 1¶
- ALIGN_LEFT = 3¶
- ALIGN_RIGHT = 2¶
- ALIGN_TOP = 0¶
- DelayedPopup = 0¶
- DrawChildren = 2¶
- DrawWindowBackground = 1¶
- IgnoreMask = 4¶
- InstantPopup = 2¶
- MenuButtonPopup = 1¶
- 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)¶
- class ToolButtonPopupMode¶
Bases:
int
- __init__(parent)¶
- Parameters
parent (
PyQt5.QtWidgets.QWidget
) – The Qt parent widgetpop_up_class (type) – The class of the pop up widget. Should be a subclass of
PopUp
.arrow_type (
Qt.ArrowType
) – Type of arrow to display in the buttontext (str) – Text to set for this button. If not specified, only an icon will be shown.
- acceptDrops(self) bool ¶
- accessibleDescription(self) str ¶
- accessibleName(self) str ¶
- actionEvent(self, QActionEvent)¶
- actions(self) List[QAction] ¶
- activateWindow(self)¶
- addAction(self, QAction)¶
- addActions(self, Iterable[QAction])¶
- adjustSize(self)¶
- animateClick(self, msecs: int = 100)¶
- applySettings(settings)¶
Apply the specified settings to the filters.
- Parameters
settings (dict) – Settings to be applied.
- arrowType(self) Qt.ArrowType ¶
- autoExclusive(self) bool ¶
- autoFillBackground(self) bool ¶
- autoRaise(self) bool ¶
- autoRepeat(self) bool ¶
- autoRepeatDelay(self) int ¶
- autoRepeatInterval(self) int ¶
- backgroundRole(self) QPalette.ColorRole ¶
- baseSize(self) QSize ¶
- blockSignals(self, bool) bool ¶
- changeEvent(self, QEvent)¶
- checkStateSet(self)¶
- childAt(self, QPoint) QWidget ¶
- TemplateSelectorFilterListToolButton.childAt(self, int, int) -> QWidget
- childEvent(self, QChildEvent)¶
- children(self) List[QObject] ¶
- childrenRect(self) QRect ¶
- childrenRegion(self) QRegion ¶
- clearFilters()¶
Clear all pop up filters
- clearFocus(self)¶
- clearMask(self)¶
- click(self)¶
- clicked¶
clicked(self, checked: bool = False) [signal]
- 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 ¶
- cursor(self) QCursor ¶
- customContextMenuRequested¶
customContextMenuRequested(self, QPoint) [signal]
- customEvent(self, QEvent)¶
- defaultAction(self) QAction ¶
- 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)¶
- event(self, QEvent) bool ¶
- eventFilter(self, QObject, QEvent) bool ¶
- filtersChanged¶
- 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 ¶
- frameGeometry(self) QRect ¶
- frameSize(self) QSize ¶
- geometry(self) QRect ¶
- getContentsMargins(self) Tuple[int, int, int, int] ¶
- getSettings(**kwargs)¶
Get the current filter settings.
- Returns
Map of the current filter settings
- 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]) None
- grabShortcut(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) int ¶
- graphicsEffect(self) QGraphicsEffect ¶
- graphicsProxyWidget(self) QGraphicsProxyWidget ¶
- group(self) QButtonGroup ¶
- 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)¶
- hitButton(self, QPoint) bool ¶
- icon(self) QIcon ¶
- iconSize(self) QSize ¶
- inherits(self, str) bool ¶
- initPainter(self, QPainter)¶
- initStyleOption(self, QStyleOptionToolButton)¶
- inputMethodEvent(self, QInputMethodEvent)¶
- inputMethodHints(self) Qt.InputMethodHints ¶
- inputMethodQuery(self, Qt.InputMethodQuery) Any ¶
- TemplateSelectorFilterListToolButton.insertAction(self, QAction, QAction)
- insertActions(self, QAction, Iterable[QAction])¶
- installEventFilter(self, QObject)¶
- isActiveWindow(self) bool ¶
- isAncestorOf(self, QWidget) bool ¶
- isCheckable(self) bool ¶
- isChecked(self) bool ¶
- isDown(self) bool ¶
- isEnabled(self) bool ¶
- isEnabledTo(self, QWidget) bool ¶
- isFullScreen(self) bool ¶
- isHidden(self) bool ¶
- isItemHidden(item_txt)¶
Return whether the specified item text is hidden.
- Parameters
item_txt (str) – Item text to check
- Returns
True if item is n list and is hidden, False otherwise
- Return type
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)¶
- TemplateSelectorFilterListToolButton.move(self, int, int) -> None
- moveEvent(event)¶
Update the pop up position and size when the widget is moved
- moveToThread(self, QThread)¶
- nativeEvent(self, Union[QByteArray, bytes, bytearray], sip.voidptr) Tuple[bool, int] ¶
- nativeParentWidget(self) QWidget ¶
- nextCheckState(self)¶
- nextInFocusChain(self) QWidget ¶
- normalGeometry(self) QRect ¶
- objectName(self) str ¶
- objectNameChanged¶
objectNameChanged(self, str) [signal]
- onClicked()¶
If the button is clicked, toggle the check state of the button, which should toggle the visibility of the pop up.
- 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 ¶
- popUpClosing¶
- popUpUpdated(text)¶
Whenever the pop up emits the dataChanged signal, update the widget. This function should be implemented in subclasses if required.
- Parameters
text (str) – The text emitted with the dataChanged signal
- property pop_up_visible¶
- Returns
whether the pop up frame is visible to its parent
- Return type
bool
- popupMode(self) QToolButton.ToolButtonPopupMode ¶
- pos(self) QPoint ¶
- pressed¶
pressed(self) [signal]
- 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 ¶
- releaseKeyboard(self)¶
- releaseMouse(self)¶
- releaseShortcut(self, int)¶
- released¶
released(self) [signal]
- 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)¶
- TemplateSelectorFilterListToolButton.repaint(self, int, int, int, int) -> None
- repaint(self, QRect) None
- repaint(self, QRegion) None
- resize(self, QSize)¶
- TemplateSelectorFilterListToolButton.resize(self, int, int) -> None
- resizeEvent(event)¶
Update the pop up position and size when the widget is resized
- restoreGeometry(self, Union[QByteArray, bytes, bytearray]) bool ¶
- saveGeometry(self) QByteArray ¶
- TemplateSelectorFilterListToolButton.scroll(self, int, int)
- TemplateSelectorFilterListToolButton.scroll(self, int, int, QRect) -> None
- sender(self) QObject ¶
- senderSignalIndex(self) int ¶
- setAcceptDrops(self, bool)¶
- setAccessibleDescription(self, str)¶
- setAccessibleName(self, str)¶
- setArrowType(self, Qt.ArrowType)¶
- setAttribute(self, Qt.WidgetAttribute, on: bool = True)¶
- setAutoExclusive(self, bool)¶
- setAutoFillBackground(self, bool)¶
- setAutoRaise(self, bool)¶
- setAutoRepeat(self, bool)¶
- setAutoRepeatDelay(self, int)¶
- setAutoRepeatInterval(self, int)¶
- setBackgroundRole(self, QPalette.ColorRole)¶
- TemplateSelectorFilterListToolButton.setBaseSize(self, int, int)
- setBaseSize(self, QSize) None ¶
- setCheckable(self, bool)¶
- setChecked(checked)¶
Set the button check state, and also alter the pop up visibility. Note that the button should be checked if and only if the pop up is visible, and that changing the visibility of the pop up (e.g. by clicking the button) will also change the check state. :param checked: whether the button should be checked :type checked: bool
- TemplateSelectorFilterListToolButton.setContentsMargins(self, int, int, int, int)
- setContentsMargins(self, QMargins) None ¶
- setContextMenuPolicy(self, Qt.ContextMenuPolicy)¶
- setCursor(self, Union[QCursor, Qt.CursorShape])¶
- setDefaultAction(self, QAction)¶
- setDisabled(self, bool)¶
- setDown(self, bool)¶
- setEnabled(self, bool)¶
- setFixedHeight(self, int)¶
- setFixedSize(self, QSize)¶
- TemplateSelectorFilterListToolButton.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)¶
- TemplateSelectorFilterListToolButton.setGeometry(self, int, int, int, int) -> None
- setGraphicsEffect(self, QGraphicsEffect)¶
- setHidden(self, bool)¶
- setIcon(self, QIcon)¶
- setIconSize(self, QSize)¶
- 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)¶
- TemplateSelectorFilterListToolButton.setMaximumSize(self, int, int)
- setMaximumSize(self, QSize) None ¶
- setMaximumWidth(self, int)¶
- setMenu(self, QMenu)¶
- setMinimumHeight(self, int)¶
- TemplateSelectorFilterListToolButton.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
- setPopUp(pop_up)¶
Set the pop up widget to the specified pop up widget instance.
- setPopUpClass(pop_up_class)¶
If a pop up class was not specified via the constructor, use this method to set it after the fact. Useful for placing widgets into
*.ui
files.
- setPopupHalign(popup_halign)¶
Specify whether the pop up should have its right edge aligned with the right edge of the widget (ALIGN_RIGHT), have its left edge aligned with the left edge of the widget (ALIGN_LEFT), or have it’s horizontal alignment determined automatically (ALIGN_AUTO). Note that this setting is moot if the widget is wider than the pop up’s size hint, as the pop up will be extended to the same width as the widget.
- Parameters
popup_halign (int) – The desired horizontal alignment of the pop up. Must be one of ALIGN_RIGHT, ALIGN_LEFT, or ALIGN_AUTO.
- setPopupMode(self, QToolButton.ToolButtonPopupMode)¶
- setPopupValign(popup_valign)¶
Specify whether the pop up should appear above (ALIGN_TOP), below (ALIGN_BOTTOM) the widget, or have it’s vertical alignment determined automatically (ALIGN_AUTO).
- Parameters
popup_valign (int) – The desired vertical alignment of the pop up. Must be either ALIGN_TOP, ALIGN_BOTTOM, or ALIGN_AUTO.
- setProperty(self, str, Any) bool ¶
- setShortcut(self, Union[QKeySequence, QKeySequence.StandardKey, str, int])¶
- setShortcutAutoRepeat(self, int, enabled: bool = True)¶
- setShortcutEnabled(self, int, enabled: bool = True)¶
- TemplateSelectorFilterListToolButton.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)¶
- TemplateSelectorFilterListToolButton.setTabOrder(QWidget, QWidget)
- setTabletTracking(self, bool)¶
- setText(self, str)¶
- setToolButtonStyle(self, Qt.ToolButtonStyle)¶
- 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)¶
- shortcut(self) QKeySequence ¶
- show(self)¶
- showEvent(self, QShowEvent)¶
- showFullScreen(self)¶
- showMaximized(self)¶
- showMenu(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 ¶
- style(self) QStyle ¶
- styleSheet(self) str ¶
- tabletEvent(self, QTabletEvent)¶
- testAttribute(self, Qt.WidgetAttribute) bool ¶
- text(self) str ¶
- thread(self) QThread ¶
- timerEvent(self, QTimerEvent)¶
- toggle(self)¶
- toggled¶
toggled(self, bool) [signal]
- toolButtonStyle(self) Qt.ToolButtonStyle ¶
- toolTip(self) str ¶
- toolTipDuration(self) int ¶
- tr(self, str, disambiguation: str = None, n: int = - 1) str ¶
- triggered¶
triggered(self, QAction) [signal]
- underMouse(self) bool ¶
- ungrabGesture(self, Qt.GestureType)¶
- unsetCursor(self)¶
- unsetLayoutDirection(self)¶
- unsetLocale(self)¶
- update(self)¶
- update(self, QRect) None
- update(self, QRegion) None
- TemplateSelectorFilterListToolButton.update(self, int, int, int, int) -> None
- updateGeometry(self)¶
- updateMicroFocus(self)¶
- updatesEnabled(self) bool ¶
- 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.application.matsci.builderwidgets.TemplateSelector(*args, item_class=None, command=None, **kwargs)[source]¶
Bases:
schrodinger.ui.qt.swidgets.SelectorWithPopUp
A frame that allows the user to specify a template structure from a pop up list.
- TOOL_BUTTON_CLASS = None¶
- __init__(*args, item_class=None, command=None, **kwargs)[source]¶
Extend super’s __init__ by assigning a self.item_class attribute. This attribute is the base class used when creating/updating the item list in this class’ list widget.
- Parameters
item_class (type(QtWidgets.QListWidgetItem)) – The child class of QListWidgetItem to use when updating or resetting items in the list widget. If
None
, then defaults to the base QListWidgetItem class.command (function) – function to call when the selector’s tool button’s pop up’s data are changed
- setSelection(template)[source]¶
Set the template name for the widget
- Parameters
template (str) – The name of the template structure to set
- Raises
ValueError – If the template name is not recognized
- silentlySetTemplates(template_names)[source]¶
Set the items for the selector without emitting any signals
- Parameters
template_names (list(str)) – A list of the new template names for the selector
- silentlyTryToSelectTemplate(text)[source]¶
Select the item with the given text and do so without emitting any signals. Also do not give an error if no item with text exists.
- Parameters
text (str) – The text of the item to select
- Box = 1¶
- DrawChildren = 2¶
- DrawWindowBackground = 1¶
- HLine = 4¶
- IgnoreMask = 4¶
- NoFrame = 0¶
- class PaintDeviceMetric¶
Bases:
int
- Panel = 2¶
- PdmDepth = 6¶
- PdmDevicePixelRatio = 11¶
- PdmDevicePixelRatioScaled = 12¶
- PdmDpiX = 7¶
- PdmDpiY = 8¶
- PdmHeight = 2¶
- PdmHeightMM = 4¶
- PdmNumColors = 5¶
- PdmPhysicalDpiX = 9¶
- PdmPhysicalDpiY = 10¶
- PdmWidth = 1¶
- PdmWidthMM = 3¶
- Plain = 16¶
- Raised = 32¶
- 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)¶
- class Shadow¶
Bases:
int
- Shadow_Mask = 240¶
- class Shape¶
Bases:
int
- Shape_Mask = 15¶
- class StyleMask¶
Bases:
int
- StyledPanel = 6¶
- Sunken = 48¶
- VLine = 5¶
- WinPanel = 3¶
- acceptDrops(self) bool ¶
- accessibleDescription(self) str ¶
- accessibleName(self) str ¶
- actionEvent(self, QActionEvent)¶
- actions(self) List[QAction] ¶
- activateWindow(self)¶
- addAction(self, QAction)¶
- addActions(self, Iterable[QAction])¶
- addStretch()¶
Add stretch to the frame layout.
