def test_ambient_relative_humidity(backend_class):
# arrange
n_sd = 1
builder = Builder(n_sd, backend=backend_class())
env = Parcel(dt=np.nan,
mixed_phase=True,
mass_of_dry_air=np.nan,
p0=1000 * si.hPa,
q0=1 * si.g / si.kg,
T0=260 * si.K,
w=np.nan)
builder.set_environment(env)
attributes = {'n': np.ones(n_sd), 'volume': np.ones(n_sd)}
particulator = builder.build(
attributes=attributes,
products=(
products.AmbientRelativeHumidity(name='RHw', var='RH'),
products.AmbientRelativeHumidity(name='RHi', var='RH', ice=True),
))
# act
values = {}
for name, product in particulator.products.items():
values[name] = product.get()[0]
# assert
assert values['RHw'] < values['RHi']
def __init__(self,
backend,
n_sd=-1,
max_iters=-1,
multiplicity=-1,
dt=np.nan,
dv=np.nan,
rhod=np.nan,
thd=np.nan,
qv=np.nan,
T=np.nan,
p=np.nan,
RH=np.nan,
dry_volume=np.nan,
wet_radius=np.nan):
builder = Builder(n_sd=n_sd, backend=backend())
builder.set_environment(
_TestEnv(dt=dt, dv=dv, rhod=rhod, thd=thd, qv=qv, T=T, p=p, RH=RH))
builder.add_dynamic(Condensation(max_iters=max_iters))
self.particulator = builder.build(
attributes={
'n': np.full(n_sd, multiplicity),
'volume': np.full(n_sd, wet_radius),
'dry volume': np.full(n_sd, dry_volume),
'kappa times dry volume': np.ones(n_sd),
})
def test_critical_supersaturation():
# arrange
T = 300 * si.K
n_sd = 100
S_max = .01
vdry = np.linspace(.001, 1, n_sd) * si.um**3
builder = Builder(n_sd=n_sd, backend=CPU())
env = Box(dt=np.nan, dv=np.nan)
builder.set_environment(env)
env['T'] = T
particulator = builder.build(attributes={
'n':
np.ones(n_sd),
'volume':
np.linspace(.01, 10, n_sd) * si.um**3,
'dry volume':
vdry,
'kappa times dry volume':
.9 * vdry,
'dry volume organic':
np.zeros(n_sd)
},
products=[ActivableFraction()])
# act
AF = particulator.products['activable fraction'].get(S_max)
# assert
assert 0 < AF < 1
def test_single_collision_bounce(params, backend_class = CPU):
# Arrange
n_sd = 2
builder = Builder(n_sd, backend_class())
builder.set_environment(Box(dv=np.NaN, dt=np.NaN))
n_init = [1, 1]
particulator = builder.build(attributes = {
"n": np.asarray(n_init),
"volume": np.asarray([100*si.um**3, 100*si.um**3])
}, products = ())
pairwise_zeros = particulator.PairwiseStorage.from_ndarray(np.array([0.0]))
general_zeros = particulator.Storage.from_ndarray(np.array([0.0]))
gamma = particulator.PairwiseStorage.from_ndarray(np.array([params["gamma"]]))
rand = particulator.PairwiseStorage.from_ndarray(np.array([params["rand"]]))
n_fragment = particulator.PairwiseStorage.from_ndarray(np.array([4]))
is_first_in_pair = make_PairIndicator(backend_class)(n_sd)
# Act
particulator.collision_coalescence_breakup(
enable_breakup=True,
gamma=gamma, rand=rand, Ec=pairwise_zeros, Eb=pairwise_zeros,
n_fragment=n_fragment, coalescence_rate=general_zeros,
breakup_rate=general_zeros, is_first_in_pair=is_first_in_pair
)
# Assert
assert (particulator.attributes['n'].to_ndarray() == n_init).all()
def test_multiplicity_overflow(backend = CPU()):
# Arrange
params = {"gamma": [100.0], "n_init": [1, 1], "v_init": [1, 1],
"is_first_in_pair": [True, False], "n_fragment": [4]}
n_init = params["n_init"]
n_sd = len(n_init)
builder = Builder(n_sd, backend)
builder.set_environment(Box(dv=np.NaN, dt=np.NaN))
particulator = builder.build(attributes = {
"n": np.asarray(n_init),
"volume": np.asarray(params["v_init"])
}, products=())
n_pairs = n_sd // 2
rand = [1.0] * n_pairs
Eb = [1.0] * n_pairs
pairwise_zeros = particulator.PairwiseStorage.from_ndarray(np.array([0.0] * n_pairs))
general_zeros = particulator.Storage.from_ndarray(np.array([0.0] * n_sd))
gamma = particulator.PairwiseStorage.from_ndarray(np.array(params["gamma"]))
rand = particulator.PairwiseStorage.from_ndarray(np.array(rand))
Eb = particulator.PairwiseStorage.from_ndarray(np.array(Eb))
breakup_rate = particulator.Storage.from_ndarray(np.array([0.0]))
n_fragment = particulator.PairwiseStorage.from_ndarray(np.array(params["n_fragment"]))
is_first_in_pair = particulator.PairIndicator(n_sd)
is_first_in_pair.indicator[:] = particulator.Storage.from_ndarray(
np.asarray(params["is_first_in_pair"]))
# Act
particulator.collision_coalescence_breakup(
enable_breakup=True,
gamma=gamma, rand=rand, Ec=pairwise_zeros, Eb=Eb,
n_fragment=n_fragment, coalescence_rate=general_zeros,
breakup_rate=breakup_rate, is_first_in_pair=is_first_in_pair
)
def test_courant_product(courant_field):
