def _make_null_mover_step(mccycle, path_sim_mover, null_mover):
empty_sample_set = paths.SampleSet([])
change = paths.PathSimulatorMoveChange(
mover=path_sim_mover, subchange=null_mover.move(empty_sample_set))
step = paths.MCStep(mccycle=mccycle,
active=empty_sample_set,
change=change)
return step
def _make_acceptance_mock_step(mccycle,
accepted,
path_sim_mover,
move_type,
mover_sig,
submover_num=None):
root_mover = path_sim_mover.mover
chooser_names = {m.name[:-7].lower(): m for m in root_mover.movers}
chooser = chooser_names[move_type]
sig_to_mover = {
frozenset(m.ensemble_signature[0]): m
for m in chooser.movers
}
# group_mover = chooser.movers[mover_num]
group_mover = sig_to_mover[frozenset(mover_sig)]
Change = {
True: paths.AcceptedSampleMoveChange,
False: paths.RejectedSampleMoveChange
}[accepted]
# foo here is because we need non-empty samples to show that we're
# actually accepted or not (WHY?!?!?)
if submover_num is not None:
submover = group_mover.movers[submover_num]
submover_change = Change(samples=['foo'], mover=submover)
group_mover_change = paths.RandomChoiceMoveChange(
subchange=submover_change, mover=group_mover)
else:
submover_change = None
group_mover_change = Change(samples=['foo'], mover=group_mover)
chooser_change = paths.RandomChoiceMoveChange(subchange=group_mover_change,
mover=chooser)
root_mover_change = paths.RandomChoiceMoveChange(subchange=chooser_change,
mover=root_mover)
path_sim_change = paths.PathSimulatorMoveChange(
subchange=root_mover_change, mover=path_sim_mover)
step = paths.MCStep(mccycle=mccycle,
active=paths.SampleSet([]),
change=path_sim_change)
return step
def run(self, step_info_list):
"""
Parameters
----------
step_info_list : list of tuple
(replica, trial_trajectory, shooting_point_index, accepted) or
(replica, one_way_trial_segment, shooting_point_index, accepted,
direction)
"""
mcstep = None
if self.step == 0:
if self.storage is not None:
self.storage.save(self.scheme)
self.save_initial_step()
for step_info in step_info_list:
self.step += 1
if len(step_info
) == 4 and not self.mover.pre_joined: # pragma: no-cover
raise RuntimeError(
"Shooting trial trajectories not pre-joined: " +
"step_info must be (replica, trial_segment, " +
"shooting_pt_idx, accepted, direction)")
replica = step_info[0]
trial_trajectory = step_info[1]
shooting_point_index = step_info[2]
accepted = step_info[3]
direction = None
if len(step_info) == 5:
direction = step_info[4]
input_sample = self.sample_set[replica]
if shooting_point_index < 0:
shooting_point_index += len(input_sample.trajectory)
shooting_point = input_sample.trajectory[shooting_point_index]
subchange = self.mover.move(input_sample, trial_trajectory,
shooting_point, accepted, direction)
change = paths.PathSimulatorMoveChange(
subchange=subchange,
mover=self._path_sim_mover,
details=paths.MoveDetails(step=self.step))
samples = change.results
new_sampleset = self.sample_set.apply_samples(samples)
mcstep = paths.MCStep(simulation=self,
mccycle=self.step,
previous=self.sample_set,
active=new_sampleset,
change=change)
if self.storage is not None:
self.storage.steps.save(mcstep)
if self.step % self.save_frequency == 0:
self.sample_set.sanity_check()
self.sync_storage()
self.sample_set = new_sampleset
self.sync_storage()