def __init__(self, network, selector=None, ensembles=None, engine=None):
super(OneWayShootingMoveScheme, self).__init__(network)
self.append(
move_strategy.OneWayShootingStrategy(selector=selector,
ensembles=ensembles,
engine=engine))
self.append(move_strategy.OrganizeByMoveGroupStrategy())
def __init__(self, network, engine=None):
super(DefaultScheme, self).__init__(network)
n_ensembles = len(network.sampling_ensembles)
self.append(move_strategy.NearestNeighborRepExStrategy())
self.append(move_strategy.OneWayShootingStrategy(engine=engine))
self.append(move_strategy.PathReversalStrategy())
self.append(move_strategy.MinusMoveStrategy(engine=engine))
global_strategy = move_strategy.OrganizeByMoveGroupStrategy()
self.append(global_strategy)
try:
msouters = self.network.special_ensembles['ms_outer']
except KeyError:
# if no ms_outer, ignore the ms_outer setup for now; later we
# might default to a state swap
pass
else:
for ms in msouters.keys():
self.append(
move_strategy.OneWayShootingStrategy(
ensembles=[ms],
group="ms_outer_shooting",
engine=engine))
self.append(
move_strategy.PathReversalStrategy(ensembles=[ms],
replace=False))
ms_neighbors = [t.ensembles[-1] for t in msouters[ms]]
pairs = [[ms, neighb] for neighb in ms_neighbors]
self.append(
move_strategy.SelectedPairsRepExStrategy(ensembles=pairs))