schrodinger.stepper.sideinputs module

Utility steps for creating side inputs in stepper workflows.

For example, in a workflow with steps A, B, C, and D, a ForkStep and JoinStep can be set up so that all outputs from A are passed along to D. This allows outputs from A to get to D even if B or C would normally filter those inputs.

Example:

class MyWorkflow(stepper.Chain):
    def buildChain(self):
        a = A()
        self.addStep(a)
        fork = ForkStep(step=a)
        self.addStep(fork)
        self.addStep(B())
        self.addStep(C())
        self.addStep(JoinStep(fork=fork))
        self.addStep(D())
class schrodinger.stepper.sideinputs.ForkStep(step)[source]

Bases: schrodinger.tasks.stepper.UnbatchedReduceStep

__init__(step)[source]

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

Input = None
Output = None
reduceFunction(inps)[source]
getSerializer()[source]
getPipeFilename()[source]
report(prefix='')[source]

Report the settings and batch settings for this step.

InputSerializer

alias of schrodinger.tasks.stepper._DynamicSerializer

OutputSerializer

alias of schrodinger.tasks.stepper._DynamicSerializer

Settings

alias of schrodinger.models.parameters.CompoundParam

blockSignals(self, bool) → bool
childEvent(self, QChildEvent)
children(self) → List[QObject]
cleanUp()

Hook for adding any type of work that needs to happen after all outputs are exhausted or if some outputs are created and the step is destroyed.

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]

getLicenseRequirements()
getOutputSerializer()
getOutputs()

Gets all the outputs in a list by fully iterating the output generator.

getRunInfo()
getStepId()
inherits(self, str) → bool
inputs()
installEventFilter(self, QObject)
isBigQueryBatched()
isSignalConnected(self, QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, int)
metaObject(self) → QMetaObject
moveToThread(self, QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

outputs(*args, **kwargs)
parent(self) → QObject
prettyPrintRunInfo()

Format and print info about the step’s run.

progressUpdated
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
setInputBQTable(bq_table, bq_dataset=None)
setInputFile(fname)
setInputs(*args, **kwargs)
setObjectName(self, str)
setOutputBQTable(bq_table)
setParent(self, QObject)
setProperty(self, str, Any) → bool
setSettings(*args, **kwargs)
setUp()

Hook for adding any type of work that needs to happen before any outputs are created.

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
validateSettings()

Check whether the step settings are valid and return a list of SettingsError and SettingsWarning to report any invalid settings. Default implementation checks that all stepper files are set to valid file paths.

Return type

list[TaskError or TaskWarning]

writeOutputsToFile(fname)

Write outputs to fname. By default, the output file will consist of one line for each output with whatever is produced when passing the out- put to str. Override this method if more complex behavior is needed.

writeOutputsToTable()
class schrodinger.stepper.sideinputs.JoinStep(fork)[source]

Bases: schrodinger.tasks.stepper.UnbatchedReduceStep

__init__(fork)[source]

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

property Input
property Output
reduceFunction(inps)[source]
report(prefix='')[source]

Report the settings and batch settings for this step.

InputSerializer

alias of schrodinger.tasks.stepper._DynamicSerializer

OutputSerializer

alias of schrodinger.tasks.stepper._DynamicSerializer

Settings

alias of schrodinger.models.parameters.CompoundParam

blockSignals(self, bool) → bool
childEvent(self, QChildEvent)
children(self) → List[QObject]
cleanUp()

Hook for adding any type of work that needs to happen after all outputs are exhausted or if some outputs are created and the step is destroyed.

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]

getLicenseRequirements()
getOutputSerializer()
getOutputs()

Gets all the outputs in a list by fully iterating the output generator.

getRunInfo()
getStepId()
inherits(self, str) → bool
inputs()
installEventFilter(self, QObject)
isBigQueryBatched()
isSignalConnected(self, QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, int)
metaObject(self) → QMetaObject
moveToThread(self, QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

outputs(*args, **kwargs)
parent(self) → QObject
prettyPrintRunInfo()

Format and print info about the step’s run.

progressUpdated
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
setInputBQTable(bq_table, bq_dataset=None)
setInputFile(fname)
setInputs(*args, **kwargs)
setObjectName(self, str)
setOutputBQTable(bq_table)
setParent(self, QObject)
setProperty(self, str, Any) → bool
setSettings(*args, **kwargs)
setUp()

Hook for adding any type of work that needs to happen before any outputs are created.

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
validateSettings()

Check whether the step settings are valid and return a list of SettingsError and SettingsWarning to report any invalid settings. Default implementation checks that all stepper files are set to valid file paths.

Return type

list[TaskError or TaskWarning]

writeOutputsToFile(fname)

Write outputs to fname. By default, the output file will consist of one line for each output with whatever is produced when passing the out- put to str. Override this method if more complex behavior is needed.

writeOutputsToTable()