def test_impossible_pick(self):
sel = SpringShootingSelector(delta_max=1, k_spring=1, initial_guess=12)
sel.pick(trajectory=self.mytraj, direction='forward')
assert sel._acceptable_snapshot is False
def test_sanity_breaking_total_pick(self):
sel = SpringShootingSelector(delta_max=1, k_spring=1)
sel._total_bias = sum([0, 0, 0])
with pytest.raises(RuntimeError):
sel.pick(trajectory=self.mytraj, direction='forward')
def test_pick_direction(self):
sel = SpringShootingSelector(delta_max=1, k_spring=1)
with pytest.raises(RuntimeError):
sel.pick(trajectory=self.mytraj)
def test_sanity_breaking_bw_pick(self):
sel = SpringShootingSelector(delta_max=1, k_spring=1)
sel._bw_prob_list = [0, 0, 0]
with pytest.raises(RuntimeError):
sel.pick(trajectory=self.mytraj, direction='forward')