- addWidget(widget)¶
Add widget to the frame layout.
- Parameters
widget (QWidget) – Widget to place on the layout
- adjustSize(self)¶
- autoFillBackground(self) bool ¶
- backgroundRole(self) QPalette.ColorRole ¶
- baseSize(self) QSize ¶
- blockSignals(self, bool) bool ¶
- changeEvent(self, QEvent)¶
- childAt(self, QPoint) QWidget ¶
- TemplateSelector.childAt(self, int, int) -> QWidget
- childEvent(self, QChildEvent)¶
- children(self) List[QObject] ¶
- childrenRect(self) QRect ¶
- childrenRegion(self) QRegion ¶
- clearFilters()¶
Clear the filters and make all options visible
- 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 ¶
- cursor(self) QCursor ¶
- customContextMenuRequested¶
customContextMenuRequested(self, QPoint) [signal]
- customEvent(self, QEvent)¶
- 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)¶
- drawFrame(self, QPainter)¶
- 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 ¶
- 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 ¶
- frameGeometry(self) QRect ¶
- frameRect(self) QRect ¶
- frameShadow(self) QFrame.Shadow ¶
- frameShape(self) QFrame.Shape ¶
- frameSize(self) QSize ¶
- frameStyle(self) int ¶
- frameWidth(self) int ¶
- geometry(self) QRect ¶
- 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)¶
- inherits(self, str) bool ¶
- initPainter(self, QPainter)¶
- initStyleOption(self, QStyleOptionFrame)¶
- inputMethodEvent(self, QInputMethodEvent)¶
- inputMethodHints(self) Qt.InputMethodHints ¶
- inputMethodQuery(self, Qt.InputMethodQuery) Any ¶
- TemplateSelector.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)¶
- lineWidth(self) int ¶
- 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 ¶
- midLineWidth(self) 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)¶
- TemplateSelector.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.
- 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)¶
- TemplateSelector.repaint(self, int, int, int, int) -> None
- repaint(self, QRect) None
- repaint(self, QRegion) None
- resize(self, QSize)¶
- TemplateSelector.resize(self, int, int) -> None
- resizeEvent(self, QResizeEvent)¶
- restoreGeometry(self, Union[QByteArray, bytes, bytearray]) bool ¶
- saveGeometry(self) QByteArray ¶
- TemplateSelector.scroll(self, int, int)
- TemplateSelector.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)¶
- TemplateSelector.setBaseSize(self, int, int)
- setBaseSize(self, QSize) None ¶
- TemplateSelector.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)¶
- TemplateSelector.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)¶
- setFrameRect(self, QRect)¶
- setFrameShadow(self, QFrame.Shadow)¶
- setFrameShape(self, QFrame.Shape)¶
- setFrameStyle(self, int)¶
- setGeometry(self, QRect)¶
- TemplateSelector.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)¶
- setLineWidth(self, int)¶
- setLocale(self, QLocale)¶
- setMask(self, QBitmap)¶
- setMask(self, QRegion) None
- setMaximumHeight(self, int)¶
- TemplateSelector.setMaximumSize(self, int, int)
- setMaximumSize(self, QSize) None ¶
- setMaximumWidth(self, int)¶
- setMidLineWidth(self, int)¶
- setMinimumHeight(self, int)¶
- TemplateSelector.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)¶
- TemplateSelector.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)¶
- TemplateSelector.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 ¶
- 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
- TemplateSelector.update(self, int, int, int, int) -> None
- updateGeometry(self)¶
- updateMicroFocus(self)¶
- updatesEnabled(self) bool ¶
- 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.application.matsci.builderwidgets.TemplateCombo(*args, **kwargs)[source]¶
Bases:
schrodinger.ui.qt.swidgets.SComboBox
A Combo Box for managing template lists
- silentlySetItems(items)[source]¶
Set the items for the selector without emitting any signals
- Parameters
items (list) – The new items (str) for the combo box
- silentlyTryToSelectText(text)[source]¶
Select the item with the given text and do so without emitting any signals. Also do not give an error if no item with text exists.
- Parameters
text (str) – The text of the item to select
- AdjustToContents = 0¶
- AdjustToContentsOnFirstShow = 1¶
- AdjustToMinimumContentsLength = 2¶
- AdjustToMinimumContentsLengthWithIcon = 3¶
- DrawChildren = 2¶
- DrawWindowBackground = 1¶
- IgnoreMask = 4¶
- InsertAfterCurrent = 4¶
- InsertAlphabetically = 6¶
- InsertAtBottom = 3¶
- InsertAtCurrent = 2¶
- InsertAtTop = 1¶
- InsertBeforeCurrent = 5¶
- class InsertPolicy¶
Bases:
int
- NoInsert = 0¶
- 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)¶
- class SizeAdjustPolicy¶
Bases:
int
- __len__()¶
Return len(self).
- acceptDrops(self) bool ¶
- accessibleDescription(self) str ¶
- accessibleName(self) str ¶
- actionEvent(self, QActionEvent)¶
- actions(self) List[QAction] ¶
- activateWindow(self)¶
- activated¶
activated(self, int) [signal] activated(self, str) [signal]
- addAction(text, callback)¶
Add an “action” menu item. When selected by the user, it will invoke the callback and re-select the previously selected item.
- addActions(self, Iterable[QAction])¶
- addItem(*args, **kwargs)¶
Add given items and emit signals as needed.
- addItems(*args, **kwargs)¶
Add given items and emit signals as needed.
- addItemsFromDict(items)¶
Add items to the combo box from a dictionary of {text: user_data}. Note that setting the order of elements requires a
collections.OrderedDict
- Parameters
items (dict) – A dictionary of {text: user_data} to add to the combo box
- adjustSize(self)¶
- autoFillBackground(self) bool ¶
- backgroundRole(self) QPalette.ColorRole ¶
- baseSize(self) QSize ¶
- blockSignals(self, bool) bool ¶
- changeEvent(self, QEvent)¶
- childAt(self, QPoint) QWidget ¶
- TemplateCombo.childAt(self, int, int) -> QWidget
- childEvent(self, QChildEvent)¶
- children(self) List[QObject] ¶
- childrenRect(self) QRect ¶
- childrenRegion(self) QRegion ¶
- clear(self)¶
- clearEditText(self)¶
- clearFocus(self)¶
- clearMask(self)¶
- close(self) bool ¶
- closeEvent(self, QCloseEvent)¶
- colorCount(self) int ¶
- completer(self) QCompleter ¶
- connectNotify(self, QMetaMethod)¶
- contentsMargins(self) QMargins ¶
- contentsRect(self) QRect ¶
- contextMenuEvent(self, QContextMenuEvent)¶
- contextMenuPolicy(self) Qt.ContextMenuPolicy ¶
- count(self) int ¶
- 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 ¶
- currentData(role=256)¶
Get the user data for the currently selected item
- Parameters
role (int) – The role to retrieve data for
- Returns
The user data
- currentIndex(self) int ¶
- currentIndexChanged¶
- currentString()¶
Obsolete. Use QComboBox.currentText() instead.
- Return type
str
- Returns
The currentText() value of the ComboBox converted to a string
- currentText(self) str ¶
- currentTextChanged¶
currentTextChanged(self, str) [signal]
- cursor(self) QCursor ¶
- customContextMenuRequested¶
customContextMenuRequested(self, QPoint) [signal]
- customEvent(self, QEvent)¶
- 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)¶
- duplicatesEnabled(self) bool ¶
- dynamicPropertyNames(self) List[QByteArray] ¶
- editTextChanged¶
editTextChanged(self, str) [signal]
- effectiveWinId(self) PyQt5.sip.voidptr ¶
- ensurePolished(self)¶
- enterEvent(self, QEvent)¶
- 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]
- findData(self, Any, role: int = Qt.UserRole, flags: Union[Qt.MatchFlags, Qt.MatchFlag] = Qt.MatchExactly | Qt.MatchCaseSensitive) int ¶
- findDataPy(data, role=256)¶
Get the index of the item containing the specified data. Comparisons are done in Python rather than in C++ (as they are in
findData
), so Python types without a direct C++ mapping can be compared correctly.- Parameters
data (object) – The data to search for
role (int) – The role to search
- Raises
ValueError – If the specified data cannot be found
- findText(self, str, flags: Union[Qt.MatchFlags, Qt.MatchFlag] = Qt.MatchExactly | Qt.MatchCaseSensitive) int ¶
- 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] ¶
- 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 ¶
- hasFrame(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)¶
- hidePopup(self)¶
- highlighted¶
highlighted(self, int) [signal] highlighted(self, str) [signal]
- iconSize(self) QSize ¶
- inherits(self, str) bool ¶
- initPainter(self, QPainter)¶
- initStyleOption(self, QStyleOptionComboBox)¶
- inputMethodEvent(self, QInputMethodEvent)¶
- inputMethodHints(self) Qt.InputMethodHints ¶
- inputMethodQuery(self, Qt.InputMethodQuery) Any ¶
- inputMethodQuery(self, Qt.InputMethodQuery, Any) Any
- TemplateCombo.insertAction(self, QAction, QAction)
- insertActions(self, QAction, Iterable[QAction])¶
- insertItem(self, int, str, userData: Any = None)¶
- insertItem(self, int, QIcon, str, userData: Any = None) None
- insertItems(self, int, Iterable[str])¶
- insertPolicy(self) QComboBox.InsertPolicy ¶
- insertSeparator(self, int)¶
- installEventFilter(self, QObject)¶
- isActiveWindow(self) bool ¶
- isAncestorOf(self, QWidget) bool ¶
- isEditable(self) 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 ¶
- itemData(self, int, role: int = Qt.UserRole) Any ¶
- itemDelegate(self) QAbstractItemDelegate ¶
- itemIcon(self, int) QIcon ¶
- itemText(self, int) str ¶
- items()¶
Return the current list of items in the combo box.
- Return type
list
- Returns
the current list of items
- keyPressEvent(event)¶
Ignore Up/Down key press events if any action items are present. In the future, consider re-implementing these handlers; it’s a non- trivial task. See http://code.metager.de/source/xref/lib/qt/src/gui/widgets/qcombobox.cpp#2931
- keyReleaseEvent(self, QKeyEvent)¶
- keyboardGrabber() QWidget ¶
- killTimer(self, int)¶
- layout(self) QLayout ¶
- layoutDirection(self) Qt.LayoutDirection ¶
- leaveEvent(self, QEvent)¶
- lineEdit(self) QLineEdit ¶
- 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 ¶
- maxCount(self) int ¶
- maxVisibleItems(self) int ¶
- maximumHeight(self) int ¶
- maximumSize(self) QSize ¶
- maximumWidth(self) int ¶
- metaObject(self) QMetaObject ¶
- metric(self, QPaintDevice.PaintDeviceMetric) int ¶
- minimumContentsLength(self) int ¶
- minimumHeight(self) int ¶
- minimumSize(self) QSize ¶
- minimumSizeHint(self) QSize ¶
- minimumWidth(self) int ¶
- model(self) QAbstractItemModel ¶
- modelColumn(self) int ¶
- mouseDoubleClickEvent(self, QMouseEvent)¶
- mouseGrabber() QWidget ¶
- mouseMoveEvent(self, QMouseEvent)¶
- mousePressEvent(self, QMouseEvent)¶
- mouseReleaseEvent(self, QMouseEvent)¶
- move(self, QPoint)¶
- TemplateCombo.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.
- raise_(self)¶
- receivers(self, PYQT_SIGNAL) int ¶
- rect(self) QRect ¶
- releaseKeyboard(self)¶
- releaseMouse(self)¶
- releaseShortcut(self, int)¶
- removeAction(self, QAction)¶
- removeEventFilter(self, QObject)¶
- removeItem(self, int)¶
- 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)¶
- TemplateCombo.repaint(self, int, int, int, int) -> None
- repaint(self, QRect) None
- repaint(self, QRegion) None
- reset()¶
Reset the current ComboBox item to the default item.
