Python SpringShootingSelector.pick Examples

Example #1

File: test_spring_shooting.py Project: pk-organics/openpathsampling

 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

Example #2

File: test_spring_shooting.py Project: pk-organics/openpathsampling

 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')

Example #3

File: test_spring_shooting.py Project: pk-organics/openpathsampling

 def test_pick_direction(self):
     sel = SpringShootingSelector(delta_max=1, k_spring=1)
     with pytest.raises(RuntimeError):
         sel.pick(trajectory=self.mytraj)

Example #4

File: test_spring_shooting.py Project: pk-organics/openpathsampling

 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')