def __init__(self, settings, backend=CPU): t_half = settings.z_half / settings.w_avg dt_output = (2 * t_half) / settings.n_output self.n_substeps = 1 while dt_output / self.n_substeps >= settings.dt_max: # TODO #334 dt_max self.n_substeps += 1 builder = Builder(backend=backend(formulae=settings.formulae), n_sd=1) 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, )) builder.add_dynamic(AmbientThermodynamics()) builder.add_dynamic( Condensation( rtol_x=settings.rtol_x, rtol_thd=settings.rtol_thd, dt_cond_range=settings.dt_cond_range, )) attributes = {} r_dry = np.array([settings.r_dry]) attributes["dry volume"] = settings.formulae.trivia.volume( radius=r_dry) attributes["kappa times dry volume"] = attributes[ "dry volume"] * settings.kappa attributes["n"] = np.array([settings.n_in_dv], dtype=np.int64) environment = builder.particulator.environment r_wet = equilibrate_wet_radii( r_dry=r_dry, environment=environment, kappa_times_dry_volume=attributes["kappa times dry volume"], ) attributes["volume"] = settings.formulae.trivia.volume(radius=r_wet) products = [ PySDM_products.MeanRadius(name="radius_m1", unit="um"), PySDM_products.CondensationTimestepMin(name="dt_cond_min"), PySDM_products.ParcelDisplacement(name="z"), PySDM_products.AmbientRelativeHumidity(name="RH", unit="%"), PySDM_products.Time(name="t"), PySDM_products.ActivatingRate(unit="s^-1 mg^-1", name="activating_rate"), PySDM_products.DeactivatingRate(unit="s^-1 mg^-1", name="deactivating_rate"), PySDM_products.RipeningRate(unit="s^-1 mg^-1", name="ripening_rate"), PySDM_products.PeakSupersaturation(unit="%", name="S_max"), ] self.particulator = builder.build(attributes, products) self.n_output = settings.n_output
def __init__(self, settings, backend=CPU): t_half = settings.z_half / settings.w_avg dt_output = (2 * t_half) / settings.n_output self.n_substeps = 1 while dt_output / self.n_substeps >= settings.dt_max: # TODO #334 dt_max self.n_substeps += 1 builder = Builder(backend=backend, n_sd=1, formulae=settings.formulae) 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 )) builder.add_dynamic(AmbientThermodynamics()) builder.add_dynamic(Condensation( kappa=settings.kappa, rtol_x=settings.rtol_x, rtol_thd=settings.rtol_thd, dt_cond_range=settings.dt_cond_range )) attributes = {} r_dry = np.array([settings.r_dry]) attributes['dry volume'] = settings.formulae.trivia.volume(radius=r_dry) attributes['n'] = np.array([settings.n_in_dv], dtype=np.int64) environment = builder.core.environment r_wet = r_wet_init(r_dry, environment, kappa=settings.kappa) attributes['volume'] = settings.formulae.trivia.volume(radius=r_wet) products = [ PySDM_products.ParticleMeanRadius(), PySDM_products.CondensationTimestepMin(), PySDM_products.ParcelDisplacement(), PySDM_products.RelativeHumidity(), PySDM_products.Time(), PySDM_products.ActivatingRate(), PySDM_products.DeactivatingRate(), PySDM_products.RipeningRate(), PySDM_products.PeakSupersaturation() ] self.core = builder.build(attributes, products) self.n_output = settings.n_output
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 __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 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, )