# -*- coding: utf-8 -*-
###########################################################################
# Copyright (c), The AiiDA team. All rights reserved. #
# This file is part of the AiiDA code. #
# #
# The code is hosted on GitHub at https://github.com/aiidateam/aiida_core #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
from aiida.common.lang import override
from aiida.common.links import LinkType
from aiida.orm.implementation.calculation import Calculation
[docs]class WorkCalculation(Calculation):
"""
Used to represent a calculation generated by a Process from the new
workflows system.
"""
ABORTED_KEY = '_aborted'
DO_ABORT_KEY = '_do_abort'
_updatable_attributes = Calculation._updatable_attributes + (ABORTED_KEY, DO_ABORT_KEY)
[docs] @override
def has_finished(self):
return self.has_finished_ok() or self.has_failed() or self.has_aborted()
[docs] @override
def has_finished_ok(self):
"""
Returns True if the work calculation finished normally, False otherwise
(could be that it's still running)
:return: True if finished successfully, False otherwise.
:rtype: bool
"""
return self.get_attr(self.FINISHED_KEY, False)
[docs] @override
def has_failed(self):
"""
Returns True if the work calculation failed because of an exception,
False otherwise
:return: True if the calculation has failed, False otherwise.
:rtype: bool
"""
return self.get_attr(self.FAILED_KEY, False)
[docs] def has_aborted(self):
"""
Returns True if the work calculation was killed and is
:return: True if the calculation was killed, False otherwise.
:rtype: bool
"""
return self.get_attr(self.ABORTED_KEY, False)
[docs] def kill(self):
"""
Kill a WorkCalculation and all its children.
"""
from aiida.orm.calculation.job import JobCalculation
from aiida.common.exceptions import InvalidOperation
if not self.is_sealed:
self._set_attr(self.DO_ABORT_KEY, 'killed by user')
for child in self.get_outputs(link_type=LinkType.CALL):
try:
child.kill()
except InvalidOperation as e:
if isinstance(child, JobCalculation):
# Cannot kill calculations that are already killed: skip and go to the next step
pass
else:
raise