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)