old_contents: from msibi.optimize import MSIBI
  from msibi.tests.test_pair import init_state
  
  n_bins = 151
  
  
  def test_msibi_init_single_cutoff():
      opt = MSIBI(2.5, n_bins)
      assert opt.pot_cutoff == opt.rdf_cutoff
      assert opt.n_rdf_points == n_bins
      assert opt.rdf_n_bins == n_bins + 1
      assert opt.r_switch == 14.6/6.0
      assert opt.dr == 0.1/6.0
      assert opt.smooth_rdfs is False
      assert opt.rdf_r_range.shape[0] == 2
      assert opt.pot_r.shape[0] == n_bins
  
  
  def test_msibi_init_multiple_cutoff():
      opt = MSIBI(2.5, n_bins, pot_cutoff=2.0)
      assert opt.pot_cutoff != opt.rdf_cutoff
      assert opt.n_rdf_points == n_bins
      assert opt.rdf_n_bins == n_bins + 1
      assert opt.r_switch == 11.6/6.0
      assert opt.dr == 0.1/6.0
      assert opt.smooth_rdfs is False
      assert opt.rdf_r_range.shape[0] == 2
      assert opt.pot_r.shape[0] != n_bins
      assert opt.pot_r.shape[0] == 121
  
  
  def test_msibi_optimize_states():
      pair, state0, rdf = init_state(0)
      opt = MSIBI(2.5, n_bins, pot_cutoff=2.5)
      opt.optimize([state0], [pair], n_iterations=0, engine='hoomd')
  
new_contents: import pytest
  
  from msibi.optimize import MSIBI
  from msibi.tests.test_pair import init_state
  
  n_bins = 151
  
  
  def test_msibi_init_single_cutoff():
      opt = MSIBI(2.5, n_bins)
      assert opt.pot_cutoff == opt.rdf_cutoff
      assert opt.n_rdf_points == n_bins
      assert opt.rdf_n_bins == n_bins + 1
      assert opt.r_switch == 14.6/6.0
      assert opt.dr == 0.1/6.0
      assert opt.smooth_rdfs is False
      assert opt.rdf_r_range.shape[0] == 2
      assert opt.pot_r.shape[0] == n_bins
  
  
  def test_msibi_init_multiple_cutoff():
      opt = MSIBI(2.5, n_bins, pot_cutoff=2.0)
      assert opt.pot_cutoff != opt.rdf_cutoff
      assert opt.n_rdf_points == n_bins
      assert opt.rdf_n_bins == n_bins + 1
      assert opt.r_switch == 11.6/6.0
      assert opt.dr == 0.1/6.0
      assert opt.smooth_rdfs is False
      assert opt.rdf_r_range.shape[0] == 2
      assert opt.pot_r.shape[0] != n_bins
      assert opt.pot_r.shape[0] == 121
  
  
  def test_msibi_optimize_states():
      pair, state0, rdf = init_state(0)
      opt = MSIBI(2.5, n_bins, pot_cutoff=2.5)
      opt.optimize([state0], [pair], n_iterations=0, engine='hoomd')
  
  
  def test_rdf_length():
      pair, state0, rdf = init_state(0)
      opt = MSIBI(2.5, n_bins + 1, pot_cutoff=2.5)
      with pytest.raises(ValueError):
          opt.optimize([state0], [pair], n_iterations=0, engine='hoomd')
  
subject: Add unit test