# arrange
n_sd = 1
builder = Builder(n_sd=n_sd, backend=CPU())
builder.set_environment(Kinematic2D(
dt=1,
grid=GRID,
size=(100, 100),
rhod_of=lambda x: x*0+1
))
builder.add_dynamic(Displacement())
particulator = builder.build(
attributes={
'n': np.ones(n_sd),
'volume': np.ones(n_sd),
'cell id': np.zeros(n_sd, dtype=int)
},
products=(MaxCourantNumber(),)
)
sut = particulator.products['max courant number']
# act
particulator.dynamics['Displacement'].upload_courant_field(courant_field)
max_courant = sut.get()
# assert
np.testing.assert_allclose(actual=max_courant, desired=np.maximum(
np.maximum(abs(courant_field[0][1:, :]), abs(courant_field[0][:-1, :])),
np.maximum(abs(courant_field[1][:, 1:]), abs(courant_field[1][:, :-1]))
))
def test_freeze_time_dependent(plot=False):
# Arrange
cases = (
{'dt': 5e5, 'N': 1},
{'dt': 1e6, 'N': 1},
{'dt': 5e5, 'N': 8},
{'dt': 1e6, 'N': 8},
{'dt': 5e5, 'N': 32},
{'dt': 1e6, 'N': 32},
)
rate = 1e-9
immersed_surface_area = 1
constant.J_het = rate / immersed_surface_area
number_of_real_droplets = 1024
total_time = 2e9 # effectively interpretted here as seconds, i.e. cycle = 1 * si.s
# dummy (but must-be-set) values
vol = 44 # just to enable sign flipping (ice water uses negative volumes), actual value does not matter
dv = 666 # products use concentration, just dividing there and multiplying back here, actual value does not matter
hgh = lambda t: np.exp(-0.8 * rate * (t - total_time / 10))
low = lambda t: np.exp(-1.2 * rate * (t + total_time / 10))
# Act
output = {}
for case in cases:
n_sd = int(number_of_real_droplets // case['N'])
assert n_sd == number_of_real_droplets / case['N']
assert total_time // case['dt'] == total_time / case['dt']
key = f"{case['dt']}:{case['N']}"
output[key] = {'unfrozen_fraction': [], 'dt': case['dt'], 'N': case['N']}
formulae = Formulae(heterogeneous_ice_nucleation_rate='Constant')
builder = Builder(n_sd=n_sd, backend=CPU(formulae=formulae))
env = Box(dt=case['dt'], dv=dv)
builder.set_environment(env)
builder.add_dynamic(Freezing(singular=False))
attributes = {
'n': np.full(n_sd, int(case['N'])),
'immersed surface area': np.full(n_sd, immersed_surface_area),
'volume': np.full(n_sd, vol)
}
products = (IceWaterContent(specific=False),)
particulator = builder.build(attributes=attributes, products=products)
env['a_w_ice'] = np.nan
cell_id = 0
for i in range(int(total_time / case['dt']) + 1):
particulator.run(0 if i == 0 else 1)
ice_mass_per_volume = particulator.products['qi'].get()[cell_id]
ice_mass = ice_mass_per_volume * dv
ice_number = ice_mass / (const.rho_w * vol)
unfrozen_fraction = 1 - ice_number / number_of_real_droplets
output[key]['unfrozen_fraction'].append(unfrozen_fraction)
def _make_particulator():
builder = Builder(n_sd=n_sd, backend=CPU())
env = Box(dt=dt, dv=np.nan)
builder.set_environment(env)
env['T'] = T
return builder.build(attributes={
'n': np.ones(n_sd),
'volume': np.linspace(.01, 10, n_sd) * si.um**3
},
products=(CoolingRate(), ))
def make_particulator(
*,
constants,
n_sd,
dt,
initial_temperature,
singular,
seed,
shima_T_fz,
ABIFM_spec,
droplet_volume,
total_particle_number,
volume
):
attributes = {"volume": np.ones(n_sd) * droplet_volume}
formulae_ctor_args = {"seed": seed, "constants": constants}
if singular:
formulae_ctor_args["freezing_temperature_spectrum"] = shima_T_fz
else:
formulae_ctor_args["heterogeneous_ice_nucleation_rate"] = "ABIFM"
formulae = Formulae(**formulae_ctor_args)
if singular:
sampling = SpectroGlacialSampling(
freezing_temperature_spectrum=formulae.freezing_temperature_spectrum,
insoluble_surface_spectrum=ABIFM_spec,
seed=formulae.seed,
)
attributes["freezing temperature"], _, attributes["n"] = sampling.sample(n_sd)
else:
sampling = ConstantMultiplicity(
spectrum=ABIFM_spec,
# seed=formulae.seed
)
attributes["immersed surface area"], attributes["n"] = sampling.sample(n_sd)
attributes["n"] *= total_particle_number
builder = Builder(n_sd, CPU(formulae))
env = Box(dt, volume)
builder.set_environment(env)
env["T"] = initial_temperature
env["RH"] = A_VALUE_LARGER_THAN_ONE
builder.add_dynamic(Freezing(singular=singular))
return builder.build(
attributes=attributes,
products=(
PySDM_products.Time(name="t"),
PySDM_products.AmbientTemperature(name="T"),
PySDM_products.SpecificIceWaterContent(name="qi"),
),
)
def __init__(self, settings, backend=CPU):
dt_output = (settings.total_time / settings.n_steps
