def test_with_subclasses(self, computer):
extra_name = self.__class__.__name__ + "/test_with_subclasses"
calc_params = {
'computer': computer,
'resources': {
'num_machines': 1,
'num_mpiprocs_per_machine': 1
}
}
TemplateReplacerCalc = CalculationFactory(
'simpleplugins.templatereplacer')
ParameterData = DataFactory('parameter')
a1 = JobCalculation(**calc_params).store()
# To query only these nodes later
a1.set_extra(extra_name, True)
a2 = TemplateReplacerCalc(**calc_params).store()
# To query only these nodes later
a2.set_extra(extra_name, True)
a3 = Data().store()
a3.set_extra(extra_name, True)
a4 = ParameterData(dict={'a': 'b'}).store()
a4.set_extra(extra_name, True)
a5 = Node().store()
a5.set_extra(extra_name, True)
# I don't set the extras, just to be sure that the filtering works
# The filtering is needed because other tests will put stuff int he DB
a6 = JobCalculation(**calc_params)
a6.store()
a7 = Node()
a7.store()
# Query by calculation
results = list(JobCalculation.query(dbextras__key=extra_name))
# a3, a4, a5 should not be found because they are not JobCalculations.
# a6, a7 should not be found because they have not the attribute set.
self.assertEquals(set([i.pk for i in results]), set([a1.pk, a2.pk]))
# Same query, but by the generic Node class
results = list(Node.query(dbextras__key=extra_name))
self.assertEquals(set([i.pk for i in results]),
set([a1.pk, a2.pk, a3.pk, a4.pk, a5.pk]))
# Same query, but by the Data class
results = list(Data.query(dbextras__key=extra_name))
self.assertEquals(set([i.pk for i in results]), set([a3.pk, a4.pk]))
# Same query, but by the ParameterData subclass
results = list(ParameterData.query(dbextras__key=extra_name))
self.assertEquals(set([i.pk for i in results]), set([a4.pk]))
# Same query, but by the TemplateReplacerCalc subclass
results = list(TemplateReplacerCalc.query(dbextras__key=extra_name))
self.assertEquals(set([i.pk for i in results]), set([a2.pk]))
def run_listislands(self, *args):
"""
List all AiiDA nodes, that have no parents and children.
"""
load_dbenv()
from django.db.models import Q
from aiida.orm.node import Node
from aiida.backends.utils import get_automatic_user
q_object = Q(user=get_automatic_user())
q_object.add(Q(parents__isnull=True), Q.AND)
q_object.add(Q(children__isnull=True), Q.AND)
node_list = Node.query(q_object).distinct().order_by('ctime')
print "ID\tclass"
for node in node_list:
print "{}\t{}".format(node.pk, node.__class__.__name__)
def test_links_and_queries(self):
from aiida.backends.djsite.db.models import DbNode, DbLink
a = Node()
a._set_attr('myvalue', 123)
a.store()
a2 = Node().store()
a3 = Node()
a3._set_attr('myvalue', 145)
a3.store()
a4 = Node().store()
a2.add_link_from(a)
a3.add_link_from(a2)
a4.add_link_from(a2)
a4.add_link_from(a3)
b = Node.query(pk=a2)
self.assertEquals(len(b), 1)
# It is a aiida.orm.Node instance
self.assertTrue(isinstance(b[0], Node))
self.assertEquals(b[0].uuid, a2.uuid)
going_out_from_a2 = Node.query(inputs__in=b)
# Two nodes going out from a2
self.assertEquals(len(going_out_from_a2), 2)
self.assertTrue(isinstance(going_out_from_a2[0], Node))
self.assertTrue(isinstance(going_out_from_a2[1], Node))
uuid_set = set([going_out_from_a2[0].uuid, going_out_from_a2[1].uuid])
# I check that I can query also directly the django DbNode
# class passing a aiida.orm.Node entity
going_out_from_a2_db = DbNode.objects.filter(inputs__in=b)
self.assertEquals(len(going_out_from_a2_db), 2)
self.assertTrue(isinstance(going_out_from_a2_db[0], DbNode))
self.assertTrue(isinstance(going_out_from_a2_db[1], DbNode))
uuid_set_db = set(
[going_out_from_a2_db[0].uuid, going_out_from_a2_db[1].uuid])
# I check that doing the query with a Node or DbNode instance,
# I get the same nodes
self.assertEquals(uuid_set, uuid_set_db)
