def test_4conf_irrev_formula_k1_k2_k3_same():
"""Doesn't test all possibilities."""
params_dict = {'c1_scaling': 8,
'c2_scaling': 2,
'c3_scaling': 4,
'c0_to_c1_k': 0.05,
'c1_to_c2_k': 0.05,
'c2_to_c3_k': 0.001
}
bd = Builder(params_dict=params_dict)
bd.build_model_multiconf(4, 1., reversible=False, normalized_data=True)
t = np.linspace(0, 4000, 100)
bd.obs_func(t)
def test_2conf_irrev_formula():
params_dict = {'c1_scaling': 5}
bd = Builder(params_dict=params_dict)
bd.build_model_multiconf(2, 1., reversible=False, normalized_data=True)
t = np.linspace(0, 4000, 100)
sol = Solver(bd.model, t)
sol.run()
nbd_sol = sol.yexpr['NBD']
nbd_func = bd.obs_func(t)
ok_(np.allclose(nbd_sol, nbd_func),
'Integrated NBD does not match closed form NBD for 2conf model')
def test_3conf_irrev_formula_k1_k2_different():
params_dict = {'c1_scaling': 8,
'c2_scaling': 2,
'c0_to_c1_k': 0.05,
'c1_to_c2_k': 0.005
}
bd = Builder(params_dict=params_dict)
bd.build_model_multiconf(3, 1., reversible=False, normalized_data=True)
t = np.linspace(0, 4000, 100)
sol = Solver(bd.model, t)
sol.run()
nbd_sol = sol.yexpr['NBD']
nbd_func = bd.obs_func(t)
ok_(np.allclose(nbd_sol, nbd_func),
'Integrated NBD does not match closed form NBD for 3conf model')
def test_5conf_irrev_formula_k1_k2_k3_k4_different():
params_dict = {'c1_scaling': 8,
'c2_scaling': 2,
'c3_scaling': 6,
'c4_scaling': 1.5,
'c0_to_c1_k': 0.05,
'c1_to_c2_k': 0.005,
'c2_to_c3_k': 0.001,
'c3_to_c4_k': 0.002,
}
bd = Builder(params_dict=params_dict)
bd.build_model_multiconf(5, 1., reversible=False, normalized_data=True)
t = np.linspace(0, 4000, 100)
sol = Solver(bd.model, t)
sol.run()
nbd_sol = sol.yexpr['NBD']
nbd_func = bd.obs_func(t)
plt.ion()
plt.figure()
plt.plot(t, nbd_sol)
plt.plot(t, nbd_func)
ok_(np.allclose(nbd_sol, nbd_func),
'Integrated NBD does not match closed form NBD for 5conf model')
