def trigger_preprocessing(trigger):
if isinstance(trigger, Trigger):
return trigger
else:
try:
return Periodic(period=int(trigger), phase=0)
except Exception:
raise ValueError("Expected a hoomd.trigger.Trigger or int object.")
def update(state, box, filter=All()):
"""Immediately scale the particle in the system state to the given box.
Args:
state (State): System state to scale.
box (Box): New box.
filter (hoomd.filter.ParticleFilter): The subset of particles to
update.
"""
group = state._get_group(filter)
updater = _hoomd.BoxResizeUpdater(state._cpp_sys_def, Periodic(1),
state.box._cpp_obj, box._cpp_obj,
Constant(1), group)
updater.update(state._simulation.timestep)
def write(state, filename, filter=All(), mode='wb', log=None):
"""Write the given simulation state out to a GSD file.
Args:
state (State): Simulation state.
filename (str): File name to write.
filter (hoomd.filter.ParticleFilter): Select the particles to write.
mode (str): The file open mode. Defaults to ``'wb'``.
log (hoomd.logging.Logger): Provide log quantities to write.
The valid file modes for `write` are ``'wb'`` and ``'xb'``.
"""
if mode != 'wb' and mode != 'xb':
raise ValueError(f"Invalid GSD.write file mode: {mode}")
writer = _hoomd.GSDDumpWriter(state._cpp_sys_def,
Periodic(1), filename,
state._get_group(filter), mode, False)
if log is not None:
writer.log_writer = _GSDLogWriter(log)
writer.analyze(state._simulation.timestep)