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())