def test_build_balance_partners_no_partner(self):
ensA = self.scheme.network.sampling_transitions[0].ensembles[0]
ensB = self.scheme.network.sampling_transitions[0].ensembles[1]
hopAB = paths.EnsembleHopMover(ensemble=ensA, target_ensemble=ensB)
hopBA = paths.EnsembleHopMover(ensemble=ensB, target_ensemble=ensA)
self.scheme.movers['hop'] = [hopAB]
self.scheme.append(strategies.OrganizeByMoveGroupStrategy())
root = self.scheme.move_decision_tree()
self.scheme.build_balance_partners()
def __init__(self,
network,
delta_max,
k_spring,
initial_guess=None,
ensembles=None,
engine=None):
self.delta_max = delta_max
self.k_spring = k_spring
self.initial_guess = initial_guess
super(SpringShootingMoveScheme, self).__init__(network)
self.append(
SpringShootingStrategy(ensembles=ensembles,
delta_max=delta_max,
k_spring=k_spring,
initial_guess=initial_guess,
engine=engine))
self.append(move_strategy.OrganizeByMoveGroupStrategy())
