# -*- coding: utf-8 -*-
from aiida.orm.node import Node
from aiida.orm.workflow import Workflow
from aiida.orm.calculation import Calculation
from aiida.orm.calculation.job import JobCalculation
from aiida.orm.data import Data
from aiida.orm.code import Code
from aiida.orm.computer import Computer
from aiida.orm.group import Group
__copyright__ = u"Copyright (c), 2015, ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (NCCR MARVEL)), Switzerland and ROBERT BOSCH LLC, USA. All rights reserved."
__license__ = "MIT license, see LICENSE.txt file"
__version__ = "0.4.1"
__contributors__ = "Andrea Cepellotti, Andrius Merkys, Giovanni Pizzi, Nicolas Mounet"
[docs]def CalculationFactory(module, from_abstract=False):
"""
Return a suitable JobCalculation subclass.
:param module: a valid string recognized as a Calculation plugin
:param from_abstract: A boolean. If False (default), actually look only
to subclasses to JobCalculation, not to the base Calculation class.
If True, check for valid strings for plugins of the Calculation base class.
"""
from aiida.common.pluginloader import BaseFactory
if from_abstract:
return BaseFactory(module, Calculation, "aiida.orm.calculation")
else:
return BaseFactory(module, JobCalculation, "aiida.orm.calculation.job",
suffix="Calculation")
[docs]def DataFactory(module):
"""
Return a suitable Data subclass.
"""
from aiida.common.pluginloader import BaseFactory
return BaseFactory(module, Data, "aiida.orm.data")
[docs]def WorkflowFactory(module):
"""
Return a suitable Workflow subclass.
"""
from aiida.common.pluginloader import BaseFactory
return BaseFactory(module, Workflow, "aiida.workflows")
[docs]def load_node(node_id=None,pk=None,uuid=None):
"""
Return an AiiDA node given PK or UUID.
:param node_id: PK (integer) or UUID (string) or a node
:param pk: PK of a node
:param uuid: UUID of a node
:return: an AiiDA node
:raises: ValueError if none or more than one of parameters is supplied
or type of node_id is neither string nor integer
"""
if int(node_id is None) + int(pk is None) + int(uuid is None) == 3:
raise ValueError("one of the parameters 'node_id', 'pk' and 'uuid' "
"has to be supplied")
if int(node_id is None) + int(pk is None) + int(uuid is None) < 2:
raise ValueError("only one of parameters 'node_id', 'pk' and 'uuid' "
"has to be supplied")
if node_id is not None:
if isinstance(node_id,str) or isinstance(node_id,unicode):
return Node.get_subclass_from_uuid(node_id)
elif isinstance(node_id,int):
return Node.get_subclass_from_pk(node_id)
else:
raise ValueError("'node_id' has to be either string, unicode or "
"integer, {} given".format(type(node_id)))
if pk is not None:
return Node.get_subclass_from_pk(pk)
else:
return Node.get_subclass_from_uuid(uuid)
[docs]def load_workflow(wf_id=None,pk=None,uuid=None):
"""
Return an AiiDA workflow given PK or UUID.
:param wf_id: PK (integer) or UUID (string) or a workflow
:param pk: PK of a workflow
:param uuid: UUID of a workflow
:return: an AiiDA workflow
:raises: ValueError if none or more than one of parameters is supplied
or type of wf_id is neither string nor integer
"""
if int(wf_id is None) + int(pk is None) + int(uuid is None) == 3:
raise ValueError("one of the parameters 'wf_id', 'pk' and 'uuid' "
"has to be supplied")
if int(wf_id is None) + int(pk is None) + int(uuid is None) < 2:
raise ValueError("only one of parameters 'wf_id', 'pk' and 'uuid' "
"has to be supplied")
if wf_id is not None:
if isinstance(wf_id,str) or isinstance(wf_id,unicode):
return Workflow.get_subclass_from_uuid(wf_id)
elif isinstance(wf_id,int):
return Workflow.get_subclass_from_pk(wf_id)
else:
raise ValueError("'wf_id' has to be either string, unicode or "
"integer, {} given".format(type(wf_id)))
if pk is not None:
return Workflow.get_subclass_from_pk(pk)
else:
return Workflow.get_subclass_from_uuid(uuid)