- resize(self, QSize)¶
- TemplateCombo.resize(self, int, int) -> None
- resizeEvent(self, QResizeEvent)¶
- restoreGeometry(self, Union[QByteArray, bytes, bytearray]) bool ¶
- rootModelIndex(self) QModelIndex ¶
- saveGeometry(self) QByteArray ¶
- TemplateCombo.scroll(self, int, int)
- TemplateCombo.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)¶
- TemplateCombo.setBaseSize(self, int, int)
- setBaseSize(self, QSize) None ¶
- setCompleter(self, QCompleter)¶
- TemplateCombo.setContentsMargins(self, int, int, int, int)
- setContentsMargins(self, QMargins) None ¶
- setContextMenuPolicy(self, Qt.ContextMenuPolicy)¶
- setCurrentData(data, role=256)¶
Select the index with the specified user data
- Parameters
text – The user data to select
role (int) – The role to search
- Raises
ValueError – If the specified data is not found in the combo box
- setCurrentIndex(self, int)¶
- setCurrentText(text)¶
Set the combobox to the item with the supplied text
- Parameters
text (str) – The text of the item to make the current item
- Raise
ValueError if no item with text exists
- setCursor(self, Union[QCursor, Qt.CursorShape])¶
- setDisabled(self, bool)¶
- setDuplicatesEnabled(self, bool)¶
- setEditText(self, str)¶
- setEditable(self, bool)¶
- setEnabled(self, bool)¶
- setFixedHeight(self, int)¶
- setFixedSize(self, QSize)¶
- TemplateCombo.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)¶
- setFrame(self, bool)¶
- setGeometry(self, QRect)¶
- TemplateCombo.setGeometry(self, int, int, int, int) -> None
- setGraphicsEffect(self, QGraphicsEffect)¶
- setHidden(self, bool)¶
- setIconSize(self, QSize)¶
- setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])¶
- setInsertPolicy(self, QComboBox.InsertPolicy)¶
- setItemData(self, int, Any, role: int = Qt.ItemDataRole.UserRole)¶
- setItemDelegate(self, QAbstractItemDelegate)¶
- setItemIcon(self, int, QIcon)¶
- setItemText(self, int, str)¶
- setLayout(self, QLayout)¶
- setLayoutDirection(self, Qt.LayoutDirection)¶
- setLineEdit(self, QLineEdit)¶
- setLocale(self, QLocale)¶
- setMask(self, QBitmap)¶
- setMask(self, QRegion) None
- setMaxCount(self, int)¶
- setMaxVisibleItems(self, int)¶
- setMaximumHeight(self, int)¶
- TemplateCombo.setMaximumSize(self, int, int)
- setMaximumSize(self, QSize) None ¶
- setMaximumWidth(self, int)¶
- setMinimumContentsLength(self, int)¶
- setMinimumHeight(self, int)¶
- TemplateCombo.setMinimumSize(self, int, int)
- setMinimumSize(self, QSize) None ¶
- setMinimumWidth(self, int)¶
- setModel(self, QAbstractItemModel)¶
- setModelColumn(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 ¶
- setRootModelIndex(self, QModelIndex)¶
- setShortcutAutoRepeat(self, int, enabled: bool = True)¶
- setShortcutEnabled(self, int, enabled: bool = True)¶
- setSizeAdjustPolicy(self, QComboBox.SizeAdjustPolicy)¶
- TemplateCombo.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)¶
- TemplateCombo.setTabOrder(QWidget, QWidget)
- setTabletTracking(self, bool)¶
- setToolTip(self, str)¶
- setToolTipDuration(self, int)¶
- setUpdatesEnabled(self, bool)¶
- setValidator(self, QValidator)¶
- setView(self, QAbstractItemView)¶
- 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)¶
- showPopup(self)¶
- signalsBlocked(self) bool ¶
- size(self) QSize ¶
- sizeAdjustPolicy(self) QComboBox.SizeAdjustPolicy ¶
- 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
- TemplateCombo.update(self, int, int, int, int) -> None
- updateGeometry(self)¶
- updateMicroFocus(self)¶
- updatesEnabled(self) bool ¶
- validator(self) QValidator ¶
- view(self) QAbstractItemView ¶
- 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.application.matsci.builderwidgets.TemplateManager(parent, templates, custom_path)[source]¶
Bases:
PyQt5.QtWidgets.QDialog
A dialog that manages the user templates - currently only allows deletion
- customDirChanged¶
- __init__(parent, templates, custom_path)[source]¶
Create a TemplateManager object
- Parameters
parent (QWidget) – The window to display this dialog over
templates (list) – list of template names in the self.parent.custom_path directory
custom_path (str) – The directory where the custom templates are stored
- useDefaultTemplateDirectory()[source]¶
Switch the custom template directory back to the default directory
- Accepted = 1¶
- class DialogCode¶
Bases:
int
- 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¶
- 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)¶
- accept(self)¶
- acceptDrops(self) bool ¶
- 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 ¶
- TemplateManager.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 ¶
- cursor(self) QCursor ¶
- customContextMenuRequested¶
customContextMenuRequested(self, QPoint) [signal]
- customEvent(self, QEvent)¶
- 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)¶
- 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_(self) int ¶
- 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] ¶
- 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)¶
- inherits(self, str) bool ¶
- initPainter(self, QPainter)¶
- inputMethodEvent(self, QInputMethodEvent)¶
- inputMethodHints(self) Qt.InputMethodHints ¶
- inputMethodQuery(self, Qt.InputMethodQuery) Any ¶
- TemplateManager.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 ¶
- 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)¶
- TemplateManager.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]
- open(self)¶
- 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 ¶
- 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)¶
- TemplateManager.repaint(self, int, int, int, int) -> None
- repaint(self, QRect) None
- repaint(self, QRegion) None
- resize(self, QSize)¶
- TemplateManager.resize(self, int, int) -> None
- resizeEvent(self, QResizeEvent)¶
- restoreGeometry(self, Union[QByteArray, bytes, bytearray]) bool ¶
- result(self) int ¶
- saveGeometry(self) QByteArray ¶
- TemplateManager.scroll(self, int, int)
- TemplateManager.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)¶
- TemplateManager.setBaseSize(self, int, int)
- setBaseSize(self, QSize) None ¶
- TemplateManager.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)¶
- TemplateManager.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)¶
- TemplateManager.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)¶
- TemplateManager.setMaximumSize(self, int, int)
- setMaximumSize(self, QSize) None ¶
- setMaximumWidth(self, int)¶
- setMinimumHeight(self, int)¶
- TemplateManager.setMinimumSize(self, int, int)
- setMinimumSize(self, QSize) None ¶
- setMinimumWidth(self, int)¶
- setModal(self, bool)¶
- 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 ¶
- setResult(self, int)¶
- setShortcutAutoRepeat(self, int, enabled: bool = True)¶
- setShortcutEnabled(self, int, enabled: bool = True)¶
- setSizeGripEnabled(self, bool)¶
- TemplateManager.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)¶
- TemplateManager.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 ¶
- 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
- TemplateManager.update(self, int, int, int, int) -> None
- updateGeometry(self)¶
- updateMicroFocus(self)¶
- updatesEnabled(self) bool ¶
- 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.application.matsci.builderwidgets.SketcherStructureMixin[source]¶
Bases:
object
Contains some general use methods for getting a ligand structure from the 2D sketcher
- changeMarkerAtomsToTempElement(struct, rx_atoms=None)[source]¶
Change all the marker atoms in the structure to a specific element
- Parameters
struct (
schrodinger.structure.Structure
) – The structure to modifyrx_atoms (dict) – A dictionary with keys that are the x value for Rx atoms and values that are lists of atom indexes with that x value. If not supplied, the Rx atoms will be found from structure properties.
- getSketcherStructure(quiet_if_empty=False)[source]¶
Get the structure from the sketcher and set it up for use as a Ligand
- Performs the following manipulations:
Stores the index of the R1/R2 marker atoms as structure properties
Changes R1/R2 to hydrogen atoms
Checks to ensure consistent use of Rx in the structure
- Parameters
quiet_if_empty (bool) – If True, do not post a warning if the sketcher contains no structure
- Return type
schrodinger.structure.Structure
or None- Returns
The structure object from the sketcher, or None if an error occured along the way
- getRxAtoms()[source]¶
Find the atoms marked as R groups in the sketcher structure
- Return type
(dict, int)
- Returns
dict keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based). The int return value is the largest value of x in the dictionary keys.
- validateRAtomIdentity(rx_atoms, max_x)[source]¶
Overwrite in a child class to run validation on the values of the R atoms and error code. An error message should be displayed to the user by this method if appropriate
- Parameters
rx_atoms (dict) – keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based)
max_x (int) – The larget value of x in the keys of rx_atoms
- Return type
bool
- Returns
True if everything is OK, False if not
- validateRAtomStructure(struct, rx_atoms, max_x)[source]¶
Overwrite in a child class to run validation on the R atoms that requires a
schrodinger.structure.Structure
object. An error message should be displayed to the user by this method if appropriate.- Parameters
struct (
schrodinger.structure.Structure
) – The structure to use for validating the Ra atomsrx_atoms (dict) – keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based)
max_x (int) – The larget value of x in the keys of rx_atoms
- Return type
bool
- Returns
True if everything is OK, False if not
- class schrodinger.application.matsci.builderwidgets.MinimizeMixin[source]¶
Bases:
object
Methods to convert a 2D structure to a 3D structure and minimize it
- class schrodinger.application.matsci.builderwidgets.TemplateNameDialog(master, user_accept_function=None, standard_buttons=None, nonstandard_buttons=None, help_topic='', title=None)[source]¶
Bases:
schrodinger.ui.qt.swidgets.SDialog
A dialog to get a template name (or any name that forms a file name)
- classmethod getText(master, title='Template Name')[source]¶
Open an instance of the dialog and return the result
- Return type
str
- Returns
The specified filename. A blank string is returned if the user cancelled.
- Accepted = 1¶
- class DialogCode¶
Bases:
int
- 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¶
- 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)¶
- __init__(master, user_accept_function=None, standard_buttons=None, nonstandard_buttons=None, help_topic='', title=None)¶
Creat an SDialog object
- Parameters
master (QWidget) – The parent of this dialog
user_accept_function (callable) – A function to call from a custom accept method implemented in a subclass
standard_buttons (list) – List of standard buttons to add - each item must be a QDialogButtonBox.StandardButton constant (i.e. QDialogButtonBox.Ok). The default if no standard buttons or non-standard buttons are provided is Ok and Cancel.
nonstandard_buttons (list of (QPushButton, QDialogButtonBox.ButtonRole) tuples) – Each item of the list is a tuple containing an existing button and a ButtonRole such as AcceptRole. The default if no standard buttons or non-standard buttons are provided is Ok and Cancel buttons.
help_topic (str) – The help topic for this panel. If the help topic is provided a help button will automatically be added to the panel.
title (str) – The dialog window title
- acceptDrops(self) bool ¶
- 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 ¶
- TemplateNameDialog.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 ¶
- cursor(self) QCursor ¶
- customContextMenuRequested¶
customContextMenuRequested(self, QPoint) [signal]
- customEvent(self, QEvent)¶
- 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)¶
- 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)¶
- error(msg)¶
Display an error dialog with a message
- Parameters
msg (str) – The message to display in the error dialog
- event(self, QEvent) bool ¶
- eventFilter(self, QObject, QEvent) bool ¶
- exec(self) int ¶
- exec_(self) int ¶
- 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] ¶
- giveHelp()¶
Display the help topic for this dialog
- 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(msg)¶
Display an information dialog with a message
- Parameters
msg (str) – The message to display in the information dialog
- inherits(self, str) bool ¶
- initPainter(self, QPainter)¶
- inputMethodEvent(self, QInputMethodEvent)¶
- inputMethodHints(self) Qt.InputMethodHints ¶
- inputMethodQuery(self, Qt.InputMethodQuery) Any ¶
- TemplateNameDialog.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 ¶
- 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)¶
- TemplateNameDialog.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]
- open(self)¶
- 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(msg, button1='OK', button2='Cancel')¶
Display a question dialog with a message Returns True if first button (default OK) is pressed, False otherwise.
- Parameters
msg (str) – The message to display in the question dialog
button1 (str) – The text to display on first button
button2 (str) – The text to display on second button
- raise_(self)¶
- receivers(self, PYQT_SIGNAL) int ¶
- rect(self) QRect ¶
- 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)¶
- TemplateNameDialog.repaint(self, int, int, int, int) -> None
- repaint(self, QRect) None
- repaint(self, QRegion) None
- reset()¶
Reset the panel when the Reset button is pressed. Must be re-implemented in a subclass
- resize(self, QSize)¶
- TemplateNameDialog.resize(self, int, int) -> None
- resizeEvent(self, QResizeEvent)¶
- restoreGeometry(self, Union[QByteArray, bytes, bytearray]) bool ¶
- result(self) int ¶
- saveGeometry(self) QByteArray ¶
- TemplateNameDialog.scroll(self, int, int)
- TemplateNameDialog.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)¶
- TemplateNameDialog.setBaseSize(self, int, int)
- setBaseSize(self, QSize) None ¶
- TemplateNameDialog.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)¶
- TemplateNameDialog.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)¶
- TemplateNameDialog.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)¶
- TemplateNameDialog.setMaximumSize(self, int, int)
- setMaximumSize(self, QSize) None ¶
- setMaximumWidth(self, int)¶
- setMinimumHeight(self, int)¶
- TemplateNameDialog.setMinimumSize(self, int, int)
- setMinimumSize(self, QSize) None ¶
- setMinimumWidth(self, int)¶
- setModal(self, bool)¶
- 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 ¶
- setResult(self, int)¶
- setShortcutAutoRepeat(self, int, enabled: bool = True)¶
- setShortcutEnabled(self, int, enabled: bool = True)¶
- setSizeGripEnabled(self, bool)¶
- TemplateNameDialog.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)¶
- TemplateNameDialog.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 ¶
- 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
- TemplateNameDialog.update(self, int, int, int, int) -> None
- updateGeometry(self)¶
- updateMicroFocus(self)¶
- updatesEnabled(self) bool ¶
- visibleRegion(self) QRegion ¶
- warning(msg)¶
Display a warning dialog with a message
- Parameters
msg (str) – The message to display in the warning dialog
- 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.application.matsci.builderwidgets.SketcherBox(master, builtin_path, custom_dirname, layout, add_custom_template=True, single_rx_atom=False)[source]¶
Bases:
schrodinger.application.matsci.builderwidgets.SketcherStructureMixin
,schrodinger.ui.qt.swidgets.SFrame
Set of widgets that controls a 2D sketcher and has additional widgets that allow the user to load/save/delete templates for the sketcher and import structures from the workspace into the sketcher.
- templatesUpdated¶
- __init__(master, builtin_path, custom_dirname, layout, add_custom_template=True, single_rx_atom=False)[source]¶
Create a SketcherBox instance
- Parameters
master (QWidget) – Must have a warning method
builtin_path (str) – The absolute path to the built-in templates
custom_dirname (str) – The base name of the path to the custom templates
layout (QBoxLayout) – The layout to place this widget into
add_custom_template (bool) – Whether “Custom” template should be allowed in template list
single_rx_atom (bool) – If True, there can only be one single rx atom
- filterTemplates()[source]¶
Filter templates based on whether single rx atom is requested.
- Returns
valid templates
- Return type
list
- setCustomTemplateDir(path)[source]¶
The user changed the custom template directory
- Parameters
path (str) – The new custom directory path. Use the module constant RESET_TO_DEFAULT_CUSTOM_DIR to reset to the Schrodinger default
- getRecentTemplatePath()[source]¶
Get the path to the recent template file
- Return type
str
- Returns
The path to the recent template file
- buildTemplateList(select='')[source]¶
Build a list of all templates - built in or user-defined. This list is stored in self.templates and replaces the current list in the Template Combobox.
- Parameters
select (str) – The template that should be selected in the Template Combobox when all is said and done.
- getUserTemplateList()[source]¶
Get the list of user templates
- Return type
list
- Returns
list of template names in the self.custom_path
- getRecentTemplatesList()[source]¶
Get a list of recently used templates.
- Return type
list of str
- Returns
Items of the list are the names of recently used templates. The list is sorted in order from most to least recently used.
- updateRecentTemplateFile(name)[source]¶
Add a template as the most recently used template file.
- Parameters
name (str) – The name of the most recently used template - should correspond to the name of the template structure file.