) # TODO #334 overwritten in notebook
self.n_substeps = 1 # TODO #334 use condensation substeps
while dt_output / self.n_substeps >= settings.dt_max:
self.n_substeps += 1
self.formulae = Formulae(
condensation_coordinate=settings.coord,
saturation_vapour_pressure="AugustRocheMagnus",
)
self.bins_edges = self.formulae.trivia.volume(settings.r_bins_edges)
builder = Builder(backend=backend(formulae=self.formulae),
n_sd=settings.n_sd)
builder.set_environment(
Parcel(
dt=dt_output / self.n_substeps,
mass_of_dry_air=settings.mass_of_dry_air,
p0=settings.p0,
q0=settings.q0,
T0=settings.T0,
w=settings.w,
z0=settings.z0,
))
environment = builder.particulator.environment
builder.add_dynamic(AmbientThermodynamics())
condensation = Condensation(
adaptive=settings.adaptive,
rtol_x=settings.rtol_x,
rtol_thd=settings.rtol_thd,
dt_cond_range=settings.dt_cond_range,
)
builder.add_dynamic(condensation)
products = [
PySDM_products.ParticleSizeSpectrumPerVolume(
name="Particles Wet Size Spectrum",
radius_bins_edges=settings.r_bins_edges,
),
PySDM_products.CondensationTimestepMin(name="dt_cond_min"),
PySDM_products.CondensationTimestepMax(name="dt_cond_max"),
PySDM_products.RipeningRate(),
]
attributes = environment.init_attributes(n_in_dv=settings.n,
kappa=settings.kappa,
r_dry=settings.r_dry)
self.particulator = builder.build(attributes, products)
self.n_steps = settings.n_steps
def __init__(
self, settings, products=None, scipy_solver=False, rtol_thd=1e-10, rtol_x=1e-10
):
env = Parcel(
dt=settings.timestep,
p0=settings.initial_pressure,
q0=settings.initial_vapour_mixing_ratio,
T0=settings.initial_temperature,
w=settings.vertical_velocity,
mass_of_dry_air=44 * si.kg,
)
n_sd = sum(settings.n_sd_per_mode)
builder = Builder(n_sd=n_sd, backend=CPU(formulae=settings.formulae))
builder.set_environment(env)
builder.add_dynamic(AmbientThermodynamics())
builder.add_dynamic(Condensation(rtol_thd=rtol_thd, rtol_x=rtol_x))
volume = env.mass_of_dry_air / settings.initial_air_density
attributes = {
k: np.empty(0) for k in ("dry volume", "kappa times dry volume", "n")
}
for i, (kappa, spectrum) in enumerate(settings.aerosol_modes_by_kappa.items()):
sampling = ConstantMultiplicity(spectrum)
r_dry, n_per_volume = sampling.sample(settings.n_sd_per_mode[i])
v_dry = settings.formulae.trivia.volume(radius=r_dry)
attributes["n"] = np.append(attributes["n"], n_per_volume * volume)
attributes["dry volume"] = np.append(attributes["dry volume"], v_dry)
attributes["kappa times dry volume"] = np.append(
attributes["kappa times dry volume"], v_dry * kappa
)
r_wet = equilibrate_wet_radii(
r_dry=settings.formulae.trivia.radius(volume=attributes["dry volume"]),
environment=env,
kappa_times_dry_volume=attributes["kappa times dry volume"],
)
attributes["volume"] = settings.formulae.trivia.volume(radius=r_wet)
super().__init__(
particulator=builder.build(attributes=attributes, products=products)
)
if scipy_solver:
bdf.patch_particulator(self.particulator)
self.output_attributes = {
"volume": tuple([] for _ in range(self.particulator.n_sd))
}
self.settings = settings
self.__sanity_checks(attributes, volume)
def test_noninteger_fragments(params, flag, backend_class = CPU):
# Arrange
n_init = params["n_init"]
n_sd = len(n_init)
builder = Builder(n_sd, backend_class())
builder.set_environment(Box(dv=np.NaN, dt=np.NaN))
particulator = builder.build(attributes = {
"n": np.asarray(n_init),
"volume": np.asarray(params["v_init"])
}, products = ())
n_pairs = n_sd // 2
rand = [1.0] * n_pairs
Eb = [1.0] * n_pairs
pairwise_zeros = particulator.PairwiseStorage.from_ndarray(np.array([0.0] * n_pairs))
general_zeros = particulator.Storage.from_ndarray(np.array([0.0] * n_sd))
gamma = particulator.PairwiseStorage.from_ndarray(np.array(params["gamma"]))
rand = particulator.PairwiseStorage.from_ndarray(np.array(rand))
Eb = particulator.PairwiseStorage.from_ndarray(np.array(Eb))
breakup_rate = particulator.Storage.from_ndarray(np.array([0.0]))
n_fragment = particulator.PairwiseStorage.from_ndarray(np.array(params["n_fragment"]))
is_first_in_pair = particulator.PairIndicator(n_sd)
is_first_in_pair.indicator[:] = particulator.Storage.from_ndarray(
np.asarray(params["is_first_in_pair"]))
# Act
particulator.collision_coalescence_breakup(
enable_breakup=True, gamma=gamma, rand=rand, Ec=pairwise_zeros, Eb=Eb,
