def test_restart(aiida_profile, fixture_localhost, generate_calc_job_node):
"""Test the generics of the `get_builder_restart`."""
entry_point_calc_job = 'quantumespresso.dos'
node = generate_calc_job_node(entry_point_calc_job, fixture_localhost,
'default', generate_inputs())
# The `DosCalculation` class is not yet supported
with pytest.raises(TypeError):
restart.get_builder_restart(node)
def test_restart_pw(aiida_profile, fixture_localhost, generate_calc_job_node):
"""Test the `get_builder_restart` for a completed `PwCalculation`."""
entry_point_calc_job = 'quantumespresso.pw'
node = generate_calc_job_node(entry_point_calc_job, fixture_localhost,
'default', generate_inputs())
builder = restart.get_builder_restart(node)
parameters = builder.parameters.get_dict()
assert isinstance(builder, ProcessBuilder)
assert parameters['CONTROL']['restart_mode'] == 'restart'
# Force `from_scratch`
builder = restart.get_builder_restart(node, from_scratch=True)
parameters = builder.parameters.get_dict()
assert isinstance(builder, ProcessBuilder)
assert parameters['CONTROL']['restart_mode'] == 'from_scratch'
def test_restart_neb(self, fixture_database, fixture_computer_localhost,
generate_calc_job_node, generate_inputs):
"""Test the `get_builder_restart` for a completed `NebCalculation`."""
entry_point_calc_job = 'quantumespresso.neb'
node = generate_calc_job_node(entry_point_calc_job,
fixture_computer_localhost, 'default',
generate_inputs)
builder = restart.get_builder_restart(node)
parameters = builder.parameters.get_dict()
assert isinstance(builder, ProcessBuilder)
assert parameters['PATH']['restart_mode'] == 'restart'
# Force `from_scratch`
builder = restart.get_builder_restart(node, from_scratch=True)
parameters = builder.parameters.get_dict()
assert isinstance(builder, ProcessBuilder)
assert parameters['PATH']['restart_mode'] == 'from_scratch'
def test_restart_ph(aiida_profile, fixture_localhost, generate_calc_job_node):
"""Test the `get_builder_restart` for a completed `PhCalculation`."""
entry_point_calc_job = 'quantumespresso.ph'
node = generate_calc_job_node(entry_point_calc_job, fixture_localhost,
'default', generate_inputs())
builder = restart.get_builder_restart(node)
parameters = builder.parameters.get_dict()
assert isinstance(builder, ProcessBuilder)
assert parameters['INPUTPH']['recover'] is True