def test_addremovenodes(self):
"""
Test group addnotes command
"""
from aiida.orm.calculation import Calculation
calc = Calculation()
calc._set_attr("attr1", "OK") # pylint: disable=protected-access
calc._set_attr("attr2", "OK") # pylint: disable=protected-access
calc.store()
result = self.runner.invoke(group_addnodes, ["--force", "--group=dummygroup1", calc.uuid])
self.assertIsNone(result.exception)
# check if node is added in group using group show command
result = self.runner.invoke(group_show, ["dummygroup1"])
self.assertIsNone(result.exception)
self.assertIn("Calculation", result.output)
self.assertIn(str(calc.pk), result.output)
## remove same node
result = self.runner.invoke(group_removenodes, ["--force", "--group=dummygroup1", calc.uuid])
self.assertIsNone(result.exception)
# check if node is added in group using group show command
result = self.runner.invoke(group_show, ["dummygroup1"])
self.assertIsNone(result.exception)
self.assertNotIn("Calculation", result.output)
self.assertNotIn(str(calc.pk), result.output)
def test_calculation_updatable_not_copied(self):
"""
Check that updatable attributes of Calculation are not copied
"""
a = Calculation()
a._set_attr('state', self.stateval)
a.store()
b = a.copy()
# updatable attributes are not copied
with self.assertRaises(AttributeError):
b.get_attr('state')
def test_calculation_updatable_attribute(self):
"""
Check that updatable attributes and only those can be mutated for a stored but unsealed Calculation
"""
a = Calculation()
attrs_to_set = {
'bool': self.boolval,
'integer': self.intval,
'float': self.floatval,
'string': self.stringval,
'dict': self.dictval,
'list': self.listval,
'state': self.stateval
}
for k, v in attrs_to_set.iteritems():
a._set_attr(k, v)
# Check before storing
a._set_attr(Calculation.PROCESS_STATE_KEY, self.stateval)
self.assertEquals(a.get_attr(Calculation.PROCESS_STATE_KEY), self.stateval)
a.store()
# Check after storing
self.assertEquals(a.get_attr(Calculation.PROCESS_STATE_KEY), self.stateval)
# I should be able to mutate the updatable attribute but not the others
a._set_attr(Calculation.PROCESS_STATE_KEY, 'FINISHED')
a._del_attr(Calculation.PROCESS_STATE_KEY)
# Deleting non-existing attribute should raise attribute error
with self.assertRaises(AttributeError):
a._del_attr(Calculation.PROCESS_STATE_KEY)
with self.assertRaises(ModificationNotAllowed):
a._set_attr('bool', False)
with self.assertRaises(ModificationNotAllowed):
a._del_attr('bool')
a.seal()
# After sealing, even updatable attributes should be immutable
with self.assertRaises(ModificationNotAllowed):
a._set_attr(Calculation.PROCESS_STATE_KEY, 'FINISHED')
with self.assertRaises(ModificationNotAllowed):
a._del_attr(Calculation.PROCESS_STATE_KEY)
def setUpClass(cls):
"""
Basides the standard setup we need to add few more objects in the
database to be able to explore different requests/filters/orderings etc.
"""
# call parent setUpClass method
super(RESTApiTestCase, cls).setUpClass()
# connect the app and the api
# Init the api by connecting it the the app (N.B. respect the following
# order, api.__init__)
kwargs = dict(PREFIX=cls._url_prefix,
PERPAGE_DEFAULT=cls._PERPAGE_DEFAULT,
LIMIT_DEFAULT=cls._LIMIT_DEFAULT)
cls.app = App(__name__)
cls.app.config['TESTING'] = True
api = AiidaApi(cls.app, **kwargs)
# create test inputs
cell = ((2., 0., 0.), (0., 2., 0.), (0., 0., 2.))
structure = StructureData(cell=cell)
structure.append_atom(position=(0., 0., 0.), symbols=['Ba'])
structure.store()
cif = CifData(ase=structure.get_ase())
cif.store()
parameter1 = ParameterData(dict={"a": 1, "b": 2})
parameter1.store()
parameter2 = ParameterData(dict={"c": 3, "d": 4})
parameter2.store()
kpoint = KpointsData()
kpoint.set_kpoints_mesh([4, 4, 4])
kpoint.store()
calc = Calculation()
calc._set_attr("attr1", "OK")
calc._set_attr("attr2", "OK")
calc.store()
calc.add_link_from(structure)
calc.add_link_from(parameter1)
kpoint.add_link_from(calc, link_type=LinkType.CREATE)
calc1 = Calculation()
calc1.store()
from aiida.orm.computer import Computer
dummy_computers = [{
"name": "test1",
"hostname": "test1.epfl.ch",
"transport_type": "ssh",
"scheduler_type": "pbspro",
}, {
"name": "test2",
"hostname": "test2.epfl.ch",
"transport_type": "ssh",
"scheduler_type": "torque",
}, {
"name": "test3",
"hostname": "test3.epfl.ch",
"transport_type": "local",
"scheduler_type": "slurm",
}, {
"name": "test4",
"hostname": "test4.epfl.ch",
"transport_type": "ssh",
"scheduler_type": "slurm",
}]
for dummy_computer in dummy_computers:
computer = Computer(**dummy_computer)
computer.store()
# Prepare typical REST responses
cls.process_dummy_data()
def setUpClass(cls):
"""
Basides the standard setup we need to add few more objects in the
database to be able to explore different requests/filters/orderings etc.
"""
# call parent setUpClass method
super(RESTApiTestCase, cls).setUpClass()
# create test inputs
cell = ((2., 0., 0.), (0., 2., 0.), (0., 0., 2.))
structure = StructureData(cell=cell)
structure.append_atom(position=(0., 0., 0.), symbols=['Ba'])
structure.store()
parameter1 = ParameterData(dict={"a": 1, "b": 2})
parameter1.store()
parameter2 = ParameterData(dict={"c": 3, "d": 4})
parameter2.store()
kpoint = KpointsData()
kpoint.set_kpoints_mesh([4, 4, 4])
kpoint.store()
calc = Calculation()
calc._set_attr("attr1", "OK")
calc._set_attr("attr2", "OK")
calc.store()
calc.add_link_from(structure)
calc.add_link_from(parameter1)
kpoint.add_link_from(calc, link_type=LinkType.CREATE)
calc1 = Calculation()
calc1.store()
from aiida.orm.computer import Computer
dummy_computers = [{
"name": "test1",
"hostname": "test1.epfl.ch",
"transport_type": "ssh",
"scheduler_type": "pbspro",
}, {
"name": "test2",
"hostname": "test2.epfl.ch",
"transport_type": "ssh",
"scheduler_type": "torque",
}, {
"name": "test3",
"hostname": "test3.epfl.ch",
"transport_type": "local",
"scheduler_type": "slurm",
}, {
"name": "test4",
"hostname": "test4.epfl.ch",
"transport_type": "ssh",
"scheduler_type": "slurm",
}]
for dummy_computer in dummy_computers:
computer = Computer(**dummy_computer)
computer.store()
# Prepare typical REST responses
cls.process_dummy_data()
