def setUp(self):
super(TestProcessBuilder, self).setUp()
self.assertIsNone(Process.current())
self.calculation_class = CalculationFactory(
'simpleplugins.templatereplacer')
self.process_class = self.calculation_class.process()
self.builder = self.process_class.get_builder()
def run_eos_wf(codename, pseudo_family, element):
print "Workfunction node identifiers: {}".format(Process.current().calc)
s0 = create_diamond_fcc(Str(element))
calcs = {}
for label, factor in zip(labels, scale_facs):
s = rescale(s0, Float(factor))
inputs = generate_scf_input_params(s, str(codename),
Str(pseudo_family))
print "Running a scf for {} with scale factor {}".format(
element, factor)
result = run(PwCalculation, **inputs)
print "RESULT: {}".format(result)
calcs[label] = get_info(result)
eos = []
for label in labels:
eos.append(calcs[label])
# Return information to plot the EOS
ParameterData = DataFactory('parameter')
retdict = {
'initial_structure': s0,
'result': ParameterData(dict={'eos_data': eos})
}
return retdict
def setUp(self):
super(TestWf, self).setUp()
self.assertIsNone(Process.current())
@workfunction
def wf_return_input(inp):
return {'result': inp}
@workfunction
def wf_return_true():
return get_true_node()
@workfunction
def wf_args(a):
return a
@workfunction
def wf_args_with_default(a=Int(DEFAULT_INT)):
return a
@workfunction
def wf_kwargs(**kwargs):
return kwargs
@workfunction
def wf_args_and_kwargs(a, **kwargs):
result = {'a': a}
result.update(kwargs)
return result
@workfunction
def wf_args_and_default(a, b=Int(DEFAULT_INT)):
return {'a': a, 'b': b}
@workfunction
def wf_default_label_description(a=Int(DEFAULT_INT),
label=DEFAULT_LABEL,
description=DEFAULT_DESCRIPTION):
return a
@workfunction
def wf_exit_code(exit_status, exit_message):
return ExitCode(exit_status.value, exit_message.value)
@workfunction
def wf_excepts(exception):
raise RuntimeError(exception.value)
self.wf_return_input = wf_return_input
self.wf_return_true = wf_return_true
self.wf_args = wf_args
self.wf_args_with_default = wf_args_with_default
self.wf_kwargs = wf_kwargs
self.wf_args_and_kwargs = wf_args_and_kwargs
self.wf_args_and_default = wf_args_and_default
self.wf_default_label_description = wf_default_label_description
self.wf_exit_code = wf_exit_code
self.wf_excepts = wf_excepts
def tearDown(self):
super(TestImmutableInputWorkchain, self).tearDown()
work.set_runner(None)
self.assertIsNone(Process.current())
def setUp(self):
super(TestImmutableInputWorkchain, self).setUp()
self.assertIsNone(Process.current())
self.runner = utils.create_test_runner()
def tearDown(self):
super(TestWorkChainAbortChildren, self).tearDown()
work.set_runner(None)
self.assertIsNone(Process.current())
def setUp(self):
super(TestWorkChainAbortChildren, self).setUp()
self.assertIsNone(Process.current())
self.runner = utils.create_test_runner(with_communicator=True)
def tearDown(self):
super(TestWorkchainWithOldWorkflows, self).tearDown()
work.set_runner(None)
self.runner.close()
self.runner = None
self.assertIsNone(Process.current())
def setUp(self):
super(TestProcess, self).setUp()
work.runners.set_runner(None)
self.assertIsNone(Process.current())
def tearDown(self):
super(TestSerializeWorkChain, self).tearDown()
work.set_runner(None)
self.assertIsNone(Process.current())
def setUp(self):
super(TestLaunchers, self).setUp()
self.assertIsNone(Process.current())
self.a = Int(1)
self.b = Int(2)
self.result = 3
def tearDown(self):
super(TestJobProcess, self).tearDown()
self.assertIsNone(Process.current())
self.runner.close()
self.runner = None
work.set_runner(None)
def setUp(self):
super(TestJobProcess, self).setUp()
self.assertIsNone(Process.current())
self.runner = utils.create_test_runner()
def setUp(self):
super(TestJobProcess, self).setUp()
self.assertIsNone(Process.current())
def setUp(self):
super(TestSerializeWorkChain, self).setUp()
self.assertIsNone(Process.current())
self.runner = utils.create_test_runner()
def tearDown(self):
super(TestWorkChainExpose, self).tearDown()
work.set_runner(None)
self.runner.close()
self.runner = None
self.assertIsNone(Process.current())
def setUp(self):
super(TestProcessNamespace, self).setUp()
self.assertIsNone(Process.current())
def setUp(self):
super(TestWorkchainWithOldWorkflows, self).setUp()
self.assertIsNone(Process.current())
self.runner = utils.create_test_runner()
def tearDown(self):
super(TestProcess, self).tearDown()
self.assertIsNone(Process.current())
def setUp(self):
super(TestProcessSpec, self).setUp()
self.assertIsNone(Process.current())
self.spec = Process.spec()