plumpy.workchains module

plumpy.workchains.ToContext

alias of builtins.dict

class plumpy.workchains.WorkChain(*args: Any, **kwargs: Any)[source]

Bases: plumpy.mixins.ContextMixin, plumpy.processes.Process

A WorkChain is a series of instructions carried out with the ability to save state in between.

_CONTEXT = 'CONTEXT'
_STEPPER_STATE = 'stepper_state'
_abc_impl = <_abc_data object>
_do_step() → Any[source]
_spec_class

alias of WorkChainSpec

classmethod get_state_classes() → Dict[Hashable, Type[plumpy.process_states.State]][source]
load_instance_state(saved_state: MutableMapping[str, Any], load_context: plumpy.persistence.LoadSaveContext) → None[source]

Load the process from its saved instance state.

Parameters

  • saved_state – A bundle to load the state from

  • load_context – The load context

on_create() → None[source]
run() → Any[source]

This function will be run when the process is triggered. It should be overridden by a subclass.

save_instance_state(out_state: MutableMapping[str, Any], save_context: Optional[plumpy.persistence.LoadSaveContext]) → None[source]

Add the instance state to out_state. .. important:

The instance state will contain a pointer to the ``ctx``,
and so should be deep copied or serialised before persisting.
classmethod spec() → plumpy.workchains.WorkChainSpec[source]
to_context(**kwargs: Union[_asyncio.Future, plumpy.processes.Process]) → None[source]

This is a convenience method that provides syntactic sugar, for a user to add multiple intersteps that will assign a certain value to the corresponding key in the context of the workchain

class plumpy.workchains.WorkChainSpec[source]

Bases: plumpy.process_spec.ProcessSpec

get_description() → Dict[str, str][source]

Get a description of this process specification

Returns

a dictionary with the descriptions of the input and output port namespaces

get_outline() → Union[plumpy.workchains._Instruction, plumpy.workchains._FunctionCall][source]
outline(*commands: Union[_Instruction, Callable[[WorkChain], Any]]) → None[source]

Define the outline that describes this work chain.

Parameters

commands – One or more functions that make up this work chain.

plumpy.workchains.if_(condition: Callable[[WorkChain], bool]) → plumpy.workchains._If[source]

A conditional that can be used in a workchain outline.

Use as:

if_(cls.conditional)(
  cls.step1,
  cls.step2
)

Each step can, of course, also be any valid workchain step e.g. conditional.

Parameters

condition – The workchain method that will return True or False

plumpy.workchains.return_ = <plumpy.workchains._Return object>

A global singleton that contains a Return instruction that allows to exit out of the workchain outline directly with None as exit code To set a specific exit code, call it with the desired exit code

Use as:

if_(cls.conditional)(
  return_
)

or:

if_(cls.conditional)(
  return_(EXIT_CODE)
)
Parameters

exit_code – an integer exit code to pass as the return value, None by default

plumpy.workchains.while_(condition: Callable[[WorkChain], bool]) → plumpy.workchains._While[source]

A while loop that can be used in a workchain outline.

Use as:

while_(cls.conditional)(
  cls.step1,
  cls.step2
)

Each step can, of course, also be any valid workchain step e.g. conditional.

Parameters

condition – The workchain method that will return True or False

plumpy.utils module Changelog