Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

BaseRestartWorkChain: deal with namespaced outputs #4961

Merged
Merged
Show file tree
Hide file tree
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
6 changes: 4 additions & 2 deletions aiida/engine/processes/workchains/restart.py
Original file line number Diff line number Diff line change
Expand Up @@ -303,11 +303,13 @@ def results(self) -> Optional['ExitCode']:

self.report(f'work chain completed after {self.ctx.iteration} iterations')

exposed_outputs = self.exposed_outputs(node, self.process_class)

for name, port in self.spec().outputs.items():

try:
output = node.get_outgoing(link_label_filter=name).one().node
except ValueError:
output = exposed_outputs[name]
except KeyError:
if port.required:
self.report(f"required output '{name}' was not an output of {self.ctx.process_name}<{node.pk}>")
else:
Expand Down
47 changes: 46 additions & 1 deletion tests/engine/processes/workchains/test_restart.py
Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,7 @@
# pylint: disable=invalid-name,no-self-use,no-member
import pytest

from aiida import engine
from aiida import engine, orm
from aiida.engine.processes.workchains.awaitable import Awaitable


Expand Down Expand Up @@ -146,3 +146,48 @@ def mock_submit(_, process_class, **kwargs):
assert isinstance(result, engine.ToContext)
assert isinstance(result['children'], Awaitable)
assert process.node.get_extra(SomeWorkChain._considered_handlers_extra) == [[]] # pylint: disable=protected-access


class OutputNamespaceWorkChain(engine.WorkChain):
"""A WorkChain has namespaced output"""

@classmethod
def define(cls, spec):
super().define(spec)
spec.output_namespace('sub', valid_type=orm.Int, dynamic=True)
spec.outline(cls.finalize)

def finalize(self):
self.out('sub.result', orm.Int(1).store())


class CustomBRWorkChain(engine.BaseRestartWorkChain):
"""`BaseRestartWorkChain` of `OutputNamespaceWorkChain`"""

_process_class = OutputNamespaceWorkChain

@classmethod
def define(cls, spec):
super().define(spec)
spec.expose_outputs(cls._process_class)
spec.output('extra', valid_type=orm.Int)

spec.outline(
cls.setup,
engine.while_(cls.should_run_process)(
cls.run_process,
cls.inspect_process,
),
cls.results,
)

def setup(self):
super().setup()
self.ctx.inputs = {}


@pytest.mark.requires_rmq
def test_results():
res, node = engine.launch.run_get_node(CustomBRWorkChain)
assert res['sub'].result.value == 1
assert node.exit_status == 11