- readTemplateStructure(name)[source]¶
Read in a template file based name. The file name read is name + TEMPLATE_EXTENSION.
- Parameters
name (str) – The base name of the template file without the extension
- Return type
- Returns
The structure that was read in
- loadTemplate(template_index)[source]¶
Load a template into the sketcher
- Parameters
template_index (int) – The index in the templates list of the template to load
- setAtomRNumbers(struct, rx_atoms)[source]¶
Set the Rnumbers based on the structure with Hydrogen atoms and the corresponding atom indexes marked with that Rx value.
- Parameters
struct (structure.Structure) – a monomer structure
rx_atoms (dict) – keys are Rx x values and values are lists of atom indexes marked with that Rx value
- getSketcherImportSettings()[source]¶
Returns sketcher import structure settings. :rtype: sketcher.sketcherImportStructureSettings :return: sketcher import structure settings for panel usage
- setSketcherStructure(struct, rm_polymer_prop=True)[source]¶
Set struct as the structure in the sketcher
- Parameters
struct (structure.Structure) – the structure to be placed in the 2D sketcher
rm_polymer_prop (bool) – remove the s_matsci_polymer_role property for each atom, if True
- Box = 1¶
- DrawChildren = 2¶
- DrawWindowBackground = 1¶
- HLine = 4¶
- IgnoreMask = 4¶
- NoFrame = 0¶
- class PaintDeviceMetric¶
Bases:
int
- Panel = 2¶
- PdmDepth = 6¶
- PdmDevicePixelRatio = 11¶
- PdmDevicePixelRatioScaled = 12¶
- PdmDpiX = 7¶
- PdmDpiY = 8¶
- PdmHeight = 2¶
- PdmHeightMM = 4¶
- PdmNumColors = 5¶
- PdmPhysicalDpiX = 9¶
- PdmPhysicalDpiY = 10¶
- PdmWidth = 1¶
- PdmWidthMM = 3¶
- Plain = 16¶
- Raised = 32¶
- 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)¶
- class Shadow¶
Bases:
int
- Shadow_Mask = 240¶
- class Shape¶
Bases:
int
- Shape_Mask = 15¶
- class StyleMask¶
Bases:
int
- StyledPanel = 6¶
- Sunken = 48¶
- VLine = 5¶
- WinPanel = 3¶
- acceptDrops(self) bool ¶
- accessibleDescription(self) str ¶
- accessibleName(self) str ¶
- actionEvent(self, QActionEvent)¶
- actions(self) List[QAction] ¶
- activateWindow(self)¶
- addAction(self, QAction)¶
- addActions(self, Iterable[QAction])¶
- addStretch()¶
Add stretch to the frame layout.
- addWidget(widget)¶
Add widget to the frame layout.
- Parameters
widget (QWidget) – Widget to place on the layout
- adjustSize(self)¶
- autoFillBackground(self) bool ¶
- backgroundRole(self) QPalette.ColorRole ¶
- baseSize(self) QSize ¶
- blockSignals(self, bool) bool ¶
- changeEvent(self, QEvent)¶
- changeMarkerAtomsToTempElement(struct, rx_atoms=None)¶
Change all the marker atoms in the structure to a specific element
- Parameters
struct (
schrodinger.structure.Structure
) – The structure to modifyrx_atoms (dict) – A dictionary with keys that are the x value for Rx atoms and values that are lists of atom indexes with that x value. If not supplied, the Rx atoms will be found from structure properties.
- childAt(self, QPoint) QWidget ¶
- SketcherBox.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 ¶
- cursor(self) QCursor ¶
- customContextMenuRequested¶
customContextMenuRequested(self, QPoint) [signal]
- customEvent(self, QEvent)¶
- 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)¶
- drawFrame(self, QPainter)¶
- 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 ¶
- 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 ¶
- frameGeometry(self) QRect ¶
- frameRect(self) QRect ¶
- frameShadow(self) QFrame.Shadow ¶
- frameShape(self) QFrame.Shape ¶
- frameSize(self) QSize ¶
- frameStyle(self) int ¶
- frameWidth(self) int ¶
- geometry(self) QRect ¶
- getContentsMargins(self) Tuple[int, int, int, int] ¶
- getRxAtoms()¶
Find the atoms marked as R groups in the sketcher structure
- Return type
(dict, int)
- Returns
dict keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based). The int return value is the largest value of x in the dictionary keys.
- getSketcherStructure(quiet_if_empty=False)¶
Get the structure from the sketcher and set it up for use as a Ligand
- Performs the following manipulations:
Stores the index of the R1/R2 marker atoms as structure properties
Changes R1/R2 to hydrogen atoms
Checks to ensure consistent use of Rx in the structure
- Parameters
quiet_if_empty (bool) – If True, do not post a warning if the sketcher contains no structure
- Return type
schrodinger.structure.Structure
or None- Returns
The structure object from the sketcher, or None if an error occured along the way
- 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)¶
- inherits(self, str) bool ¶
- initPainter(self, QPainter)¶
- initStyleOption(self, QStyleOptionFrame)¶
- inputMethodEvent(self, QInputMethodEvent)¶
- inputMethodHints(self) Qt.InputMethodHints ¶
- inputMethodQuery(self, Qt.InputMethodQuery) Any ¶
- SketcherBox.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)¶
- lineWidth(self) int ¶
- 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 ¶
- midLineWidth(self) 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)¶
- SketcherBox.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.
- 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)¶
- SketcherBox.repaint(self, int, int, int, int) -> None
- repaint(self, QRect) None
- repaint(self, QRegion) None
- resize(self, QSize)¶
- SketcherBox.resize(self, int, int) -> None
- resizeEvent(self, QResizeEvent)¶
- restoreGeometry(self, Union[QByteArray, bytes, bytearray]) bool ¶
- saveGeometry(self) QByteArray ¶
- SketcherBox.scroll(self, int, int)
- SketcherBox.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)¶
- SketcherBox.setBaseSize(self, int, int)
- setBaseSize(self, QSize) None ¶
- SketcherBox.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)¶
- SketcherBox.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)¶
- setFrameRect(self, QRect)¶
- setFrameShadow(self, QFrame.Shadow)¶
- setFrameShape(self, QFrame.Shape)¶
- setFrameStyle(self, int)¶
- setGeometry(self, QRect)¶
- SketcherBox.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)¶
- setLineWidth(self, int)¶
- setLocale(self, QLocale)¶
- setMask(self, QBitmap)¶
- setMask(self, QRegion) None
- setMaximumHeight(self, int)¶
- SketcherBox.setMaximumSize(self, int, int)
- setMaximumSize(self, QSize) None ¶
- setMaximumWidth(self, int)¶
- setMidLineWidth(self, int)¶
- setMinimumHeight(self, int)¶
- SketcherBox.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)¶
- SketcherBox.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)¶
- SketcherBox.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 ¶
- 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
- SketcherBox.update(self, int, int, int, int) -> None
- updateGeometry(self)¶
- updateMicroFocus(self)¶
- updatesEnabled(self) bool ¶
- validateRAtomIdentity(rx_atoms, max_x)¶
Overwrite in a child class to run validation on the values of the R atoms and error code. An error message should be displayed to the user by this method if appropriate
- Parameters
rx_atoms (dict) – keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based)
max_x (int) – The larget value of x in the keys of rx_atoms
- Return type
bool
- Returns
True if everything is OK, False if not
- validateRAtomStructure(struct, rx_atoms, max_x)¶
Overwrite in a child class to run validation on the R atoms that requires a
schrodinger.structure.Structure
object. An error message should be displayed to the user by this method if appropriate.- Parameters
struct (
schrodinger.structure.Structure
) – The structure to use for validating the Ra atomsrx_atoms (dict) – keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based)
max_x (int) – The larget value of x in the keys of rx_atoms
- Return type
bool
- Returns
True if everything is OK, False if not
- 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.application.matsci.builderwidgets.ItemRow(master, row_layout, item_type, unset_tip)[source]¶
Bases:
schrodinger.application.matsci.builderwidgets.MinimizeMixin
,schrodinger.ui.qt.swidgets.SFrame
A row of control widgets for a ligand
- __init__(master, row_layout, item_type, unset_tip)[source]¶
Create a ItemRow instance
- Parameters
master (
schrodinger.ui.qt.appframework.AppFramework
) – The parent panel for this row. Must have the following methods: deleteRow, setWaitCursor, restoreCursorrow_layout (QLayout) – The layout this ItemRow should add itself to
item_type (str) – A string describing the type of item this row is, such as “ligand” - this will be displayed to the user in labels and tooltips. Use the lowercase form of the word - it will be capitalized when necessary.
unset_tip (str) – The tooltip for the label when no structure has been set.
- getMolecularFormula()[source]¶
Compute a molecular formula without the marker atoms
- Return type
str
- Returns
The Hill-type molecular formula (minus marker atoms)
- prepareStructureForMinimization()[source]¶
Prepare the structure for minimization. The default implementation just changes the marker atoms to H atoms.
- postTreatMinimizedStructure(marker_element='Br')[source]¶
Perform any necessary actions on a just-minimized structure, perhaps undoing some of the prep done by prepareStructureForMinimization. The default changes the marker atoms back to TEMP_ELEMENT atoms.
- Parameters
marker_element (str) – The element to change the marker atom to (the atom that marks the attachment point and is discarded when the structure is added to a larger structure)
- modifyMinimizer(mizer)[source]¶
This method allows subclasses to customize the Minimizer in any way they see fit. The structure has already been set for the Minimizer and is a temporary copy of self.structure.
- Parameters
mizer (schrodinger.structutils.minimizer.Minimizer) – The Minimizer object that will minimize the structure.
- removeFFProperties()[source]¶
Remove any properties set on structure from force field minimization so that those properties don’t propagate to any structure built from this structure.
- setStructure()[source]¶
Set the structure for this row. Including: - Find the marker atoms - optimize ligand structure for best complex binding
- Box = 1¶
- DrawChildren = 2¶
- DrawWindowBackground = 1¶
- HLine = 4¶
- IgnoreMask = 4¶
- NoFrame = 0¶
- class PaintDeviceMetric¶
Bases:
int
- Panel = 2¶
- PdmDepth = 6¶
- PdmDevicePixelRatio = 11¶
- PdmDevicePixelRatioScaled = 12¶
- PdmDpiX = 7¶
- PdmDpiY = 8¶
- PdmHeight = 2¶
- PdmHeightMM = 4¶
- PdmNumColors = 5¶
- PdmPhysicalDpiX = 9¶
- PdmPhysicalDpiY = 10¶
- PdmWidth = 1¶
- PdmWidthMM = 3¶
- Plain = 16¶
- Raised = 32¶
- 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)¶
- class Shadow¶
Bases:
int
- Shadow_Mask = 240¶
- class Shape¶
Bases:
int
- Shape_Mask = 15¶
- class StyleMask¶
Bases:
int
- StyledPanel = 6¶
- Sunken = 48¶
- VLine = 5¶
- WinPanel = 3¶
- acceptDrops(self) bool ¶
- accessibleDescription(self) str ¶
- accessibleName(self) str ¶
- actionEvent(self, QActionEvent)¶
- actions(self) List[QAction] ¶
- activateWindow(self)¶
- addAction(self, QAction)¶
- addActions(self, Iterable[QAction])¶
- addStretch()¶
Add stretch to the frame layout.
- addWidget(widget)¶
Add widget to the frame layout.
- Parameters
widget (QWidget) – Widget to place on the layout
- adjustSize(self)¶
- autoFillBackground(self) bool ¶
- backgroundRole(self) QPalette.ColorRole ¶
- baseSize(self) QSize ¶
- blockSignals(self, bool) bool ¶
- changeEvent(self, QEvent)¶
- childAt(self, QPoint) QWidget ¶
- ItemRow.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 ¶
- convert2DTo3DAndMinimize()¶
Minimize the structure, converting from 2D to 3D first if necessary
- 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)¶
- 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)¶
- drawFrame(self, QPainter)¶
- 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 ¶
- find(PyQt5.sip.voidptr) QWidget ¶
- findAttachmentMarkers()¶
Find the atoms that mark attachment points. The index of each marker atom is stored in self.markers in ascending order of Rx value.
- 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 ¶
- frameRect(self) QRect ¶
- frameShadow(self) QFrame.Shadow ¶
- frameShape(self) QFrame.Shape ¶
- frameSize(self) QSize ¶
- frameStyle(self) int ¶
- frameWidth(self) int ¶
- 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)¶
- inherits(self, str) bool ¶
- initPainter(self, QPainter)¶
- initStyleOption(self, QStyleOptionFrame)¶
- inputMethodEvent(self, QInputMethodEvent)¶
- inputMethodHints(self) Qt.InputMethodHints ¶
- inputMethodQuery(self, Qt.InputMethodQuery) Any ¶
- ItemRow.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)¶
- lineWidth(self) int ¶
- 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 ¶
- midLineWidth(self) 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)¶
- ItemRow.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.
- 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)¶
- ItemRow.repaint(self, int, int, int, int) -> None
- repaint(self, QRect) None
- repaint(self, QRegion) None
- resize(self, QSize)¶
- ItemRow.resize(self, int, int) -> None
- resizeEvent(self, QResizeEvent)¶
- restoreGeometry(self, Union[QByteArray, bytes, bytearray]) bool ¶
- saveGeometry(self) QByteArray ¶
- ItemRow.scroll(self, int, int)
- ItemRow.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)¶
- ItemRow.setBaseSize(self, int, int)
- setBaseSize(self, QSize) None ¶
- ItemRow.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)¶
- ItemRow.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)¶
- setFrameRect(self, QRect)¶
- setFrameShadow(self, QFrame.Shadow)¶
- setFrameShape(self, QFrame.Shape)¶
- setFrameStyle(self, int)¶
- setGeometry(self, QRect)¶
- ItemRow.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)¶
- setLineWidth(self, int)¶
- setLocale(self, QLocale)¶
- setMask(self, QBitmap)¶
- setMask(self, QRegion) None
- setMaximumHeight(self, int)¶
- ItemRow.setMaximumSize(self, int, int)
- setMaximumSize(self, QSize) None ¶
- setMaximumWidth(self, int)¶
- setMidLineWidth(self, int)¶
- setMinimumHeight(self, int)¶
- ItemRow.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)¶
- ItemRow.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)¶
- ItemRow.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 ¶
- 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
- ItemRow.update(self, int, int, int, int) -> None
- updateGeometry(self)¶
- updateMicroFocus(self)¶
- updatesEnabled(self) bool ¶
- 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.application.matsci.builderwidgets.StructureLabel(master, layout, unset_tooltip, unset_text='Not set', prefix='', suffix='')[source]¶
Bases:
schrodinger.ui.qt.swidgets.SLabel
A label that gives information about the ligand for a given row and shows the set structure in a tooltip.