n_fragment=n_fragment, coalescence_rate=general_zeros, breakup_rate=breakup_rate,
is_first_in_pair=is_first_in_pair
)
# Assert
{
'n': lambda:
np.testing.assert_array_equal(particulator.attributes['n'].to_ndarray(),
np.array(params["n_expected"])),
'v': lambda:
np.testing.assert_array_almost_equal(particulator.attributes['volume'].to_ndarray(),
np.array(params["v_expected"]), decimal=6),
'conserve': lambda:
np.testing.assert_almost_equal(np.sum(particulator.attributes['n'].to_ndarray() *
particulator.attributes['volume'].to_ndarray()),
np.sum(np.array(params["n_init"]) * np.array(params["v_init"])),
decimal=6)
}[flag]()
def test_nonadaptive_same_results_regardless_of_dt(dt, backend_class = CPU):
# Arrange
attributes = {"n": np.asarray([1, 1]), "volume": np.asarray([100*si.um**3, 100*si.um**3])}
breakup = Breakup(ConstantK(1 * si.cm**3 / si.s), AlwaysN(4), adaptive=False)
nsteps = 10
n_sd = len(attributes["n"])
builder = Builder(n_sd, backend_class())
builder.set_environment(Box(dv=1*si.cm**3, dt=dt))
builder.add_dynamic(breakup)
particulator = builder.build(attributes = attributes, products = ())
# Act
particulator.run(nsteps)
# Assert
assert (particulator.attributes['n'].to_ndarray() > 0).all()
assert (particulator.attributes['n'].to_ndarray() != attributes['n']).any()
assert (np.sum(particulator.attributes['n'].to_ndarray()) >= np.sum(attributes['n']))
assert (particulator.attributes['n'].to_ndarray() == np.array([1024, 1024])).all()
def test_breakup_counters(params, backend_class = CPU):
# Arrange
n_init = params["n_init"]
n_sd = len(n_init)
builder = Builder(n_sd, backend_class())
builder.set_environment(Box(dv=np.NaN, dt=np.NaN))
particulator = builder.build(attributes = {
"n": np.asarray(n_init),
"volume": np.asarray([100*si.um**3] * n_sd)
}, products = ())
n_pairs = n_sd // 2
pairwise_zeros = particulator.PairwiseStorage.from_ndarray(np.array([0.0] * n_pairs))
general_zeros = particulator.Storage.from_ndarray(np.array([0.0] * n_sd))
gamma = particulator.PairwiseStorage.from_ndarray(np.array([params["gamma"]] * n_pairs))
rand = particulator.PairwiseStorage.from_ndarray(np.array([params["rand"]] * n_pairs))
Eb = particulator.PairwiseStorage.from_ndarray(np.array([params["Eb"]] * n_pairs))
breakup_rate = particulator.Storage.from_ndarray(np.array([0.0]))
n_fragment = particulator.PairwiseStorage.from_ndarray(np.array([4] * n_pairs))
is_first_in_pair = particulator.PairIndicator(n_sd)
is_first_in_pair.indicator[:] = particulator.Storage.from_ndarray(
np.asarray(params["is_first_in_pair"]))
# Act
particulator.collision_coalescence_breakup(
enable_breakup=True,
gamma=gamma, rand=rand, Ec=pairwise_zeros, Eb=Eb,
n_fragment=n_fragment, coalescence_rate=general_zeros,
breakup_rate=breakup_rate, is_first_in_pair=is_first_in_pair
)
# Assert
cell_id = 0
assert (breakup_rate.to_ndarray()[cell_id] == np.sum(params["gamma"] *
get_smaller_of_pairs(is_first_in_pair, n_init)))
def __init__(self, settings, backend=CPU):
self.nt = settings.nt
builder = Builder(backend=backend,
n_sd=settings.n_sd,
formulae=settings.formulae)
mesh = Mesh(grid=(settings.nz, ), size=(settings.z_max, ))
env = Kinematic1D(dt=settings.dt,
mesh=mesh,
thd_of_z=settings.thd,
rhod_of_z=settings.rhod)
mpdata = MPDATA_1D(
nz=settings.nz,
dt=settings.dt,
mpdata_settings=settings.mpdata_settings,
advector_of_t=lambda t: settings.w(t) * settings.dt / settings.dz,
advectee_of_zZ_at_t0=lambda zZ: settings.qv(zZ * settings.dz),
g_factor_of_zZ=lambda zZ: settings.rhod(zZ * settings.dz))
builder.set_environment(env)
builder.add_dynamic(AmbientThermodynamics())
builder.add_dynamic(
Condensation(adaptive=settings.condensation_adaptive,
rtol_thd=settings.condensation_rtol_thd,
rtol_x=settings.condensation_rtol_x,
kappa=settings.kappa))
builder.add_dynamic(EulerianAdvection(mpdata))
if settings.precip:
builder.add_dynamic(
Coalescence(kernel=Geometric(collection_efficiency=1),
adaptive=settings.coalescence_adaptive))
builder.add_dynamic(
Displacement(enable_sedimentation=True,
courant_field=(np.zeros(settings.nz +
1), ))) # TODO #414
attributes = env.init_attributes(
spatial_discretisation=spatial_sampling.Pseudorandom(),
spectral_discretisation=spectral_sampling.ConstantMultiplicity(
spectrum=settings.wet_radius_spectrum_per_mass_of_dry_air),
kappa=settings.kappa)
products = [
PySDM_products.RelativeHumidity(),
PySDM_products.Pressure(),
PySDM_products.Temperature(),
