def __init__(self, Lx = None, Ly = None, Lz = None, xy = None, xz = None, yz = None, period = 1, L = None, phase=0, scale_particles=True):
hoomd.util.print_status_line();
# initialize base class
_updater.__init__(self);
self.metadata_fields = ['period']
if L is not None:
Lx = L;
Ly = L;
Lz = L;
if Lx is None and Ly is None and Lz is None and xy is None and xz is None and yz is None:
hoomd.context.msg.warning("update.box_resize: Ignoring request to setup updater without parameters\n")
return
box = hoomd.context.current.system_definition.getParticleData().getGlobalBox();
# setup arguments
if Lx is None:
Lx = box.getL().x;
if Ly is None:
Ly = box.getL().y;
if Lz is None:
Lz = box.getL().z;
if xy is None:
xy = box.getTiltFactorXY();
if xz is None:
xz = box.getTiltFactorXZ();
if yz is None:
yz = box.getTiltFactorYZ();
Lx = hoomd.variant._setup_variant_input(Lx);
Ly = hoomd.variant._setup_variant_input(Ly);
Lz = hoomd.variant._setup_variant_input(Lz);
xy = hoomd.variant._setup_variant_input(xy);
xz = hoomd.variant._setup_variant_input(xz);
yz = hoomd.variant._setup_variant_input(yz);
# store metadata
self.Lx = Lx
self.Ly = Ly
self.Lz = Lz
self.xy = xy
self.xz = xz
self.yz = yz
self.metadata_fields = ['Lx','Ly','Lz','xy','xz','yz']
# create the c++ mirror class
self.cpp_updater = _hoomd.BoxResizeUpdater(hoomd.context.current.system_definition, Lx.cpp_variant, Ly.cpp_variant, Lz.cpp_variant,
xy.cpp_variant, xz.cpp_variant, yz.cpp_variant);
self.cpp_updater.setParams(scale_particles);
if period is None:
self.cpp_updater.update(hoomd.context.current.system.getCurrentTimeStep());
else:
self.setupUpdater(period, phase);
def _attach(self):
self._cpp_obj = _hoomd.BoxResizeUpdater(
self._simulation.state._cpp_sys_def,
self.box1,
self.box2,
self.variant)
super()._attach()
def update(state, box):
"""Immediately scale the particle in the system state to the given box.
Args:
box (Box): New box.
"""
updater = _hoomd.BoxResizeUpdater(state._cpp_sys_def, state.box, box,
Constant(1))
updater.update(state._simulation.timestep)
def _attach(self):
group = self._simulation.state._get_group(self.filter)
self._cpp_obj = _hoomd.BoxResizeUpdater(
self._simulation.state._cpp_sys_def,
self.box1,
self.box2,
self.variant,
group
)
super()._attach()
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, state.box, box,
Constant(1), group)
updater.update(state._simulation.timestep)