- __init__(master, layout, unset_tooltip, unset_text='Not set', prefix='', suffix='')[source]¶
Create a StructureLabel instance
- Parameters
master (
ItemRow
) – The ItemRow object this label is forlayout (QBoxLayout) – The layout this label should add itself to
unset_tooltip (str) – The tooltip to display if no structure has been set.
unset_text (str) – The text to display in the label if no structure has been set
prefix (str) – The text to put before the molecular formula
suffix (str) – The text to put after the molecular formula
- set(struct, prefix=None, suffix=None)[source]¶
Change the text & tooltip to indicate there is a ligand set
- Parameters
struct (
schrodinger.structure.Structure
) – The structure that is set for this rowprefix (str) – A string to add before the molecular formala - if not given, the default prefix set in the __init__ method is used.
suffix (str) – A string to add after the molecular formala - if not given, the default suffix set in the __init__ method is used.
- event(event)[source]¶
Override event to make the structure tooltip work
- Parameters
event (QEvent) – The QEvent object generated by this event
- Return type
bool
- Returns
Whether the event was recognized
- leaveEvent(event)[source]¶
Removes the structure tooltip if necessary when the mouse leaves the widget.
- Parameters
event (QEvent) – The QEvent object generated by this event
- Box = 1¶
- DrawChildren = 2¶
- DrawWindowBackground = 1¶
- HLine = 4¶
- IgnoreMask = 4¶
- NoFrame = 0¶
- class PaintDeviceMetric¶
Bases:
int
- Panel = 2¶
- PdmDepth = 6¶
- PdmDevicePixelRatio = 11¶
- PdmDevicePixelRatioScaled = 12¶
- PdmDpiX = 7¶
- PdmDpiY = 8¶
- PdmHeight = 2¶
- PdmHeightMM = 4¶
- PdmNumColors = 5¶
- PdmPhysicalDpiX = 9¶
- PdmPhysicalDpiY = 10¶
- PdmWidth = 1¶
- PdmWidthMM = 3¶
- Plain = 16¶
- Raised = 32¶
- 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)¶
- class Shadow¶
Bases:
int
- Shadow_Mask = 240¶
- class Shape¶
Bases:
int
- Shape_Mask = 15¶
- class StyleMask¶
Bases:
int
- StyledPanel = 6¶
- Sunken = 48¶
- VLine = 5¶
- WinPanel = 3¶
- acceptDrops(self) bool ¶
- accessibleDescription(self) str ¶
- accessibleName(self) str ¶
- actionEvent(self, QActionEvent)¶
- actions(self) List[QAction] ¶
- activateWindow(self)¶
- addAction(self, QAction)¶
- addActions(self, Iterable[QAction])¶
- adjustSize(self)¶
- alignment(self) Qt.Alignment ¶
- autoFillBackground(self) bool ¶
- backgroundRole(self) QPalette.ColorRole ¶
- baseSize(self) QSize ¶
- blockSignals(self, bool) bool ¶
- buddy(self) QWidget ¶
- changeEvent(self, QEvent)¶
- childAt(self, QPoint) QWidget ¶
- StructureLabel.childAt(self, int, int) -> QWidget
- childEvent(self, QChildEvent)¶
- children(self) List[QObject] ¶
- childrenRect(self) QRect ¶
- childrenRegion(self) QRegion ¶
- clear(self)¶
- 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 ¶
- cursor(self) QCursor ¶
- customContextMenuRequested¶
customContextMenuRequested(self, QPoint) [signal]
- customEvent(self, QEvent)¶
- 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)¶
- drawFrame(self, QPainter)¶
- dropEvent(self, QDropEvent)¶
- dumpObjectInfo(self)¶
- dumpObjectTree(self)¶
- dynamicPropertyNames(self) List[QByteArray] ¶
- effectiveWinId(self) PyQt5.sip.voidptr ¶
- ensurePolished(self)¶
- enterEvent(self, QEvent)¶
- 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 ¶
- frameGeometry(self) QRect ¶
- frameRect(self) QRect ¶
- frameShadow(self) QFrame.Shadow ¶
- frameShape(self) QFrame.Shape ¶
- frameSize(self) QSize ¶
- frameStyle(self) int ¶
- frameWidth(self) int ¶
- geometry(self) QRect ¶
- 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 ¶
- hasScaledContents(self) bool ¶
- hasSelectedText(self) bool ¶
- hasTabletTracking(self) bool ¶
- height(self) int ¶
- heightForWidth(self, int) int ¶
- heightMM(self) int ¶
- hide(self)¶
- hideEvent(self, QHideEvent)¶
- indent(self) int ¶
- inherits(self, str) bool ¶
- initPainter(self, QPainter)¶
- initStyleOption(self, QStyleOptionFrame)¶
- inputMethodEvent(self, QInputMethodEvent)¶
- inputMethodHints(self) Qt.InputMethodHints ¶
- inputMethodQuery(self, Qt.InputMethodQuery) Any ¶
- StructureLabel.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 ¶
- lineWidth(self) int ¶
- linkActivated¶
linkActivated(self, str) [signal]
- linkHovered¶
linkHovered(self, str) [signal]
- 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 ¶
- margin(self) int ¶
- mask(self) QRegion ¶
- maximumHeight(self) int ¶
- maximumSize(self) QSize ¶
- maximumWidth(self) int ¶
- metaObject(self) QMetaObject ¶
- metric(self, QPaintDevice.PaintDeviceMetric) int ¶
- midLineWidth(self) 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)¶
- StructureLabel.move(self, int, int) -> None
- moveEvent(self, QMoveEvent)¶
- moveToThread(self, QThread)¶
- movie(self) QMovie ¶
- 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]
- openExternalLinks(self) bool ¶
- 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 ¶
- picture(self) QPicture ¶
- pixmap(self) QPixmap ¶
- 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 ¶
- 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)¶
- StructureLabel.repaint(self, int, int, int, int) -> None
- repaint(self, QRect) None
- repaint(self, QRegion) None
- reset()¶
Reset the label to its original text
- resize(self, QSize)¶
- StructureLabel.resize(self, int, int) -> None
- resizeEvent(self, QResizeEvent)¶
- restoreGeometry(self, Union[QByteArray, bytes, bytearray]) bool ¶
- saveGeometry(self) QByteArray ¶
- StructureLabel.scroll(self, int, int)
- StructureLabel.scroll(self, int, int, QRect) -> None
- selectedText(self) str ¶
- selectionStart(self) int ¶
- sender(self) QObject ¶
- senderSignalIndex(self) int ¶
- setAcceptDrops(self, bool)¶
- setAccessibleDescription(self, str)¶
- setAccessibleName(self, str)¶
- setAlignment(self, Union[Qt.Alignment, Qt.AlignmentFlag])¶
- setAttribute(self, Qt.WidgetAttribute, on: bool = True)¶
- setAutoFillBackground(self, bool)¶
- setBackgroundRole(self, QPalette.ColorRole)¶
- StructureLabel.setBaseSize(self, int, int)
- setBaseSize(self, QSize) None ¶
- setBuddy(self, QWidget)¶
- StructureLabel.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)¶
- StructureLabel.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)¶
- setFrameRect(self, QRect)¶
- setFrameShadow(self, QFrame.Shadow)¶
- setFrameShape(self, QFrame.Shape)¶
- setFrameStyle(self, int)¶
- setGeometry(self, QRect)¶
- StructureLabel.setGeometry(self, int, int, int, int) -> None
- setGraphicsEffect(self, QGraphicsEffect)¶
- setHidden(self, bool)¶
- setIndent(self, int)¶
- setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])¶
- setLayout(self, QLayout)¶
- setLayoutDirection(self, Qt.LayoutDirection)¶
- setLineWidth(self, int)¶
- setLocale(self, QLocale)¶
- setMargin(self, int)¶
- setMask(self, QBitmap)¶
- setMask(self, QRegion) None
- setMaximumHeight(self, int)¶
- StructureLabel.setMaximumSize(self, int, int)
- setMaximumSize(self, QSize) None ¶
- setMaximumWidth(self, int)¶
- setMidLineWidth(self, int)¶
- setMinimumHeight(self, int)¶
- StructureLabel.setMinimumSize(self, int, int)
- setMinimumSize(self, QSize) None ¶
- setMinimumWidth(self, int)¶
- setMouseTracking(self, bool)¶
- setMovie(self, QMovie)¶
- setNum(self, float)¶
- setNum(self, int) None
- setObjectName(self, str)¶
- setOpenExternalLinks(self, bool)¶
- setPalette(self, QPalette)¶
- setParent(self, QWidget)¶
- setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType]) None
- setPicture(self, QPicture)¶
- setPixmap(self, QPixmap)¶
- setProperty(self, str, Any) bool ¶
- setScaledContents(self, bool)¶
- StructureLabel.setSelection(self, int, int)
- setShortcutAutoRepeat(self, int, enabled: bool = True)¶
- setShortcutEnabled(self, int, enabled: bool = True)¶
- StructureLabel.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)¶
- StructureLabel.setTabOrder(QWidget, QWidget)
- setTabletTracking(self, bool)¶
- setText(self, str)¶
- setTextFormat(self, Qt.TextFormat)¶
- setTextInteractionFlags(self, Union[Qt.TextInteractionFlags, Qt.TextInteractionFlag])¶
- 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)¶
- setWordWrap(self, bool)¶
- 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 ¶
- style(self) QStyle ¶
- styleSheet(self) str ¶
- tabletEvent(self, QTabletEvent)¶
- testAttribute(self, Qt.WidgetAttribute) bool ¶
- text(self) str ¶
- textFormat(self) Qt.TextFormat ¶
- textInteractionFlags(self) Qt.TextInteractionFlags ¶
- 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
- StructureLabel.update(self, int, int, int, int) -> None
- updateGeometry(self)¶
- updateMicroFocus(self)¶
- updatesEnabled(self) bool ¶
- 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 ¶
- wordWrap(self) bool ¶
- x(self) int ¶
- y(self) int ¶
- class schrodinger.application.matsci.builderwidgets.RGroupStructureToolTip(struct)[source]¶
Bases:
schrodinger.ui.qt.structure2d.StructureToolTip
A structure tooltip that displays Rx labels for the Rx atoms
- __init__(struct)[source]¶
Create an RGroupStructureToolTip instance
- Parameters
struct (
schrodinger.structure.Structure
) – The structure to display
- Box = 1¶
- DrawChildren = 2¶
- DrawWindowBackground = 1¶
- HLine = 4¶
- IgnoreMask = 4¶
- NoFrame = 0¶
- class PaintDeviceMetric¶
Bases:
int
- Panel = 2¶
- PdmDepth = 6¶
- PdmDevicePixelRatio = 11¶
- PdmDevicePixelRatioScaled = 12¶
- PdmDpiX = 7¶
- PdmDpiY = 8¶
- PdmHeight = 2¶
- PdmHeightMM = 4¶
- PdmNumColors = 5¶
- PdmPhysicalDpiX = 9¶
- PdmPhysicalDpiY = 10¶
- PdmWidth = 1¶
- PdmWidthMM = 3¶
- Plain = 16¶
- Raised = 32¶
- 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)¶
- class Shadow¶
Bases:
int
- Shadow_Mask = 240¶
- class Shape¶
Bases:
int
- Shape_Mask = 15¶
- class StyleMask¶
Bases:
int
- StyledPanel = 6¶
- Sunken = 48¶
- VLine = 5¶
- WinPanel = 3¶
- acceptDrops(self) bool ¶
- accessibleDescription(self) str ¶
- accessibleName(self) str ¶
- actionEvent(self, QActionEvent)¶
- actions(self) List[QAction] ¶
- activateWindow(self)¶
- addAction(self, QAction)¶
- addActions(self, Iterable[QAction])¶
- adjustSize(self)¶
- alignment(self) Qt.Alignment ¶
- autoFillBackground(self) bool ¶
- backgroundRole(self) QPalette.ColorRole ¶
- baseSize(self) QSize ¶
- blockSignals(self, bool) bool ¶
- buddy(self) QWidget ¶
- changeEvent(self, QEvent)¶
- childAt(self, QPoint) QWidget ¶
- RGroupStructureToolTip.childAt(self, int, int) -> QWidget
- childEvent(self, QChildEvent)¶
- children(self) List[QObject] ¶
- childrenRect(self) QRect ¶
- childrenRegion(self) QRegion ¶
- clear(self)¶
- 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 ¶
- cursor(self) QCursor ¶
- customContextMenuRequested¶
customContextMenuRequested(self, QPoint) [signal]
- customEvent(self, QEvent)¶
- 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)¶
- drawChmmol(chmmol, atoms=[], bonds=[], color=<PyQt5.QtGui.QColor object>, gen_coord=False)¶
Makes a 2-D rendering of the chmmol object with optional atoms and bonds highlighting.
- Parameters
chmmol (ChmMol instance.) – Structure to generate the picture for.
atoms (list) – list of atoms that should be highlighted
bonds (list) – list of bonds that should be highlighted
color (
QtGui.QColor
) – color that is used to highlight atoms and bondsgen_coord (bool) – if True generate coordinates.