# This time I don't use the __in filter, but I still pass a Node instance
going_out_from_a2_bis = Node.query(inputs=b[0])
self.assertEquals(len(going_out_from_a2_bis), 2)
self.assertTrue(isinstance(going_out_from_a2_bis[0], Node))
self.assertTrue(isinstance(going_out_from_a2_bis[1], Node))
# Query for links starting from b[0]==a2 using again the Node class
output_links_b = DbLink.objects.filter(input=b[0])
self.assertEquals(len(output_links_b), 2)
self.assertTrue(isinstance(output_links_b[0], DbLink))
self.assertTrue(isinstance(output_links_b[1], DbLink))
uuid_set_db_link = set(
[output_links_b[0].output.uuid, output_links_b[1].output.uuid])
self.assertEquals(uuid_set, uuid_set_db_link)
# Query for related fields using django syntax
# Note that being myvalue an attribute, it is internally stored starting
# with an underscore
nodes_with_given_attribute = Node.query(dbattributes__key='myvalue',
dbattributes__ival=145)
# should be entry a3
self.assertEquals(len(nodes_with_given_attribute), 1)
self.assertTrue(isinstance(nodes_with_given_attribute[0], Node))
self.assertEquals(nodes_with_given_attribute[0].uuid, a3.uuid)
def test_links_and_queries(self):
a = Node()
a._set_attr('myvalue', 123)
a.store()
a2 = Node().store()
a3 = Node()
a3._set_attr('myvalue', 145)
a3.store()
a4 = Node().store()
a2.add_link_from(a)
a3.add_link_from(a2)
a4.add_link_from(a2)
a4.add_link_from(a3)
b = Node.query(id=a2.id).all()
self.assertEquals(len(b), 1)
# It is a aiida.orm.Node instance
self.assertTrue(isinstance(b[0], Node))
self.assertEquals(b[0].uuid, a2.uuid)
going_out_from_a2 = Node.query(inputs__id__in=[_.id for _ in b]).all()
# Two nodes going out from a2
self.assertEquals(len(going_out_from_a2), 2)
self.assertTrue(isinstance(going_out_from_a2[0], Node))
self.assertTrue(isinstance(going_out_from_a2[1], Node))
uuid_set = set([going_out_from_a2[0].uuid, going_out_from_a2[1].uuid])
# I check that I can query also directly the django DbNode
# class passing a aiida.orm.Node entity
# # XXX SP: we can't do this using SqlAlchemy => pass a Node instance and
# # expect a filter on the DbNode id
# going_out_from_a2_db = DbNode.query.filter(DbNode.inputs.in_(b)).all()
# self.assertEquals(len(going_out_from_a2_db), 2)
# self.assertTrue(isinstance(going_out_from_a2_db[0], DbNode))
# self.assertTrue(isinstance(going_out_from_a2_db[1], DbNode))
# uuid_set_db = set([going_out_from_a2_db[0].uuid,
# going_out_from_a2_db[1].uuid])
#
# # I check that doing the query with a Node or DbNode instance,
# # I get the same nodes
# self.assertEquals(uuid_set, uuid_set_db)
#
# # This time I don't use the __in filter, but I still pass a Node instance
# going_out_from_a2_bis = Node.query(inputs=b[0]).all()
# self.assertEquals(len(going_out_from_a2_bis), 2)
# self.assertTrue(isinstance(going_out_from_a2_bis[0], Node))
# self.assertTrue(isinstance(going_out_from_a2_bis[1], Node))
#
# # Query for links starting from b[0]==a2 using again the Node class
# output_links_b = DbLink.query.filter_by(input=b[0])
# self.assertEquals(len(output_links_b), 2)
# self.assertTrue(isinstance(output_links_b[0], DbLink))
# self.assertTrue(isinstance(output_links_b[1], DbLink))
# uuid_set_db_link = set([output_links_b[0].output.uuid,
# output_links_b[1].output.uuid])
# self.assertEquals(uuid_set, uuid_set_db_link)
# Query for related fields using django syntax
# Note that being myvalue an attribute, it is internally stored starting
# with an underscore
nodes_with_given_attribute = Node.query(dbattributes__key='myvalue',
dbattributes__ival=145).all()
# should be entry a3
self.assertEquals(len(nodes_with_given_attribute), 1)
self.assertTrue(isinstance(nodes_with_given_attribute[0], Node))
self.assertEquals(nodes_with_given_attribute[0].uuid, a3.uuid)
