def test_pickling(simulation_factory, two_particle_snapshot_factory): """Test that RemoveDrift objects are picklable.""" sim = simulation_factory(two_particle_snapshot_factory()) remove_drift = hoomd.update.RemoveDrift(trigger=hoomd.trigger.Periodic(5), reference_positions=[(0, 0, 1), (-1, 0, 1)]) operation_pickling_check(remove_drift, sim)
def test_pickling(simulation_factory, two_particle_snapshot_factory): """Test pickling `hoomd.tune.ParticleSorter`.""" sim = simulation_factory(two_particle_snapshot_factory()) # need to remove tuner since operation_pickling_check adds operation to # simulation sorter = sim.operations.tuners.pop() operation_pickling_check(sorter, sim)
def test_pickling(box_move, simulation_factory, two_particle_snapshot_factory): boxmc = hoomd.hpmc.update.BoxMC(betaP=hoomd.variant.Constant(3)) setattr(boxmc, box_move['move'], box_move['params']) sim = simulation_factory(two_particle_snapshot_factory()) mc = hoomd.hpmc.integrate.Sphere() mc.shape['A'] = dict(diameter=1) sim.operations.integrator = mc operation_pickling_check(boxmc, sim)
def test_pickling(simulation_factory, two_particle_snapshot_factory): """Test that QuickCompress objects are picklable.""" qc = hoomd.hpmc.update.QuickCompress(trigger=hoomd.trigger.Periodic(10), target_box=hoomd.Box.square(10.)) sim = simulation_factory(two_particle_snapshot_factory()) mc = hoomd.hpmc.integrate.Sphere(default_d=0.05) mc.shape['A'] = dict(diameter=1) sim.operations.integrator = mc operation_pickling_check(qc, sim)
def test_pickling(simulation_factory, two_particle_snapshot_factory): """Test that Cluster objects are picklable.""" sim = simulation_factory(two_particle_snapshot_factory()) mc = hoomd.hpmc.integrate.Sphere(default_d=0.1, default_a=0.1) mc.shape['A'] = dict(diameter=1.1) mc.shape['B'] = dict(diameter=1.3) sim.operations.integrator = mc cl = hoomd.hpmc.update.Clusters(trigger=hoomd.trigger.Periodic(5), pivot_move_probability=0.1) operation_pickling_check(cl, sim)
def test_pickling(lattice_snapshot_factory, simulation_factory): """Assert the minimizer can be pickled when attached/unattached.""" snap = lattice_snapshot_factory(a=1.5, n=5) sim = simulation_factory(snap) nve = md.methods.NVE(hoomd.filter.All()) fire = md.minimize.FIRE(dt=0.0025, force_tol=1e-1, angmom_tol=1e-1, energy_tol=1e-5, methods=[nve]) operation_pickling_check(fire, sim)
def test_pickling(valid_args, simulation_factory, two_particle_snapshot_factory): integrator = valid_args[0] args = valid_args[1] # Need to unpack union integrators if isinstance(integrator, tuple): inner_integrator = integrator[0] integrator = integrator[1] inner_mc = inner_integrator() for i in range(len(args["shapes"])): # This will fill in default values for the inner shape objects inner_mc.shape["A"] = args["shapes"][i] args["shapes"][i] = inner_mc.shape["A"] mc = integrator() mc.shape["A"] = args # L needs to be ridiculously large as to not be too small for the domain # decomposition of some of the shapes definitions in valid_args which have # shapes with large extent in at least one dimension. sim = simulation_factory(two_particle_snapshot_factory(L=1000)) operation_pickling_check(mc, sim)
def test_pickling(self, move_size_tuner, simulation): operation_pickling_check(move_size_tuner, simulation)
def test_pickling(simulation_factory, two_particle_snapshot_factory, logger): sim = simulation_factory(two_particle_snapshot_factory()) table = hoomd.write.Table(1, logger) operation_pickling_check(table, sim)
def test_pickling(simulation_factory, two_particle_snapshot_factory, tmp_path): filename = tmp_path / "temporary_test_file.dcd" sim = simulation_factory(two_particle_snapshot_factory()) dcd_dump = hoomd.write.DCD(filename, hoomd.trigger.Periodic(1)) operation_pickling_check(dcd_dump, sim)
def test_pickling(simulation_factory, two_particle_snapshot_factory, box_resize): sim = simulation_factory(two_particle_snapshot_factory()) operation_pickling_check(box_resize, sim)
def test_pickling(integrator_cls, integrator_args, shape, simulation_factory, two_particle_snapshot_factory): mc = integrator_cls(**integrator_args) mc.shape["A"] = shape sim = simulation_factory(two_particle_snapshot_factory(L=1000)) operation_pickling_check(mc, sim)
def test_pickling(simulation_factory, two_particle_snapshot_factory): filter_ = hoomd.filter.All() thermo = hoomd.md.compute.ThermodynamicQuantities(filter_) sim = simulation_factory(two_particle_snapshot_factory()) operation_pickling_check(thermo, sim)
def test_pickling(self, boxmc_with_tuner, simulation): _, move_size_tuner = boxmc_with_tuner operation_pickling_check(move_size_tuner, simulation)