- drawFrame(self, QPainter)¶
- drawStructure(structure, StereoType=6, hydrogenTreatment=1, wantProperties=True, wantMMStereoProps=True, readAtomBondProperties=True, allowRadicals=False)¶
Makes a 2-D rendering of the structure
- Parameters
structure (schrodinger.structure.Structure class object) – structure to be drawn on the canvas
StereoType (canvas2d.ChmMmctAdaptor.StereoType) – Stereochemistry option to use. Available options: # Does not include stereochemistry info: canvas2d.ChmMmctAdaptor.NoStereo # Ignores mmstereo annotations: canvas2d.ChmMmctAdaptor.StereoFromGeometry # Silently ignores stereo information that Canvas doesn’t agree with: canvas2d.ChmMmctAdaptor.StereoFromGeometry_Safe # Ignores 3d geometry: canvas2d.ChmMmctAdaptor.StereoFromAnnotation # Silently ignores stereo information that Canvas doesn’t agree with: canvas2d.ChmMmctAdaptor.StereoFromAnnotation_Safe # Uses mmstereo annotaions with 3D geometry as a backup: canvas2d.ChmMmctAdaptor.StereoFromAnnotationAndGeometry # Silently ignores stereo information that Canvas doesn’t agree with: canvas2d.ChmMmctAdaptor.StereoFromAnnotationAndGeometry_Safe
hydrogenTreatment (canvas2d.ChmAtomOption.H) – Hydrogen treatment method. Available options: canvas2d.ChmAtomOption.H_Never canvas2d.ChmAtomOption.H_ExplicitOnly canvas2d.ChmAtomOption.H_Polar canvas2d.ChmAtomOption.H_ExplicitPolar canvas2d.ChmAtomOption.H_Chiral canvas2d.ChmAtomOption.H_ExplicitChiral canvas2d.ChmAtomOption.H_ExplicitPolarAndChiral canvas2d.ChmAtomOption.H_All
wantProperties (bool) – Whether properties should be copied.
wantMMStereoProps (bool) – Whether to copy mmstereo properties.
readAtomBondProperties (bool) – Whether to copy atom and bond-level properties.
allowRadicals (bool) – Whether to assume that valence deficiencies represent unpaired electrons.
- 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 ¶
- 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]
- finish()¶
Hide ourselves. This slot should be connected to a signal that is emitted when the parent widget receives a leaveEvent, or called directly from the widget’s leaveEvent routine.
Don’t destroy ourselves here even if we are being used in one-time use mode, because bus errors can result if we are created/destroyed in too short a timeframe - as can happen with tooltips.
- 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 ¶
- frameRect(self) QRect ¶
- frameShadow(self) QFrame.Shadow ¶
- frameShape(self) QFrame.Shape ¶
- frameSize(self) QSize ¶
- frameStyle(self) int ¶
- frameWidth(self) int ¶
- 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 ¶
- hasScaledContents(self) bool ¶
- hasSelectedText(self) bool ¶
- hasTabletTracking(self) bool ¶
- height(self) int ¶
- heightForWidth(self, int) int ¶
- heightMM(self) int ¶
- hide(self)¶
- hideEvent(self, QHideEvent)¶
- indent(self) int ¶
- inherits(self, str) bool ¶
- initPainter(self, QPainter)¶
- initStyleOption(self, QStyleOptionFrame)¶
- inputMethodEvent(self, QInputMethodEvent)¶
- inputMethodHints(self) Qt.InputMethodHints ¶
- inputMethodQuery(self, Qt.InputMethodQuery) Any ¶
- RGroupStructureToolTip.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)¶
- lineWidth(self) int ¶
- linkActivated¶
linkActivated(self, str) [signal]
- linkHovered¶
linkHovered(self, str) [signal]
- 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 ¶
- margin(self) int ¶
- mask(self) QRegion ¶
- maximumHeight(self) int ¶
- maximumSize(self) QSize ¶
- maximumWidth(self) int ¶
- metaObject(self) QMetaObject ¶
- metric(self, QPaintDevice.PaintDeviceMetric) int ¶
- midLineWidth(self) 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)¶
- RGroupStructureToolTip.move(self, int, int) -> None
- moveEvent(self, QMoveEvent)¶
- moveToThread(self, QThread)¶
- movie(self) QMovie ¶
- 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]
- openExternalLinks(self) bool ¶
- overrideWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])¶
- overrideWindowState(self, Union[Qt.WindowStates, Qt.WindowState])¶
- paintEngine(self) QPaintEngine ¶
- paintEvent(event)¶
Reimplmented the paint event to draw text on top of the image, using the value of self.top_left_text
- paintingActive(self) bool ¶
- palette(self) QPalette ¶
- parent(self) QObject ¶
- parentWidget(self) QWidget ¶
- physicalDpiX(self) int ¶
- physicalDpiY(self) int ¶
- picture(self) QPicture ¶
- pixmap(self) QPixmap ¶
- pos(self) QPoint ¶
- previousInFocusChain(self) QWidget ¶
- property(self, str) Any ¶
- protein_present_image = None¶
- 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 ¶
- 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)¶
- RGroupStructureToolTip.repaint(self, int, int, int, int) -> None
- repaint(self, QRect) None
- repaint(self, QRegion) None
- resize(self, QSize)¶
- RGroupStructureToolTip.resize(self, int, int) -> None
- resizeEvent(self, QResizeEvent)¶
- restoreGeometry(self, Union[QByteArray, bytes, bytearray]) bool ¶
- saveGeometry(self) QByteArray ¶
- RGroupStructureToolTip.scroll(self, int, int)
- RGroupStructureToolTip.scroll(self, int, int, QRect) -> None
- selectedText(self) str ¶
- selectionStart(self) int ¶
- sender(self) QObject ¶
- senderSignalIndex(self) int ¶
- setAcceptDrops(self, bool)¶
- setAccessibleDescription(self, str)¶
- setAccessibleName(self, str)¶
- setAlignment(self, Union[Qt.Alignment, Qt.AlignmentFlag])¶
- setAnnotators(annotators)¶
This function allows to reset annotators between renderning 2-D structures.
- Parameters
annotators (list) – Each item of the list should be a
canvas2d.ChemViewAnnotator
object that will be applied to thecanvas2d.ChmRender2DModel
when generating the image
- setAttribute(self, Qt.WidgetAttribute, on: bool = True)¶
- setAutoFillBackground(self, bool)¶
- setBackgroundRole(self, QPalette.ColorRole)¶
- RGroupStructureToolTip.setBaseSize(self, int, int)
- setBaseSize(self, QSize) None ¶
- setBuddy(self, QWidget)¶
- RGroupStructureToolTip.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)¶
- RGroupStructureToolTip.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)¶
- setFrameRect(self, QRect)¶
- setFrameShadow(self, QFrame.Shadow)¶
- setFrameShape(self, QFrame.Shape)¶
- setFrameStyle(self, int)¶
- setGeometry(self, QRect)¶
- RGroupStructureToolTip.setGeometry(self, int, int, int, int) -> None
- setGlobalPosition(global_position)¶
Sets the x and y global position relative to the screen at which to draw the top left corner of the tooltip window.
- Parameters
global_position (tuple(int, int)) – global position relative to the screen to draw the upper left corner of the tooltip window. This parameter overrides the offset parameter.
- setGraphicsEffect(self, QGraphicsEffect)¶
- setHidden(self, bool)¶
- setIndent(self, int)¶
- setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])¶
- setLayout(self, QLayout)¶
- setLayoutDirection(self, Qt.LayoutDirection)¶
- setLineWidth(self, int)¶
- setLocale(self, QLocale)¶
- setMargin(self, int)¶
- setMask(self, QBitmap)¶
- setMask(self, QRegion) None
- setMaximumHeight(self, int)¶
- RGroupStructureToolTip.setMaximumSize(self, int, int)
- setMaximumSize(self, QSize) None ¶
- setMaximumWidth(self, int)¶
- setMidLineWidth(self, int)¶
- setMinimumHeight(self, int)¶
- RGroupStructureToolTip.setMinimumSize(self, int, int)
- setMinimumSize(self, QSize) None ¶
- setMinimumWidth(self, int)¶
- setMouseTracking(self, bool)¶
- setMovie(self, QMovie)¶
- setNum(self, float)¶
- setNum(self, int) None
- setObjectName(self, str)¶
- setOffset(offset)¶
Sets the x and y offset in pixels of the tooltip from the mouse pointer
- Parameters
offset (tuple(int, int)) – x and y pixel offset from the mouse pointer position to draw the upper left corner of the tooltip window
- setOpenExternalLinks(self, bool)¶
- setPalette(self, QPalette)¶
- setParent(self, QWidget)¶
- setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType]) None
- setPicture(self, QPicture)¶
- setPixmap(self, QPixmap)¶
- setProperty(self, str, Any) bool ¶
- setScaledContents(self, bool)¶
- RGroupStructureToolTip.setSelection(self, int, int)
- setShortcutAutoRepeat(self, int, enabled: bool = True)¶
- setShortcutEnabled(self, int, enabled: bool = True)¶
- RGroupStructureToolTip.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)¶
- RGroupStructureToolTip.setTabOrder(QWidget, QWidget)
- setTabletTracking(self, bool)¶
- setText(self, str)¶
- setTextFormat(self, Qt.TextFormat)¶
- setTextInteractionFlags(self, Union[Qt.TextInteractionFlags, Qt.TextInteractionFlag])¶
- 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)¶
- setWordWrap(self, bool)¶
- show(structure=None, pic=None, top_left_text=None)¶
Show the tooltip
- Parameters
structure (structure object that canvas2d.ChmMmctAdaptor.create() accepts.) – the structure to draw in the cell. This can be given at instantiation time if the structure will always be the same, or it can be given a show time if the structure will change dynamically.
- 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 ¶
- style(self) QStyle ¶
- styleSheet(self) str ¶
- tabletEvent(self, QTabletEvent)¶
- testAttribute(self, Qt.WidgetAttribute) bool ¶
- text(self) str ¶
- textFormat(self) Qt.TextFormat ¶
- textInteractionFlags(self) Qt.TextInteractionFlags ¶
- 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
- RGroupStructureToolTip.update(self, int, int, int, int) -> None
- updateGeometry(self)¶
- updateMicroFocus(self)¶
- updatesEnabled(self) bool ¶
- 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 ¶
- wordWrap(self) bool ¶
- x(self) int ¶
- y(self) int ¶
- class schrodinger.application.matsci.builderwidgets.SketchDialog(master, sketcher, title)[source]¶
Bases:
PyQt5.QtWidgets.QDialog
A Dialog window that opens a SketcherBox instance
- __init__(master, sketcher, title)[source]¶
Create a SketchDialog instance
- Parameters
master (
EndGroupRow
) – The EndGroupRow object this dialog belongs tosketcher (
schrodinger.application.matsci.builderwidgets.SketcherBox
) – The SketcherBox to displaytitle (str) – The window title
- useStructure(button)[source]¶
Prompt the EndGroupRow to use the currently sketched structure, and close the dialog if the structure is acceptable
- Accepted = 1¶
- class DialogCode¶
Bases:
int
- 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¶
- 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)¶
- accept(self)¶
- acceptDrops(self) bool ¶
- 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 ¶
- SketchDialog.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 ¶
- cursor(self) QCursor ¶
- customContextMenuRequested¶
customContextMenuRequested(self, QPoint) [signal]
- customEvent(self, QEvent)¶
- 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)¶
- 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_(self) int ¶
- 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] ¶
- 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)¶
- inherits(self, str) bool ¶
- initPainter(self, QPainter)¶
- inputMethodEvent(self, QInputMethodEvent)¶
- inputMethodHints(self) Qt.InputMethodHints ¶
- inputMethodQuery(self, Qt.InputMethodQuery) Any ¶
- SketchDialog.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 ¶
- 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)¶
- SketchDialog.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]
- open(self)¶
- 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 ¶
- 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)¶
- SketchDialog.repaint(self, int, int, int, int) -> None
- repaint(self, QRect) None
- repaint(self, QRegion) None
- resize(self, QSize)¶
- SketchDialog.resize(self, int, int) -> None
- resizeEvent(self, QResizeEvent)¶
- restoreGeometry(self, Union[QByteArray, bytes, bytearray]) bool ¶
- result(self) int ¶
- saveGeometry(self) QByteArray ¶
- SketchDialog.scroll(self, int, int)
- SketchDialog.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)¶
- SketchDialog.setBaseSize(self, int, int)
- setBaseSize(self, QSize) None ¶
- SketchDialog.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)¶
- SketchDialog.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)¶
- SketchDialog.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)¶
- SketchDialog.setMaximumSize(self, int, int)
- setMaximumSize(self, QSize) None ¶
- setMaximumWidth(self, int)¶
- setMinimumHeight(self, int)¶
- SketchDialog.setMinimumSize(self, int, int)
- setMinimumSize(self, QSize) None ¶
- setMinimumWidth(self, int)¶
- setModal(self, bool)¶
- 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 ¶
- setResult(self, int)¶
- setShortcutAutoRepeat(self, int, enabled: bool = True)¶
- setShortcutEnabled(self, int, enabled: bool = True)¶
- setSizeGripEnabled(self, bool)¶
- SketchDialog.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)¶
- SketchDialog.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 ¶
- 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
- SketchDialog.update(self, int, int, int, int) -> None
- updateGeometry(self)¶
- updateMicroFocus(self)¶
- updatesEnabled(self) bool ¶
- 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.application.matsci.builderwidgets.TMLigandRowMixin[source]¶
Bases:
object
A mixin class that takes care of minimizing bidentate transition metal complex ligand structures so that they remain planar through the R1-…-R2 bond path.
- Should be used with ItemRow classes. Example use:
- class LigandRow(TMLigandRowMixin, ItemRow):
…
- findAttachmentMarkers(set_dentation=True)[source]¶
Find the atoms that mark attachment points and determine the mono/bi-dentation of the ligand. The index of each marker atom is stored in self.markers.
- Parameters
set_dentation (bool) – Whether to set the dentation_type property based on the current number of marker atoms of the structure
- prepareStructureForMinimization()[source]¶
Prepare the structure for minimization.
We change any eta-coordination marker to a dummy atom because that marker is not an actual atomic position - we don’t want it influencing the location of other atoms.
- For monodentate ligands:
If not eta-coordination, the location of the first marker is important because that determines the ligand-metal bond vector. We minimize this position by placing an “H” at that location.
- For bidentate ligands:
If neither marker is eta, we change the second marker to a dummy atom in order to avoid both marker atoms clashing sterically - in the complex there will be only the metal atom there so setting the second marker to a dummy ensures that the metal is in a good bidentate binding pocket.
If one or both markers are eta, we leave any remaining non-eta marker as an H atom to optimize its position.
The location of any eta-marker is updated afterwards based on the position of the minimized eta-coordinating atoms.
- addHydrogens()[source]¶
Add hydrogens to the structure, properly accounting for phantom Rx bonds and incorrect formal charges caused by those bonds.
