water = SLD(0.0, "acmw")
structures.append(air(0, 0) | lipids[i] | water(0, 3.3))
for i in range(len(cont)):
lipids[i].vol[0].setp(vary=False)
lipids[i].vol[1].setp(vary=True, bounds=(V_t * 0.8, V_t * 1.2))
lipids[i].d[0].setp(vary=True, bounds=(5, 12))
max_d_t = 1.54 + 1.265 * t_length
lipids[i].d[1].setp(vary=True, bounds=(min_d_t, max_d_t))
lipids[i].vol[1].constraint = lipids[i].d[1] * float(apm)
structures[i][-1].rough.setp(vary=True, bounds=(3.3, 6))
lipids = rh.set_constraints(
lipids,
structures,
hold_tails=True,
hold_rough=True,
hold_phih=True,
)
models = []
t = len(cont)
for i in range(t):
models.append(ReflectModel(structures[i]))
models[i].scale.setp(vary=True, bounds=(0.005, 10))
models[i].bkg.setp(datasets[i].y[-1], vary=True, bounds=(1e-4, 1e-10))
objectives = []
t = len(cont)
for i in range(t):
structures = []
for i in range(sp.size):
structures.append(air(0, 0) | lipids[i] | des(0, 3.3))
t = sp.size
for i in range(t):
lipids[i].vol[0].setp(vary=True, bounds=(V_h * 0.8, V_h * 1.2))
lipids[i].vol[1].setp(vary=True, bounds=(V_t * 0.8, V_t * 1.2))
lipids[i].d[0].setp(vary=True, bounds=(7, 20))
max_d_t = 1.54 + 1.265 * t_length
lipids[i].d[1].setp(vary=True, bounds=(min_d_t, max_d_t))
structures[i][-1].rough.setp(vary=True, bounds=(2.5, 6))
lipids = rh.set_constraints(lipids,
structures,
hold_tails=False,
hold_rough=False)
models = []
t = sp.size
for i in range(t):
models.append(ReflectModel(structures[i]))
models[i].scale.setp(vary=True, bounds=(0.005, 10))
models[i].bkg.setp(datasets[i].y[-1], vary=False)
objectives = []
t = sp.size
for i in range(t):
objectives.append(
Objective(models[i], datasets[i], transform=Transform("YX4")))