def cache_diffusivity(geoname="alphahem", mode="coupled", **params):
name = "D%s-%s" % (geoname, mode)
if not fields.exists(name, **params):
setup = nanopore.Setup(**params)
r = setup.geop.rMolecule
if mode == "coupled":
data_z = diff_profile_z_ahem(**params)
data_r = diff_profile_plane(r)
elif mode == "simple":
data_z = None
data_r = diff_profile_plane(r)
elif mode == "profile":
data_z = diff_profile_z_ahem(**params)
data_r = diff_profile_trivial(r)
else:
raise NotImplementedError
functions = diffusivity_field(setup,
r,
ddata_z=data_z,
ddata_r=data_r,
boundary="poresolidb",
poreregion="pore")
fields.save_functions(name, params, **functions)
fields.update()
return name
def cache_diffusivity_simple(geoname="alphahem", **params):
name = "D%s" % (geoname, )
if not fields.exists(name, **params):
setup = nanopore.Setup(**params)
r = setup.geop.rMolecule
functions = diffusivity_field(setup, r, boundary="poresolidb")
fields.save_functions(name, params, **functions)
fields.update()
def diffusivity_simple(**params):
from nanopores.models.diffusion_interpolation import diffusivity_field
name = "diffusivity_simple"
if not fields.exists(name, **params):
setup = Setup(**params)
dic = diffusivity_field(setup,
r=params["rMolecule"],
boundary="poresolidb")
fields.save_functions(name, setup.active_params, **dic)
fields.update()
D, = fields.get_functions(name, "D", **params)
return D
name = "wei_force_ps"
if not fields.exists(name, **params):
setup = nanopore.Setup(**params)
_, pnps = nanopore.solve(setup, True)
v, cp, cm, u, p = pnps.solutions()
F, Fel, Fdrag = setup.phys.ForceField(v, u, "fluid")
fields.save_functions(name, params, F=F, Fel=Fel, Fdrag=Fdrag)
fields.update()
name_D = "wei_D_2D"
if not fields.exists(name_D, **params):
setup = nanopore.Setup(**params)
dic = diffusivity_field(setup,
r=params["rMolecule"],
boundary="poresolidb")
fields.save_functions(name_D, params, **dic)
fields.update()
F, Fel, Fdrag = fields.get_functions(name, "F", "Fel", "Fdrag", **params)
D, dist = fields.get_functions(name_D, "D", "dist", **params)
if __name__ == "__main__":
Fplot = nano.user_param(Fplot=False)
Dplot = nano.user_param(Dplot=False)
if Fplot:
plt = nanopore.Plotter(dim=2)
plt.plot_vector(F, title="F", interactive=True)
#plt.plot_vector(Fel, title="Fel")
def simple_D(setup):
r = setup.geop.rMolecule
functions = diffusivity_field(setup, r, boundary="poresolidb")
return functions["D"]