- modifyMinimizer(mizer)[source]¶
Add torsion constraints to the minimizer to keep the coordination sphere planar and with torsions of 0.
- Parameters
mizer (schrodinger.structutils.minimizer.Minimizer) – The Minimizer object that will minimize the structure.
- postTreatMinimizedStructure(marker_element='Br')[source]¶
Undo the modifications to the structure that we made before minimization. This means we add back the second marker and point it at the first marker. The location of the second marker actually doesn’t really matter, but pointed at the first marker is as good a place as any.
- class schrodinger.application.matsci.builderwidgets.ItemRowWithTemplates(master, row_layout, item_type, template_selector_class, default_template, stretch=True, unset_tip=None, builtin_dir=None, sketcher=True, sketcher_class=None, name_field=True, none_item=False, single_rx_atom=False)[source]¶
Bases:
schrodinger.application.matsci.builderwidgets.ItemRow
An ItemRow that holds the data for one unit and includes a combo for choosing Template structures
- dataChanged¶
- __init__(master, row_layout, item_type, template_selector_class, default_template, stretch=True, unset_tip=None, builtin_dir=None, sketcher=True, sketcher_class=None, name_field=True, none_item=False, single_rx_atom=False)[source]¶
Create a EndGroupRow instance
- Parameters
master (
schrodinger.ui.qt.appframework.AppFramework
) – The parent panel for this row. Must have the following methods: deleteRow, setWaitCursor, restoreCursorrow_layout (QLayout) – The layout this EndGroupRow should add itself to
item_type (str) – A string describing the type of item this row is, such as “monomer” - this will be displayed to the user in labels and tooltips. Use the lowercase form of the word - it will be capitalized when necessary.
template_selector_class (type(TemplateSelector)) – A fully-implemented subclass of TemplateSelector (the class, not an instance)
stretch (bool) – Should a layout stretch be added after all widgets have been laid out
default_template (str) – The default template to load for this row when created.
unset_tip (str) – The tooltip to use when no structure has been set
builtin_dir (str) – The path to the directory where built-in templates are stored. By default, it will be the script’s ‘_dir’ directory + the template name
sketcher (bool) – Whether to use a button that opens a sketcher window
sketcher_class (
SketcherBox
) – The 2D sketcher class to use in the Sketcher dialog windowname_field (bool) – True if a name field should be added, False if not
none_item (bool) – Combox has a None item if True
single_rx_atom (bool) – If True, there can only be one single rx atom
- setSingleRxAtom(single_rx_atom)[source]¶
Set the single Rx atom mode.
- Parameters
single_rx_atom (bool) – If True, there can only be one single rx atom
- reloadTemplateList(select='')[source]¶
Reload the template selector with current information. If the current selection is not in the currect list of templates, then fall back to the default.
- Parameters
select (str) – The template to select after the list is re-populated. May be the constant RESELECT_CURRENT_TEMPLATE to pick whatever the current template is
- getNumMarkers()[source]¶
Get the number of Rx atoms in this row
- Return type
int
- Returns
The number of Rx atoms in this row
- getAtomsAndWeight()[source]¶
Count the number of atoms and atomic weight for this row
- Return type
(int, float)
- Returns
The number of atoms and total molecular weight for the structure of this row - does not include marker atoms
- updateTemplates(templates, select)[source]¶
Load a new list of templates into the template list
- Parameters
templates (list) – list of template names
select (str) – Attempt to select this template in the combo after loading new names
- getName(no_h=False)[source]¶
Get the name the user has specified for this item
- Parameters
no_h (bool) – If True, return an empty string if the name is “H”
- Return type
str
- Returns
The name for this row
- getASLName()[source]¶
Modify the user’s name to make it acceptable for ASL syntax, which reserves some characters.
- Return type
str
- Returns
The name for this row modified to pass ASL syntax
- hasStructure()[source]¶
Is a structure set for this row?
- Return type
bool
- Returns
True if yes, False if no
- Box = 1¶
- DrawChildren = 2¶
- DrawWindowBackground = 1¶
- HLine = 4¶
- IgnoreMask = 4¶
- NoFrame = 0¶
- class PaintDeviceMetric¶
Bases:
int
- Panel = 2¶
- PdmDepth = 6¶
- PdmDevicePixelRatio = 11¶
- PdmDevicePixelRatioScaled = 12¶
- PdmDpiX = 7¶
- PdmDpiY = 8¶
- PdmHeight = 2¶
- PdmHeightMM = 4¶
- PdmNumColors = 5¶
- PdmPhysicalDpiX = 9¶
- PdmPhysicalDpiY = 10¶
- PdmWidth = 1¶
- PdmWidthMM = 3¶
- Plain = 16¶
- Raised = 32¶
- 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)¶
- class Shadow¶
Bases:
int
- Shadow_Mask = 240¶
- class Shape¶
Bases:
int
- Shape_Mask = 15¶
- class StyleMask¶
Bases:
int
- StyledPanel = 6¶
- Sunken = 48¶
- VLine = 5¶
- WinPanel = 3¶
- acceptDrops(self) bool ¶
- accessibleDescription(self) str ¶
- accessibleName(self) str ¶
- actionEvent(self, QActionEvent)¶
- actions(self) List[QAction] ¶
- activateWindow(self)¶
- addAction(self, QAction)¶
- addActions(self, Iterable[QAction])¶
- addHydrogens()¶
Add hydrogens to the structure
- addStretch()¶
Add stretch to the frame layout.
- addWidget(widget)¶
Add widget to the frame layout.
- Parameters
widget (QWidget) – Widget to place on the layout
- adjustSize(self)¶
- autoFillBackground(self) bool ¶
- backgroundRole(self) QPalette.ColorRole ¶
- baseSize(self) QSize ¶
- blockSignals(self, bool) bool ¶
- changeEvent(self, QEvent)¶
- childAt(self, QPoint) QWidget ¶
- ItemRowWithTemplates.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 ¶
- convert2DTo3DAndMinimize()¶
Minimize the structure, converting from 2D to 3D first if necessary
- 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)¶
- delete()¶
Delete this row
- 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)¶
- drawFrame(self, QPainter)¶
- 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 ¶
- fillStatusLabel()¶
Set the status label using the new structure
- find(PyQt5.sip.voidptr) QWidget ¶
- findAttachmentMarkers()¶
Find the atoms that mark attachment points. The index of each marker atom is stored in self.markers in ascending order of Rx value.
- 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 ¶
- frameRect(self) QRect ¶
- frameShadow(self) QFrame.Shadow ¶
- frameShape(self) QFrame.Shape ¶
- frameSize(self) QSize ¶
- frameStyle(self) int ¶
- frameWidth(self) int ¶
- geometry(self) QRect ¶
- getContentsMargins(self) Tuple[int, int, int, int] ¶
- getMolecularFormula()¶
Compute a molecular formula without the marker atoms
- Return type
str
- Returns
The Hill-type molecular formula (minus marker atoms)
- 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)¶
- inherits(self, str) bool ¶
- initPainter(self, QPainter)¶
- initStyleOption(self, QStyleOptionFrame)¶
- inputMethodEvent(self, QInputMethodEvent)¶
- inputMethodHints(self) Qt.InputMethodHints ¶
- inputMethodQuery(self, Qt.InputMethodQuery) Any ¶
- ItemRowWithTemplates.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)¶
- lineWidth(self) int ¶
- 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 ¶
- midLineWidth(self) int ¶
- minimumHeight(self) int ¶
- minimumSize(self) QSize ¶
- minimumSizeHint(self) QSize ¶
- minimumWidth(self) int ¶
- modifyMinimizer(mizer)¶
This method allows subclasses to customize the Minimizer in any way they see fit. The structure has already been set for the Minimizer and is a temporary copy of self.structure.
- Parameters
mizer (schrodinger.structutils.minimizer.Minimizer) – The Minimizer object that will minimize the structure.
- mouseDoubleClickEvent(self, QMouseEvent)¶
- mouseGrabber() QWidget ¶
- mouseMoveEvent(self, QMouseEvent)¶
- mousePressEvent(self, QMouseEvent)¶
- mouseReleaseEvent(self, QMouseEvent)¶
- move(self, QPoint)¶
- ItemRowWithTemplates.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 ¶
- postTreatMinimizedStructure(marker_element='Br')¶
Perform any necessary actions on a just-minimized structure, perhaps undoing some of the prep done by prepareStructureForMinimization. The default changes the marker atoms back to TEMP_ELEMENT atoms.
- Parameters
marker_element (str) – The element to change the marker atom to (the atom that marks the attachment point and is discarded when the structure is added to a larger structure)
- prepareStructureForMinimization()¶
Prepare the structure for minimization. The default implementation just changes the marker atoms to H atoms.
- 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 ¶
- releaseKeyboard(self)¶
- releaseMouse(self)¶
- releaseShortcut(self, int)¶
- removeAction(self, QAction)¶
- removeEventFilter(self, QObject)¶
- removeFFProperties()¶
Remove any properties set on structure from force field minimization so that those properties don’t propagate to any structure built from this structure.
- 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)¶
- ItemRowWithTemplates.repaint(self, int, int, int, int) -> None
- repaint(self, QRect) None
- repaint(self, QRegion) None
- resize(self, QSize)¶
- ItemRowWithTemplates.resize(self, int, int) -> None
- resizeEvent(self, QResizeEvent)¶
- restoreCursor()¶
Change to a wait cursor - needed for the wait_cursor decorator
- restoreGeometry(self, Union[QByteArray, bytes, bytearray]) bool ¶
- saveGeometry(self) QByteArray ¶
- ItemRowWithTemplates.scroll(self, int, int)
- ItemRowWithTemplates.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)¶
- ItemRowWithTemplates.setBaseSize(self, int, int)
- setBaseSize(self, QSize) None ¶
- ItemRowWithTemplates.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)¶
- ItemRowWithTemplates.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)¶
- setFrameRect(self, QRect)¶
- setFrameShadow(self, QFrame.Shadow)¶
- setFrameShape(self, QFrame.Shape)¶
- setFrameStyle(self, int)¶
- setGeometry(self, QRect)¶
- ItemRowWithTemplates.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)¶
- setLineWidth(self, int)¶
- setLocale(self, QLocale)¶
- setMask(self, QBitmap)¶
- setMask(self, QRegion) None
- setMaximumHeight(self, int)¶
- ItemRowWithTemplates.setMaximumSize(self, int, int)
- setMaximumSize(self, QSize) None ¶
- setMaximumWidth(self, int)¶
- setMidLineWidth(self, int)¶
- setMinimumHeight(self, int)¶
- ItemRowWithTemplates.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)¶
- ItemRowWithTemplates.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)¶
- ItemRowWithTemplates.setTabOrder(QWidget, QWidget)
- setTabletTracking(self, bool)¶
- setToolTip(self, str)¶
- setToolTipDuration(self, int)¶
- setUpdatesEnabled(self, bool)¶
- setVisible(self, bool)¶
- setWaitCursor()¶
Change to a wait cursor - needed for the wait_cursor decorator
- 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 ¶
- 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
- ItemRowWithTemplates.update(self, int, int, int, int) -> None
- updateGeometry(self)¶
- updateMicroFocus(self)¶
- updatesEnabled(self) bool ¶
- 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.application.matsci.builderwidgets.ComplexLigandRxMixin[source]¶
Bases:
object
- validateRAtomIdentity(rx_atoms, max_x)[source]¶
Run validation on the values of the R atoms. An error message is displayed to the user by this method if appropriate
- Parameters
rx_atoms (dict) – keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based)
max_x (int) – The larget value of x in the keys of rx_atoms. Unused, kept for API compatibility with parent class.
- Return type
bool
- Returns
True if everything is OK, False if not
- validateRAtomStructure(struct, rx_atoms, max_x)[source]¶
Run validation on the R atoms that requires a
schrodinger.structure.Structure
object.- Parameters
struct (
schrodinger.structure.Structure
) – The structure to use for validating the Ra atomsrx_atoms (dict) – keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based)
max_x (int) – The larget value of x in the keys of rx_atoms. Unused, kept for API compatibility with parent class.
- Return type
bool
- Returns
True if everything is OK, False if not
- class schrodinger.application.matsci.builderwidgets.ComplexTemplateSketcher(*args, **kwargs)[source]¶
Bases:
schrodinger.application.matsci.builderwidgets.ComplexLigandRxMixin
,schrodinger.application.matsci.builderwidgets.SketcherBox
A 2D sketcher that is decorated with a number of widgets for creating and saving templates. Overrides the parent class mainly for validation of the template structure.
This class is specifically for templates for the Single and Multi complex builders, which use a different directory name for historical reasons
- moveOldTemplates()[source]¶
Move any templates from the old location to the new one that is used starting in 2014-3
- Box = 1¶
- DrawChildren = 2¶
- DrawWindowBackground = 1¶
- HLine = 4¶
- IgnoreMask = 4¶
- NoFrame = 0¶
- class PaintDeviceMetric¶
Bases:
int
- Panel = 2¶
- PdmDepth = 6¶
- PdmDevicePixelRatio = 11¶
- PdmDevicePixelRatioScaled = 12¶
- PdmDpiX = 7¶
- PdmDpiY = 8¶
- PdmHeight = 2¶
- PdmHeightMM = 4¶
- PdmNumColors = 5¶
- PdmPhysicalDpiX = 9¶
- PdmPhysicalDpiY = 10¶
- PdmWidth = 1¶
- PdmWidthMM = 3¶
- Plain = 16¶
- Raised = 32¶
- 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)¶
- class Shadow¶
Bases:
int
- Shadow_Mask = 240¶
- class Shape¶
Bases:
int
- Shape_Mask = 15¶
- class StyleMask¶
Bases:
int
- StyledPanel = 6¶
- Sunken = 48¶
- VLine = 5¶
- WinPanel = 3¶
- acceptDrops(self) bool ¶
- accessibleDescription(self) str ¶
- accessibleName(self) str ¶
- actionEvent(self, QActionEvent)¶
- actions(self) List[QAction] ¶
- activateWindow(self)¶
- addAction(self, QAction)¶
- addActions(self, Iterable[QAction])¶
- addStretch()¶
Add stretch to the frame layout.
- addWidget(widget)¶
Add widget to the frame layout.
