Exemple #1
0
    def test_first_hop_fails(self):
        crossing_traj = make_1d_traj([-0.11, 0.11, 0.31, 1.01], [1.0]*4)
        crossing_samp = Sample(replica=0, trajectory=crossing_traj,
                               ensemble=self.innermost)
        gs = SampleSet([crossing_samp])
        gs.sanity_check()

        change = self.mover.move(gs)
        assert_equal(change.accepted, False)
        assert_equal(len(change.results), 0)
        sub_trials = change.subchange.subchange.subchange.trials
        assert_equal(len(sub_trials), 1)
        assert_equal(sub_trials[0].trajectory, crossing_traj)
        assert_equal(sub_trials[0].ensemble, self.minus._segment_ensemble)