def test_operations_setting(simulation_factory, lattice_snapshot_factory):
sim = simulation_factory()
sim.create_state_from_snapshot(lattice_snapshot_factory())
def check_operation_setting(sim, old_operations, new_operations):
assert sim.operations is not new_operations
assert new_operations._simulation is None
assert old_operations._simulation is sim
scheduled = old_operations._scheduled
sim.operations = new_operations
assert sim.operations is new_operations
assert new_operations._simulation is sim
assert old_operations._simulation is None
if scheduled:
assert new_operations._scheduled
assert not old_operations._scheduled
operations = hoomd.Operations()
# Add some operations to test the setting
operations += hoomd.update.BoxResize(trigger=40,
box1=hoomd.Box.cube(10),
box2=hoomd.Box.cube(20),
variant=hoomd.variant.Ramp(
0, 1, 0, 100))
operations += hoomd.write.GSD(filename="foo.gsd", trigger=10)
operations += hoomd.write.Table(10,
logger=hoomd.logging.Logger(['scalar']))
operations.tuners.clear()
# Check setting before scheduling
check_operation_setting(sim, sim.operations, operations)
sim.run(0)
# Check setting after scheduling
new_operations = hoomd.Operations()
new_operations += hoomd.update.BoxResize(trigger=80,
box1=hoomd.Box.cube(300),
box2=hoomd.Box.cube(20),
variant=hoomd.variant.Ramp(
0, 1, 0, 100))
new_operations += hoomd.write.GSD(filename="bar.gsd", trigger=20)
new_operations += hoomd.write.Table(20,
logger=hoomd.logging.Logger(['scalar'
]))
check_operation_setting(sim, sim.operations, new_operations)
def test_len():
operations = hoomd.Operations()
# ParticleSorter automatically added
assert len(operations) == 1
operations.tuners.clear()
assert len(operations) == 0
operations.integrator = FakeIntegrator()
operations.updaters.append(
hoomd.update.FilterUpdater(1, [hoomd.filter.Type(["A"])]))
operations.writers.append(hoomd.write.GSD(1, "filename.gsd"))
assert len(operations) == 3
def test_iter():
operations = hoomd.Operations()
# ParticleSorter automatically added
assert len(list(operations)) == 1
operations.updaters.append(
hoomd.update.FilterUpdater(1, [hoomd.filter.Type(["A"])]))
operations.writers.append(hoomd.write.GSD(1, "filename.gsd"))
expected_list = (operations._tuners[:] + operations._updaters[:] +
operations._writers[:])
assert list(operations) == expected_list
operations.integrator = FakeIntegrator()
expected_list.insert(2, operations.integrator)
assert list(operations) == expected_list