def test_adjust_displacement_fit():
"""
Test the accept_or_reject function when the movement is suitable, will pass the max_displacement is kept.
"""
n_trials = 100.0
n_accept = 40.0
max_displacement = 1.0
expected_value = 1.0
cal_max_displacement, n_trials, n_accept = mc_lj_potential.adjust_displacement(n_trials = n_trials, n_accept = n_accept, max_displacement = max_displacement)
assert expected_value == cal_max_displacement
def test_adjust_displacement_small():
"""
Test the accept_or_reject function when the movement is too small, will pass the max_displacement is increased.
"""
n_trials = 100.0
n_accept = 43.0
max_displacement = 1.0
expected_value = 1.2
cal_max_displacement, n_trials, n_accept = mc_lj_potential.adjust_displacement(n_trials = n_trials, n_accept = n_accept, max_displacement = max_displacement)
assert expected_value == cal_max_displacement
def test_adjust_displacement_large():
"""
Test the accept_or_reject function when the movement is too large that the max_displacement should be changed into a smaller value.
"""
n_trials = 100.0
n_accept = 37.0
max_displacement = 1.0
expected_vaule = 0.8
cal_max_displacement, n_trials, n_accept = mc_lj_potential.adjust_displacement(n_trials = n_trials, n_accept = n_accept, max_displacement = max_displacement)
assert expected_vaule == cal_max_displacement