PySDM_products.WaterVapourMixingRatio(),
PySDM_products.WaterMixingRatio(
name='ql',
description_prefix='cloud',
radius_range=settings.cloud_water_radius_range),
PySDM_products.WaterMixingRatio(
name='qr',
description_prefix='rain',
radius_range=settings.rain_water_radius_range),
PySDM_products.DryAirDensity(),
PySDM_products.DryAirPotentialTemperature(),
PySDM_products.ParticlesDrySizeSpectrum(
v_bins=settings.v_bin_edges),
PySDM_products.ParticlesWetSizeSpectrum(
v_bins=settings.v_bin_edges),
PySDM_products.CloudDropletConcentration(
radius_range=settings.cloud_water_radius_range),
PySDM_products.AerosolConcentration(
radius_threshold=settings.cloud_water_radius_range[0]),
PySDM_products.ParticleMeanRadius(),
PySDM_products.RipeningRate(),
PySDM_products.ActivatingRate(),
PySDM_products.DeactivatingRate(),
PySDM_products.CloudDropletEffectiveRadius(
radius_range=settings.cloud_water_radius_range),
PySDM_products.PeakSupersaturation()
]
self.core = builder.build(attributes=attributes, products=products)
def __init__(self, settings, products=None):
env = Parcel(
dt=settings.dt,
mass_of_dry_air=settings.mass_of_dry_air,
p0=settings.p0,
q0=settings.q0,
T0=settings.T0,
w=settings.w,
)
builder = Builder(n_sd=settings.n_sd,
backend=CPU(formulae=settings.formulae))
builder.set_environment(env)
attributes = env.init_attributes(n_in_dv=settings.n_in_dv,
kappa=settings.kappa,
r_dry=settings.r_dry)
attributes = {
**attributes,
**settings.starting_amounts,
"pH": np.zeros(settings.n_sd),
}
builder.add_dynamic(AmbientThermodynamics())
builder.add_dynamic(Condensation())
builder.add_dynamic(
AqueousChemistry(
environment_mole_fractions=settings.ENVIRONMENT_MOLE_FRACTIONS,
system_type=settings.system_type,
n_substep=settings.n_substep,
dry_rho=settings.DRY_RHO,
dry_molar_mass=settings.dry_molar_mass,
))
products = products or (
PySDM_products.AmbientRelativeHumidity(name="RH", unit="%"),
PySDM_products.WaterMixingRatio(
name="ql", radius_range=[1 * si.um, np.inf], unit="g/kg"),
PySDM_products.ParcelDisplacement(name="z"),
PySDM_products.AmbientPressure(name="p"),
PySDM_products.AmbientTemperature(name="T"),
PySDM_products.AmbientDryAirDensity(name="rhod"),
PySDM_products.AmbientWaterVapourMixingRatio(name="qv",
unit="g/kg"),
PySDM_products.Time(name="t"),
*(PySDM_products.AqueousMoleFraction(
comp, unit="ppb", name=f"aq_{comp}_ppb")
for comp in AQUEOUS_COMPOUNDS),
*(PySDM_products.GaseousMoleFraction(
comp, unit="ppb", name=f"gas_{comp}_ppb")
for comp in GASEOUS_COMPOUNDS),
PySDM_products.Acidity(
name="pH_pH_number_weighted",
radius_range=settings.cloud_radius_range,
weighting="number",
attr="pH",
),
PySDM_products.Acidity(
name="pH_pH_volume_weighted",
radius_range=settings.cloud_radius_range,
weighting="volume",
attr="pH",
),
PySDM_products.Acidity(
name="pH_conc_H_number_weighted",
radius_range=settings.cloud_radius_range,
weighting="number",
attr="conc_H",
),
PySDM_products.Acidity(
name="pH_conc_H_volume_weighted",
radius_range=settings.cloud_radius_range,
weighting="volume",
attr="conc_H",
),
PySDM_products.TotalDryMassMixingRatio(
settings.DRY_RHO, name="q_dry", unit="ug/kg"),
PySDM_products.PeakSupersaturation(unit="%", name="S_max"),
PySDM_products.ParticleSpecificConcentration(
radius_range=settings.cloud_radius_range,
name="n_c_mg",
unit="mg^-1"),
PySDM_products.AqueousMassSpectrum(
key="S_VI",
dry_radius_bins_edges=settings.dry_radius_bins_edges,
name="dm_S_VI/dlog_10(dry diameter)",
unit='ug / m^3"',
),
)
particulator = builder.build(attributes=attributes, products=products)
self.settings = settings
super().__init__(particulator=particulator)
def __init__(self, settings, products=None):
env = Parcel(dt=settings.dt,
mass_of_dry_air=settings.mass_of_dry_air,
p0=settings.p0,
q0=settings.q0,
T0=settings.T0,
w=settings.w,
g=settings.g)
builder = Builder(n_sd=settings.n_sd,
backend=CPU,
formulae=settings.formulae)
builder.set_environment(env)
attributes = env.init_attributes(n_in_dv=settings.n_in_dv,
kappa=settings.kappa,
r_dry=settings.r_dry)
attributes = {
**attributes,
**settings.starting_amounts, 'pH': np.zeros(settings.n_sd)
}
builder.add_dynamic(AmbientThermodynamics())
builder.add_dynamic(Condensation(kappa=settings.kappa))
builder.add_dynamic(
AqueousChemistry(settings.ENVIRONMENT_MOLE_FRACTIONS,
system_type=settings.system_type,
n_substep=settings.n_substep,
dry_rho=settings.DRY_RHO,
