def test_equality_constraint(model): """Test equality constraint.""" model.reactions.ACALD.bounds = (-1.5, -1.5) s = sample(model, 10) assert np.allclose(s.ACALD, -1.5, atol=1e-6, rtol=0) s = sample(model, 10, method="achr") assert np.allclose(s.ACALD, -1.5, atol=1e-6, rtol=0)
def test_inequality_constraint(model): """Test inequality constraint.""" co = model.problem.Constraint( model.reactions.ACALD.flux_expression, lb=-0.5) model.add_cons_vars(co) s = sample(model, 10) assert all(s.ACALD > -0.5 - 1e-6) s = sample(model, 10, method="achr") assert all(s.ACALD > -0.5 - 1e-6)
def test_single_point_space(model): """Test the reduction of the sampling space to one point.""" pfba_sol = pfba(model) pfba_const = model.problem.Constraint( sum(model.variables), ub=pfba_sol.objective_value) model.add_cons_vars(pfba_const) model.reactions.Biomass_Ecoli_core.lower_bound = \ pfba_sol.fluxes.Biomass_Ecoli_core with pytest.raises(ValueError): s = sample(model, 1)
def test_inhomogeneous_sanity(model): """Test whether inhomogeneous sampling gives approximately the same standard deviation as a homogeneous version.""" model.reactions.ACALD.bounds = (-1.5, -1.5) s_inhom = sample(model, 64) model.reactions.ACALD.bounds = (-1.5 - 1e-3, -1.5 + 1e-3) s_hom = sample(model, 64) relative_diff = (s_inhom.std() + 1e-12) / (s_hom.std() + 1e-12) assert 0.5 < relative_diff.abs().mean() < 2 model.reactions.ACALD.bounds = (-1.5, -1.5) s_inhom = sample(model, 64, method="achr") model.reactions.ACALD.bounds = (-1.5 - 1e-3, -1.5 + 1e-3) s_hom = sample(model, 64, method="achr") relative_diff = (s_inhom.std() + 1e-12) / (s_hom.std() + 1e-12) assert 0.5 < relative_diff.abs().mean() < 2
def test_fixed_seed(model): """Test result of fixed seed for sampling.""" s1 = sample(model, 1, seed=42) s2 = sample(model, 1, seed=42) assert np.isclose(s1.TPI[0], s2.TPI[0])
def test_wrong_method(model): """Test method intake sanity.""" with pytest.raises(ValueError): sample(model, 1, method="schwupdiwupp")
def test_multi_optgp(model): """Test OptGP sampling (multi sample).""" s = sample(model, 10, processes=2) assert s.shape == (10, len(model.reactions))
def test_single_optgp(model): """Test OptGP sampling (one sample).""" s = sample(model, 10, processes=1) assert s.shape == (10, len(model.reactions))
def test_single_achr(model): """Test ACHR sampling (one sample).""" s = sample(model, 10, method="achr") assert s.shape == (10, len(model.reactions))
def test_fixed_seed(model): """Test result of fixed seed for sampling.""" s = sample(model, 1, seed=42) assert np.allclose(s.TPI[0], 9.12037487)