def test_should_always_accept_favorable_move(self):
current_energy = 0.
trial_energy = -1.
bias = 0.
result = mc.metropolis(current_energy, trial_energy, bias)
self.assertEqual(result, True)
def test_should_always_accept_favorable_move(self):
current_energy = 0.
trial_energy = -1.
bias = 0.
result = mc.metropolis(current_energy, trial_energy, bias)
self.assertEqual(result, True)
def test_should_not_accept_unfavorable_move_with_random_greater_than_metropolis_weight(self):
current_energy = 0.
trial_energy = 1.
bias = 0.
with mock.patch('meld.system.montecarlo.random.random') as mock_random:
mock_random.return_value = 0.37 # slightly more than exp(-1)
result = mc.metropolis(current_energy, trial_energy, bias)
self.assertEqual(result, False)
def test_should_not_accept_unfavorable_move_with_random_greater_than_metropolis_weight(
self):
current_energy = 0.
trial_energy = 1.
bias = 0.
with mock.patch("meld.system.montecarlo.random.random") as mock_random:
mock_random.return_value = 0.37 # slightly more than exp(-1)
result = mc.metropolis(current_energy, trial_energy, bias)
self.assertEqual(result, False)
def test_should_accept_unfavorable_move_with_random_less_than_metropolis_weight(
self):
current_energy = 0.
trial_energy = 1.
bias = 0.
with mock.patch('meld.system.montecarlo.random.random') as mock_random:
mock_random.return_value = 0.35 # slightly less than exp(-1)
result = mc.metropolis(current_energy, trial_energy, bias)
self.assertEqual(result, True)
def test_should_accept_unfavorable_move_with_random_less_than_metropolis_weight(
self
):
current_energy = 0.
trial_energy = 1.
bias = 0.
with mock.patch("meld.system.montecarlo.random.random") as mock_random:
mock_random.return_value = 0.35 # slightly less than exp(-1)
result = mc.metropolis(current_energy, trial_energy, bias)
self.assertEqual(result, True)