- Parameters
widget (QWidget) – Widget to place on the layout
- adjustSize(self)¶
- autoFillBackground(self) bool ¶
- backgroundRole(self) QPalette.ColorRole ¶
- baseSize(self) QSize ¶
- blockSignals(self, bool) bool ¶
- buildTemplateList(select='')¶
Build a list of all templates - built in or user-defined. This list is stored in self.templates and replaces the current list in the Template Combobox.
- Parameters
select (str) – The template that should be selected in the Template Combobox when all is said and done.
- changeEvent(self, QEvent)¶
- changeMarkerAtomsToTempElement(struct, rx_atoms=None)¶
Change all the marker atoms in the structure to a specific element
- Parameters
struct (
schrodinger.structure.Structure
) – The structure to modifyrx_atoms (dict) – A dictionary with keys that are the x value for Rx atoms and values that are lists of atom indexes with that x value. If not supplied, the Rx atoms will be found from structure properties.
- childAt(self, QPoint) QWidget ¶
- ComplexTemplateSketcher.childAt(self, int, int) -> QWidget
- childEvent(self, QChildEvent)¶
- children(self) List[QObject] ¶
- childrenRect(self) QRect ¶
- childrenRegion(self) QRegion ¶
- clearFocus(self)¶
- clearMask(self)¶
- clearSketcher()¶
Remove the current structure from the sketcher
- 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 ¶
- cursor(self) QCursor ¶
- customContextMenuRequested¶
customContextMenuRequested(self, QPoint) [signal]
- customEvent(self, QEvent)¶
- 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)¶
- drawFrame(self, QPainter)¶
- 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 ¶
- filterTemplates()¶
Filter templates based on whether single rx atom is requested.
- Returns
valid templates
- Return type
list
- 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 ¶
- frameGeometry(self) QRect ¶
- frameRect(self) QRect ¶
- frameShadow(self) QFrame.Shadow ¶
- frameShape(self) QFrame.Shape ¶
- frameSize(self) QSize ¶
- frameStyle(self) int ¶
- frameWidth(self) int ¶
- geometry(self) QRect ¶
- getContentsMargins(self) Tuple[int, int, int, int] ¶
- getDefaultCustomTemplateDir()¶
Get the default directory for user templates
- getRecentTemplatePath()¶
Get the path to the recent template file
- Return type
str
- Returns
The path to the recent template file
- getRecentTemplatesList()¶
Get a list of recently used templates.
- Return type
list of str
- Returns
Items of the list are the names of recently used templates. The list is sorted in order from most to least recently used.
- getRxAtoms()¶
Find the atoms marked as R groups in the sketcher structure
- Return type
(dict, int)
- Returns
dict keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based). The int return value is the largest value of x in the dictionary keys.
- getSketcherImportSettings()¶
Returns sketcher import structure settings. :rtype: sketcher.sketcherImportStructureSettings :return: sketcher import structure settings for panel usage
- getSketcherStructure(quiet_if_empty=False)¶
Get the structure from the sketcher and set it up for use as a Ligand
- Performs the following manipulations:
Stores the index of the R1/R2 marker atoms as structure properties
Changes R1/R2 to hydrogen atoms
Checks to ensure consistent use of Rx in the structure
- Parameters
quiet_if_empty (bool) – If True, do not post a warning if the sketcher contains no structure
- Return type
schrodinger.structure.Structure
or None- Returns
The structure object from the sketcher, or None if an error occured along the way
- getUserTemplateList()¶
Get the list of user templates
- Return type
list
- Returns
list of template names in the self.custom_path
- 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)¶
- importWorkspace()¶
Get the workspace structure and place it in the sketcher
- inherits(self, str) bool ¶
- initPainter(self, QPainter)¶
- initStyleOption(self, QStyleOptionFrame)¶
- inputMethodEvent(self, QInputMethodEvent)¶
- inputMethodHints(self) Qt.InputMethodHints ¶
- inputMethodQuery(self, Qt.InputMethodQuery) Any ¶
- ComplexTemplateSketcher.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)¶
- lineWidth(self) int ¶
- loadTemplate(template_index)¶
Load a template into the sketcher
- Parameters
template_index (int) – The index in the templates list of the template to load
- locale(self) QLocale ¶
- logicalDpiX(self) int ¶
- logicalDpiY(self) int ¶
- lower(self)¶
- manageTemplates()¶
Open a window to allow the user to manage existing templates
- 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 ¶
- midLineWidth(self) 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)¶
- ComplexTemplateSketcher.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.
- raise_(self)¶
- readTemplateStructure(name)¶
Read in a template file based name. The file name read is name + TEMPLATE_EXTENSION.
- Parameters
name (str) – The base name of the template file without the extension
- Return type
- Returns
The structure that was read in
- 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)¶
- ComplexTemplateSketcher.repaint(self, int, int, int, int) -> None
- repaint(self, QRect) None
- repaint(self, QRegion) None
- reset()¶
Reset all widgets
- resize(self, QSize)¶
- ComplexTemplateSketcher.resize(self, int, int) -> None
- resizeEvent(self, QResizeEvent)¶
- restoreGeometry(self, Union[QByteArray, bytes, bytearray]) bool ¶
- saveGeometry(self) QByteArray ¶
- saveTemplate()¶
Save the current sketcher structure as a new user-defined template
- ComplexTemplateSketcher.scroll(self, int, int)
- ComplexTemplateSketcher.scroll(self, int, int, QRect) -> None
- sender(self) QObject ¶
- senderSignalIndex(self) int ¶
- setAcceptDrops(self, bool)¶
- setAccessibleDescription(self, str)¶
- setAccessibleName(self, str)¶
- setAtomRNumbers(struct, rx_atoms)¶
Set the Rnumbers based on the structure with Hydrogen atoms and the corresponding atom indexes marked with that Rx value.
- Parameters
struct (structure.Structure) – a monomer structure
rx_atoms (dict) – keys are Rx x values and values are lists of atom indexes marked with that Rx value
- setAttribute(self, Qt.WidgetAttribute, on: bool = True)¶
- setAutoFillBackground(self, bool)¶
- setBackgroundRole(self, QPalette.ColorRole)¶
- ComplexTemplateSketcher.setBaseSize(self, int, int)
- setBaseSize(self, QSize) None ¶
- ComplexTemplateSketcher.setContentsMargins(self, int, int, int, int)
- setContentsMargins(self, QMargins) None ¶
- setContextMenuPolicy(self, Qt.ContextMenuPolicy)¶
- setCursor(self, Union[QCursor, Qt.CursorShape])¶
- setCustomTemplateDir(path)¶
The user changed the custom template directory
- Parameters
path (str) – The new custom directory path. Use the module constant RESET_TO_DEFAULT_CUSTOM_DIR to reset to the Schrodinger default
- setDisabled(self, bool)¶
- setEnabled(self, bool)¶
- setFixedHeight(self, int)¶
- setFixedSize(self, QSize)¶
- ComplexTemplateSketcher.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)¶
- setFrameRect(self, QRect)¶
- setFrameShadow(self, QFrame.Shadow)¶
- setFrameShape(self, QFrame.Shape)¶
- setFrameStyle(self, int)¶
- setGeometry(self, QRect)¶
- ComplexTemplateSketcher.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)¶
- setLineWidth(self, int)¶
- setLocale(self, QLocale)¶
- setMask(self, QBitmap)¶
- setMask(self, QRegion) None
- setMaximumHeight(self, int)¶
- ComplexTemplateSketcher.setMaximumSize(self, int, int)
- setMaximumSize(self, QSize) None ¶
- setMaximumWidth(self, int)¶
- setMidLineWidth(self, int)¶
- setMinimumHeight(self, int)¶
- ComplexTemplateSketcher.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)¶
- ComplexTemplateSketcher.setSizeIncrement(self, int, int)
- setSizeIncrement(self, QSize) None ¶
- setSizePolicy(self, QSizePolicy)¶
- setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy) None
- setSketcherStructure(struct, rm_polymer_prop=True)¶
Set struct as the structure in the sketcher
- Parameters
struct (structure.Structure) – the structure to be placed in the 2D sketcher
rm_polymer_prop (bool) – remove the s_matsci_polymer_role property for each atom, if True
- setStatusTip(self, str)¶
- setStyle(self, QStyle)¶
- setStyleSheet(self, str)¶
- ComplexTemplateSketcher.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 ¶
- style(self) QStyle ¶
- styleSheet(self) str ¶
- tabletEvent(self, QTabletEvent)¶
- templatesUpdated¶
- 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
- ComplexTemplateSketcher.update(self, int, int, int, int) -> None
- updateGeometry(self)¶
- updateMicroFocus(self)¶
- updateRecentTemplateFile(name)¶
Add a template as the most recently used template file.
- Parameters
name (str) – The name of the most recently used template - should correspond to the name of the template structure file.
- updatesEnabled(self) bool ¶
- validateRAtomIdentity(rx_atoms, max_x)¶
Run validation on the values of the R atoms. An error message is displayed to the user by this method if appropriate
- Parameters
rx_atoms (dict) – keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based)
max_x (int) – The larget value of x in the keys of rx_atoms. Unused, kept for API compatibility with parent class.
- Return type
bool
- Returns
True if everything is OK, False if not
- validateRAtomStructure(struct, rx_atoms, max_x)¶
Run validation on the R atoms that requires a
schrodinger.structure.Structure
object.- Parameters
struct (
schrodinger.structure.Structure
) – The structure to use for validating the Ra atomsrx_atoms (dict) – keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based)
max_x (int) – The larget value of x in the keys of rx_atoms. Unused, kept for API compatibility with parent class.
- Return type
bool
- Returns
True if everything is OK, False if not
- 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.application.matsci.builderwidgets.LigandSketcherStructGetter(sketcher, master)[source]¶
Bases:
schrodinger.application.matsci.builderwidgets.ComplexLigandRxMixin
,schrodinger.application.matsci.builderwidgets.TMLigandRowMixin
,schrodinger.application.matsci.builderwidgets.MinimizeMixin
,schrodinger.application.matsci.builderwidgets.SketcherStructureMixin
Gets a structure from the sketcher, marks the attachment points, checks for valid attachment points and creates a 3D structure.
- __init__(sketcher, master)[source]¶
Create a LigandSketcherStructGetter instance
- Parameters
sketcher (
schrodinger.ui.sketcher.sketcher
) – The sketcher instancemaster (QWidget) – A widget with a warning method
- addHydrogens()¶
Add hydrogens to the structure, properly accounting for phantom Rx bonds and incorrect formal charges caused by those bonds.
- changeMarkerAtomsToTempElement(struct, rx_atoms=None)¶
Change all the marker atoms in the structure to a specific element
- Parameters
struct (
schrodinger.structure.Structure
) – The structure to modifyrx_atoms (dict) – A dictionary with keys that are the x value for Rx atoms and values that are lists of atom indexes with that x value. If not supplied, the Rx atoms will be found from structure properties.
- convert2DTo3DAndMinimize()¶
Minimize the structure, converting from 2D to 3D first if necessary
- findAttachmentMarkers(set_dentation=True)¶
Find the atoms that mark attachment points and determine the mono/bi-dentation of the ligand. The index of each marker atom is stored in self.markers.
- Parameters
set_dentation (bool) – Whether to set the dentation_type property based on the current number of marker atoms of the structure
- getRxAtoms()¶
Find the atoms marked as R groups in the sketcher structure
- Return type
(dict, int)
- Returns
dict keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based). The int return value is the largest value of x in the dictionary keys.
- getSketcherStructure(quiet_if_empty=False)¶
Get the structure from the sketcher and set it up for use as a Ligand
- Performs the following manipulations:
Stores the index of the R1/R2 marker atoms as structure properties
Changes R1/R2 to hydrogen atoms
Checks to ensure consistent use of Rx in the structure
- Parameters
quiet_if_empty (bool) – If True, do not post a warning if the sketcher contains no structure
- Return type
schrodinger.structure.Structure
or None- Returns
The structure object from the sketcher, or None if an error occured along the way
- modifyMinimizer(mizer)¶
Add torsion constraints to the minimizer to keep the coordination sphere planar and with torsions of 0.
- Parameters
mizer (schrodinger.structutils.minimizer.Minimizer) – The Minimizer object that will minimize the structure.
- postTreatMinimizedStructure(marker_element='Br')¶
Undo the modifications to the structure that we made before minimization. This means we add back the second marker and point it at the first marker. The location of the second marker actually doesn’t really matter, but pointed at the first marker is as good a place as any.
- prepareStructureForMinimization()¶
Prepare the structure for minimization.
We change any eta-coordination marker to a dummy atom because that marker is not an actual atomic position - we don’t want it influencing the location of other atoms.
- For monodentate ligands:
If not eta-coordination, the location of the first marker is important because that determines the ligand-metal bond vector. We minimize this position by placing an “H” at that location.
- For bidentate ligands:
If neither marker is eta, we change the second marker to a dummy atom in order to avoid both marker atoms clashing sterically - in the complex there will be only the metal atom there so setting the second marker to a dummy ensures that the metal is in a good bidentate binding pocket.
If one or both markers are eta, we leave any remaining non-eta marker as an H atom to optimize its position.
The location of any eta-marker is updated afterwards based on the position of the minimized eta-coordinating atoms.
- relocateEtaMarkers()¶
Move each eta marker to the centroid of the atoms it marks
- validateRAtomIdentity(rx_atoms, max_x)¶
Run validation on the values of the R atoms. An error message is displayed to the user by this method if appropriate
- Parameters
rx_atoms (dict) – keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based)
max_x (int) – The larget value of x in the keys of rx_atoms. Unused, kept for API compatibility with parent class.
- Return type
bool
- Returns
True if everything is OK, False if not
- validateRAtomStructure(struct, rx_atoms, max_x)¶
Run validation on the R atoms that requires a
schrodinger.structure.Structure
object.- Parameters
struct (
schrodinger.structure.Structure
) – The structure to use for validating the Ra atomsrx_atoms (dict) – keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based)
max_x (int) – The larget value of x in the keys of rx_atoms. Unused, kept for API compatibility with parent class.
- Return type
bool
- Returns
True if everything is OK, False if not
- getStructure()[source]¶
Get the structure from the sketcher, validate it, and convert it to 3D
- Note
Note that various methods called from here will post warning dialogs using the master widget (passed into the __init__ method) warning method when things go wrong.
- Return type
schrodinger.structure.Structure
or None- Returns
The 3D structure or None if an error occured.