dry_molar_mass=settings.dry_molar_mass))
products = products or (
PySDM_products.RelativeHumidity(),
PySDM_products.WaterMixingRatio(name='ql',
description_prefix='liquid',
radius_range=[1 * si.um, np.inf]),
PySDM_products.ParcelDisplacement(), PySDM_products.Pressure(),
PySDM_products.Temperature(), PySDM_products.DryAirDensity(),
PySDM_products.WaterVapourMixingRatio(), PySDM_products.Time(), *[
PySDM_products.AqueousMoleFraction(compound)
for compound in AQUEOUS_COMPOUNDS.keys()
], *[
PySDM_products.GaseousMoleFraction(compound)
for compound in GASEOUS_COMPOUNDS.keys()
],
PySDM_products.pH(radius_range=settings.cloud_radius_range,
weighting='number',
attr='pH'),
PySDM_products.pH(radius_range=settings.cloud_radius_range,
weighting='volume',
attr='pH'),
PySDM_products.pH(radius_range=settings.cloud_radius_range,
weighting='number',
attr='conc_H'),
PySDM_products.pH(radius_range=settings.cloud_radius_range,
weighting='volume',
attr='conc_H'),
PySDM_products.TotalDryMassMixingRatio(
settings.DRY_RHO), PySDM_products.PeakSupersaturation(),
PySDM_products.CloudDropletConcentration(
radius_range=settings.cloud_radius_range),
PySDM_products.AqueousMassSpectrum("S_VI",
settings.dry_radius_bins_edges))
self.core = builder.build(attributes=attributes, products=products)
self.settings = settings
def simulation(
*,
constants,
seed,
n_sd,
time_step,
volume,
spectrum,
droplet_volume,
multiplicity,
total_time,
number_of_real_droplets,
cooling_rate=0,
heterogeneous_ice_nucleation_rate="Constant",
initial_temperature=np.nan,
):
formulae = Formulae(
seed=seed,
heterogeneous_ice_nucleation_rate=heterogeneous_ice_nucleation_rate,
constants=constants,
)
builder = Builder(n_sd=n_sd, backend=CPU(formulae=formulae))
env = Box(dt=time_step, dv=volume)
builder.set_environment(env)
builder.add_dynamic(Freezing(singular=False))
if hasattr(spectrum, "s_geom") and spectrum.s_geom == 1:
_isa, _conc = np.full(n_sd, spectrum.m_mode), np.full(
n_sd, multiplicity / volume)
else:
_isa, _conc = spectral_sampling.ConstantMultiplicity(spectrum).sample(
n_sd)
attributes = {
"n": discretise_multiplicities(_conc * volume),
"immersed surface area": _isa,
"volume": np.full(n_sd, droplet_volume),
}
np.testing.assert_almost_equal(attributes["n"], multiplicity)
products = (
IceWaterContent(name="qi"),
TotalUnfrozenImmersedSurfaceArea(name="A_tot"),
)
particulator = builder.build(attributes=attributes, products=products)
temperature = initial_temperature
env["a_w_ice"] = np.nan
svp = particulator.formulae.saturation_vapour_pressure
cell_id = 0
f_ufz = []
a_tot = []
for i in range(int(total_time / time_step) + 1):
if cooling_rate != 0:
temperature -= cooling_rate * time_step / 2
env["a_w_ice"] = svp.ice_Celsius(
temperature - const.T0) / svp.pvs_Celsius(temperature -
const.T0)
particulator.run(0 if i == 0 else 1)
if cooling_rate != 0:
temperature -= cooling_rate * time_step / 2
ice_mass_per_volume = particulator.products["qi"].get()[cell_id]
ice_mass = ice_mass_per_volume * volume
ice_number = ice_mass / (formulae.constants.rho_w * droplet_volume)
unfrozen_fraction = 1 - ice_number / number_of_real_droplets
f_ufz.append(unfrozen_fraction)
a_tot.append(particulator.products["A_tot"].get()[cell_id])
return f_ufz, a_tot
def __init__(self, settings, backend=CPU):
self.nt = settings.nt
self.z0 = -settings.particle_reservoir_depth
builder = Builder(n_sd=settings.n_sd,
backend=backend(formulae=settings.formulae))
mesh = Mesh(
grid=(settings.nz, ),
size=(settings.z_max + settings.particle_reservoir_depth, ),
)
env = Kinematic1D(
dt=settings.dt,
mesh=mesh,
thd_of_z=settings.thd,
rhod_of_z=settings.rhod,
z0=-settings.particle_reservoir_depth,
)
def zZ_to_z_above_reservoir(zZ):
z_above_reservoir = zZ * (settings.nz * settings.dz) + self.z0
return z_above_reservoir
self.mpdata = MPDATA_1D(
nz=settings.nz,
dt=settings.dt,
mpdata_settings=settings.mpdata_settings,
advector_of_t=lambda t: settings.rho_times_w(t) * settings.dt /
settings.dz,
advectee_of_zZ_at_t0=lambda zZ: settings.qv(
zZ_to_z_above_reservoir(zZ)),
g_factor_of_zZ=lambda zZ: settings.rhod(zZ_to_z_above_reservoir(zZ)
),
)
_extra_nz = settings.particle_reservoir_depth // settings.dz
_z_vec = settings.dz * np.linspace(-_extra_nz, settings.nz - _extra_nz,
settings.nz + 1)
self.g_factor_vec = settings.rhod(_z_vec)
builder.set_environment(env)
builder.add_dynamic(AmbientThermodynamics())
builder.add_dynamic(
