schrodinger.application.matsci.smartsutilsgui module

GUI elements for working with SMARTS patterns

Copyright Schrodinger, LLC. All rights reserved.

class schrodinger.application.matsci.smartsutilsgui.SMARTSNameValidator

Bases: PyQt5.QtGui.QValidator

Ensures that the line edit contains only valid SMARTS name characters

validate(value, position)

See PyQt documentation for arguments and return values

Acceptable = 2
Intermediate = 1
Invalid = 0
class State

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x5ca9ad8>
__init__

Initialize self. See help(type(self)) for accurate signature.

blockSignals(self, bool) → bool
changed

changed(self) [signal]

childEvent(self, QChildEvent)
children(self) → List[QObject]
connectNotify(self, QMetaMethod)
customEvent(self, QEvent)
deleteLater(self)
destroyed

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

disconnect(self)
disconnectNotify(self, QMetaMethod)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject

findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject

findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]

fixup(self, str) → str
inherits(self, str) → bool
installEventFilter(self, QObject)
isSignalConnected(self, QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, int)
locale(self) → QLocale
metaObject(self) → QMetaObject
moveToThread(self, QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

parent(self) → QObject
property(self, str) → Any
pyqtConfigure(...)

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

receivers(self, PYQT_SIGNAL) → int
removeEventFilter(self, QObject)
sender(self) → QObject
senderSignalIndex(self) → int
setLocale(self, QLocale)
setObjectName(self, str)
setParent(self, QObject)
setProperty(self, str, Any) → bool
signalsBlocked(self) → bool
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, QTimerEvent)
tr(self, str, disambiguation: str = None, n: int = -1) → str
schrodinger.application.matsci.smartsutilsgui.getSMARTSFromWS(maestro, warning, smart_edit, canvas_api=False, fall_back=False)

Get the SMARTS pattern for the selected atoms in the workspace and insert it into the SMARTS entry

Parameters:
  • maestro (schrodinger.maestro.maestro) – maestro provides structure and selected atom index
  • warning (function) – prints warning message
  • smart_edit (schrodinger.ui.qt.swidgets.SMARTSEdit) – setText() sets the name of the smart pattern in GUI
  • canvas_api (bool) – whether to use analyze.generate_smarts or analyze.generate_smarts_canvas
  • fall_back (bool) – whether to fall back on using analyze.generate_smarts if analyze.generate_smarts_canvas fails, used only if canvas_api is True