Source code for aiida.orm.implementation.general.calculation.work

# -*- coding: utf-8 -*-
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# 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               #
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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