Condensation(
adaptive=settings.condensation_adaptive,
rtol_thd=settings.condensation_rtol_thd,
rtol_x=settings.condensation_rtol_x,
))
builder.add_dynamic(EulerianAdvection(self.mpdata))
if settings.precip:
if settings.breakup:
builder.add_dynamic(
Collision(
collision_kernel=Geometric(collection_efficiency=1),
coalescence_efficiency=ConstEc(Ec=0.95),
breakup_efficiency=ConstEb(Eb=1.0),
fragmentation_function=ExponFrag(scale=100 * si.um),
adaptive=settings.coalescence_adaptive,
))
else:
builder.add_dynamic(
Coalescence(
collision_kernel=Geometric(collection_efficiency=1),
adaptive=settings.coalescence_adaptive,
))
displacement = Displacement(
enable_sedimentation=settings.precip,
precipitation_counting_level_index=int(
settings.particle_reservoir_depth / settings.dz),
)
builder.add_dynamic(displacement)
attributes = env.init_attributes(
spatial_discretisation=spatial_sampling.Pseudorandom(),
spectral_discretisation=spectral_sampling.ConstantMultiplicity(
spectrum=settings.wet_radius_spectrum_per_mass_of_dry_air),
kappa=settings.kappa,
)
products = [
PySDM_products.AmbientRelativeHumidity(name="RH", unit="%"),
PySDM_products.AmbientPressure(name="p"),
PySDM_products.AmbientTemperature(name="T"),
PySDM_products.AmbientWaterVapourMixingRatio(name="qv"),
PySDM_products.WaterMixingRatio(
name="ql",
unit="g/kg",
radius_range=settings.cloud_water_radius_range),
PySDM_products.WaterMixingRatio(
name="qr",
unit="g/kg",
radius_range=settings.rain_water_radius_range),
PySDM_products.AmbientDryAirDensity(name="rhod"),
PySDM_products.AmbientDryAirPotentialTemperature(name="thd"),
PySDM_products.ParticleSizeSpectrumPerVolume(
name="dry spectrum",
radius_bins_edges=settings.r_bins_edges,
dry=True),
PySDM_products.ParticleSizeSpectrumPerVolume(
name="wet spectrum", radius_bins_edges=settings.r_bins_edges),
PySDM_products.ParticleConcentration(
name="nc", radius_range=settings.cloud_water_radius_range),
PySDM_products.ParticleConcentration(
name="na",
radius_range=(0, settings.cloud_water_radius_range[0])),
PySDM_products.MeanRadius(),
PySDM_products.RipeningRate(),
PySDM_products.ActivatingRate(),
PySDM_products.DeactivatingRate(),
PySDM_products.EffectiveRadius(
radius_range=settings.cloud_water_radius_range),
PySDM_products.PeakSupersaturation(unit="%"),
PySDM_products.SuperDropletCountPerGridbox(),
]
self.particulator = builder.build(attributes=attributes,
products=products)
def __init__(self, settings, products=None):
env = Parcel(
dt=settings.dt,
mass_of_dry_air=settings.mass_of_dry_air,
p0=settings.p0,
q0=settings.q0,
T0=settings.T0,
w=settings.w,
)
n_sd = settings.n_sd_per_mode * len(settings.aerosol.modes)
builder = Builder(n_sd=n_sd, backend=CPU(formulae=settings.formulae))
builder.set_environment(env)
attributes = {
"dry volume": np.empty(0),
"dry volume organic": np.empty(0),
"kappa times dry volume": np.empty(0),
"n": np.ndarray(0),
}
for mode in settings.aerosol.modes:
r_dry, n_in_dv = settings.spectral_sampling(
spectrum=mode["spectrum"]).sample(settings.n_sd_per_mode)
V = settings.mass_of_dry_air / settings.rho0
N = n_in_dv * V
v_dry = settings.formulae.trivia.volume(radius=r_dry)
attributes["n"] = np.append(attributes["n"], N)
attributes["dry volume"] = np.append(attributes["dry volume"],
v_dry)
attributes["dry volume organic"] = np.append(
attributes["dry volume organic"], mode["f_org"] * v_dry)
attributes["kappa times dry volume"] = np.append(
attributes["kappa times dry volume"],
v_dry * mode["kappa"][settings.model],
)
for attribute in attributes.values():
assert attribute.shape[0] == n_sd
np.testing.assert_approx_equal(
np.sum(attributes["n"]) / V,
Sum(
tuple(
settings.aerosol.modes[i]["spectrum"]
for i in range(len(settings.aerosol.modes)))).norm_factor,
significant=5,
)
r_wet = equilibrate_wet_radii(
r_dry=settings.formulae.trivia.radius(
volume=attributes["dry volume"]),
environment=env,
kappa_times_dry_volume=attributes["kappa times dry volume"],
f_org=attributes["dry volume organic"] / attributes["dry volume"],
)
attributes["volume"] = settings.formulae.trivia.volume(radius=r_wet)
if settings.model == "Constant":
del attributes["dry volume organic"]
builder.add_dynamic(AmbientThermodynamics())
builder.add_dynamic(Condensation())
products = products or (
PySDM_products.ParcelDisplacement(name="z"),
PySDM_products.Time(name="t"),
PySDM_products.PeakSupersaturation(unit="%", name="S_max"),
