def test_status_assertion(self):
nonempty = tempfile.NamedTemporaryFile()
nonempty.write('data_test _tag value')
nonempty.flush()
empty = tempfile.NamedTemporaryFile()
empty.write('')
empty.flush()
calc = CiffilterCalculation()
parser = CiffilterParser(calc)
status, nodes = parser._get_output_nodes(nonempty.name, empty.name)
self.assertEquals(status, True)
status, nodes = parser._get_output_nodes(empty.name, nonempty.name)
self.assertEquals(status, False)
calc = CifcellcontentsCalculation()
parser = CifcellcontentsParser(calc)
status, nodes = parser._get_output_nodes(nonempty.name, empty.name)
self.assertEquals(status, True)
status, nodes = parser._get_output_nodes(empty.name, nonempty.name)
self.assertEquals(status, False)
def test_2(self):
stdout_messages = ["data_test _cell_length_a 10(1)"]
stderr_messages = ["first line", "last line"]
f = SandboxFolder()
stdout_file = "{}/{}".format(f.abspath, "aiida.out")
stderr_file = "{}/{}".format(f.abspath, "aiida.err")
with open(stdout_file, 'w') as of:
of.write("\n".join(stdout_messages))
of.flush()
with open(stderr_file, 'w') as ef:
ef.write("\n".join(stderr_messages))
ef.flush()
parser = CiffilterParser(CiffilterCalculation())
success, nodes = parser._get_output_nodes(stdout_file, stderr_file)
self.assertEquals(success, True)
self.assertEquals(len(nodes), 2)
self.assertEquals(nodes[0][0], 'cif')
self.assertEquals(isinstance(nodes[0][1], CifData), True)
self.assertEquals(nodes[0][1].generate_md5(),
'b5bb739a254514961a157503daf715eb')
self.assertEquals(nodes[1][0], 'messages')
self.assertEquals(isinstance(nodes[1][1], ParameterData), True)
def test_resource_validation(self):
calc = CiffilterCalculation()
calc.use_cif(CifData())
for key in [
'num_machines', 'num_mpiprocs_per_machine', 'tot_num_mpiprocs'
]:
with self.assertRaises(FeatureNotAvailable):
calc.set_resources({key: 2})
# Inner modification of resource parameters:
calc._set_attr('jobresource_params', {key: 2})
with self.assertRaises(FeatureNotAvailable):
calc._validate_resources(**calc.get_resources())
calc.set_resources({key: 1})