def set_box(self, box):
"""Set a new simulation box.
Args:
box (Box): New simulation box.
Note:
All particles must be inside the new box. `set_box` does not change
any particle properties.
See Also:
`hoomd.update.BoxResize.update`
"""
if self._in_context_manager:
raise RuntimeError(
"Cannot set system box within local snapshot context manager.")
try:
box = Box.from_box(box)
except Exception:
raise ValueError('{} is not convertable to hoomd.Box using '
'hoomd.Box.from_box'.format(box))
if box.dimensions != self._cpp_sys_def.getNDimensions():
self._simulation.device._cpp_msg.warning(
"Box changing dimensions from {} to {}."
"".format(self._cpp_sys_def.getNDimensions(), box.dimensions))
self._cpp_sys_def.setNDimensions(box.dimensions)
self._cpp_sys_def.getParticleData().setGlobalBox(box._cpp_obj)
def box(self):
"""hoomd.Box: The current simulation box.
Editing the box directly is not allowed. For example
``state.box.scale(1.1)`` would not scale the state's box. To set the
state's box to a new box ``state.box = new_box`` must be used.
"""
b = Box._from_cpp(self._cpp_sys_def.getParticleData().getGlobalBox())
return Box.from_box(b)
def box(self):
"""hoomd.Box: A copy of the current simulation box.
Note:
The `box` property cannot be set. Call `set_box` to set a new
simulation box.
"""
b = Box._from_cpp(self._cpp_sys_def.getParticleData().getGlobalBox())
return Box.from_box(b)
def box(self, value):
if self._in_context_manager:
raise RuntimeError(
"Cannot set system box within local snapshot context manager.")
try:
value = Box.from_box(value)
except Exception:
raise ValueError('{} is not convertable to hoomd.Box using '
'hoomd.Box.from_box'.format(value))
if value.dimensions != self._cpp_sys_def.getNDimensions():
self._simulation.device._cpp_msg.warning(
"Box changing dimensions from {} to {}."
"".format(self._cpp_sys_def.getNDimensions(),
value.dimensions))
self._cpp_sys_def.setNDimensions(value.dimensions)
self._cpp_sys_def.getParticleData().setGlobalBox(value._cpp_obj)