PySDM_products.AmbientRelativeHumidity(unit="%", name="RH"),
PySDM_products.ParticleConcentration(
name="n_c_cm3",
unit="cm^-3",
radius_range=settings.cloud_radius_range),
PySDM_products.ParticleSizeSpectrumPerVolume(
radius_bins_edges=settings.wet_radius_bins_edges),
PySDM_products.ActivableFraction(),
)
particulator = builder.build(attributes=attributes, products=products)
if settings.BDF:
bdf.patch_particulator(particulator)
self.settings = settings
super().__init__(particulator=particulator)
def run_parcel(
w,
sol2,
N2,
rad2,
n_sd_per_mode,
RH0=1.0,
T0=294 * si.K,
p0=1e5 * si.Pa,
n_steps=50,
mass_of_dry_air=1e3 * si.kg,
dt=2 * si.s,
):
products = (
PySDM_products.WaterMixingRatio(unit="g/kg", name="ql"),
PySDM_products.PeakSupersaturation(name="S max"),
PySDM_products.AmbientRelativeHumidity(name="RH"),
PySDM_products.ParcelDisplacement(name="z"),
)
formulae = Formulae()
const = formulae.constants
pv0 = RH0 * formulae.saturation_vapour_pressure.pvs_Celsius(T0 - const.T0)
q0 = const.eps * pv0 / (p0 - pv0)
env = Parcel(dt=dt,
mass_of_dry_air=mass_of_dry_air,
p0=p0,
q0=q0,
w=w,
T0=T0)
aerosol = AerosolARG(M2_sol=sol2, M2_N=N2, M2_rad=rad2)
n_sd = n_sd_per_mode * len(aerosol.modes)
builder = Builder(backend=CPU(), n_sd=n_sd)
builder.set_environment(env)
builder.add_dynamic(AmbientThermodynamics())
builder.add_dynamic(Condensation())
builder.add_dynamic(Magick())
attributes = {
k: np.empty(0)
for k in ("dry volume", "kappa times dry volume", "n")
}
for i, mode in enumerate(aerosol.modes):
kappa, spectrum = mode["kappa"]["CompressedFilmOvadnevaite"], mode[
"spectrum"]
r_dry, concentration = ConstantMultiplicity(spectrum).sample(
n_sd_per_mode)
v_dry = builder.formulae.trivia.volume(radius=r_dry)
specific_concentration = concentration / builder.formulae.constants.rho_STP
attributes["n"] = np.append(
attributes["n"], specific_concentration * env.mass_of_dry_air)
attributes["dry volume"] = np.append(attributes["dry volume"], v_dry)
attributes["kappa times dry volume"] = np.append(
attributes["kappa times dry volume"], v_dry * kappa)
r_wet = equilibrate_wet_radii(
r_dry=builder.formulae.trivia.radius(volume=attributes["dry volume"]),
environment=env,
kappa_times_dry_volume=attributes["kappa times dry volume"],
)
attributes["volume"] = builder.formulae.trivia.volume(radius=r_wet)
particulator = builder.build(attributes, products=products)
bdf.patch_particulator(particulator)
output = {product.name: [] for product in particulator.products.values()}
output_attributes = {
"n": tuple([] for _ in range(particulator.n_sd)),
"volume": tuple([] for _ in range(particulator.n_sd)),
"critical volume": tuple([] for _ in range(particulator.n_sd)),
"critical supersaturation":
tuple([] for _ in range(particulator.n_sd)),
}
for _ in range(n_steps):
particulator.run(steps=1)
for product in particulator.products.values():
value = product.get()
output[product.name].append(value[0])
for key, attr in output_attributes.items():
attr_data = particulator.attributes[key].to_ndarray()
for drop_id in range(particulator.n_sd):
attr[drop_id].append(attr_data[drop_id])
error = np.zeros(len(aerosol.modes))
activated_fraction_S = np.zeros(len(aerosol.modes))
activated_fraction_V = np.zeros(len(aerosol.modes))
for j, mode in enumerate(aerosol.modes):
activated_drops_j_S = 0
activated_drops_j_V = 0
RHmax = np.nanmax(np.asarray(output["RH"]))
for i, volume in enumerate(output_attributes["volume"]):
if j * n_sd_per_mode <= i < (j + 1) * n_sd_per_mode:
if output_attributes["critical supersaturation"][i][-1] < RHmax:
activated_drops_j_S += output_attributes["n"][i][-1]
if output_attributes["critical volume"][i][-1] < volume[-1]:
activated_drops_j_V += output_attributes["n"][i][-1]
Nj = np.asarray(output_attributes["n"])[j * n_sd_per_mode:(j + 1) *
n_sd_per_mode, -1]
max_multiplicity_j = np.max(Nj)
sum_multiplicity_j = np.sum(Nj)
error[j] = max_multiplicity_j / sum_multiplicity_j
activated_fraction_S[j] = activated_drops_j_S / sum_multiplicity_j
activated_fraction_V[j] = activated_drops_j_V / sum_multiplicity_j
Output = namedtuple(
"Output",
[
"profile",
"attributes",
"aerosol",
"activated_fraction_S",
"activated_fraction_V",
"error",
],
)
return Output(
profile=output,
attributes=output_attributes,
aerosol=aerosol,
activated_fraction_S=activated_fraction_S,
activated_fraction_V=activated_fraction_V,
error=error,
)
