PySDM-examples 2.39__tar.gz → 2.41__tar.gz

{PySDM-examples-2.39 → PySDM-examples-2.41}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: PySDM-examples
-Version: 2.39
+Version: 2.41
 Summary: PySDM usage examples reproducing results from literature and depicting how to use PySDM from Python Jupyter notebooks
 Home-page: https://github.com/open-atmos/PySDM
 Author: https://github.com/open-atmos/PySDM/graphs/contributors

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Abdul_Razzak_Ghan_2000/aerosol.py

@@ -16,6 +16,7 @@ CONSTANTS_ARG = {
 class AerosolARG(DryAerosolMixture):
     def __init__(
         self,
+        water_molar_volume: float,
         M2_sol: float = 0,
         M2_N: float = 100 / si.cm**3,
         M2_rad: float = 50 * si.nm,
@@ -35,13 +36,19 @@ class AerosolARG(DryAerosolMixture):
         )
         self.modes = (
             {
-                "kappa": self.kappa({"(NH4)2SO4": 1.0, "insoluble": 0.0}),
+                "kappa": self.kappa(
+                    mass_fractions={"(NH4)2SO4": 1.0, "insoluble": 0.0},
+                    water_molar_volume=water_molar_volume,
+                ),
                 "spectrum": spectra.Lognormal(
                     norm_factor=100.0 / si.cm**3, m_mode=50.0 * si.nm, s_geom=2.0
                 ),
             },
             {
-                "kappa": self.kappa({"(NH4)2SO4": M2_sol, "insoluble": (1 - M2_sol)}),
+                "kappa": self.kappa(
+                    mass_fractions={"(NH4)2SO4": M2_sol, "insoluble": (1 - M2_sol)},
+                    water_molar_volume=water_molar_volume,
+                ),
                 "spectrum": spectra.Lognormal(
                     norm_factor=M2_N, m_mode=M2_rad, s_geom=2.0
                 ),
@@ -51,7 +58,7 @@ class AerosolARG(DryAerosolMixture):
 
 @strict
 class AerosolWhitby(DryAerosolMixture):
-    def __init__(self):
+    def __init__(self, water_molar_volume: float):
         nuclei = {"(NH4)2SO4": 1.0}
         accum = {"(NH4)2SO4": 1.0}
         coarse = {"(NH4)2SO4": 1.0}
@@ -69,19 +76,25 @@ class AerosolWhitby(DryAerosolMixture):
         )
         self.modes = (
             {
-                "kappa": self.kappa(nuclei),
+                "kappa": self.kappa(
+                    mass_fractions=nuclei, water_molar_volume=water_molar_volume
+                ),
                 "spectrum": spectra.Lognormal(
                     norm_factor=1000.0 / si.cm**3, m_mode=0.008 * si.um, s_geom=1.6
                 ),
             },
             {
-                "kappa": self.kappa(accum),
+                "kappa": self.kappa(
+                    mass_fractions=accum, water_molar_volume=water_molar_volume
+                ),
                 "spectrum": spectra.Lognormal(
                     norm_factor=800 / si.cm**3, m_mode=0.034 * si.um, s_geom=2.1
                 ),
             },
             {
-                "kappa": self.kappa(coarse),
+                "kappa": self.kappa(
+                    mass_fractions=coarse, water_molar_volume=water_molar_volume
+                ),
                 "spectrum": spectra.Lognormal(
                     norm_factor=0.72 / si.cm**3, m_mode=0.46 * si.um, s_geom=2.2
                 ),

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Abdul_Razzak_Ghan_2000/run_ARG_parcel.py

@@ -6,7 +6,6 @@ from PySDM_examples.Abdul_Razzak_Ghan_2000.aerosol import CONSTANTS_ARG, Aerosol
 from PySDM import Builder, Formulae
 from PySDM import products as PySDM_products
 from PySDM.backends import CPU
-from PySDM.backends.impl_numba.test_helpers import scipy_ode_condensation_solver
 from PySDM.dynamics import AmbientThermodynamics, Condensation
 from PySDM.environments import Parcel
 from PySDM.initialisation import equilibrate_wet_radii
@@ -47,10 +46,12 @@ def run_parcel(
         T0=T0,
     )
 
-    aerosol = AerosolARG(M2_sol=sol2, M2_N=N2, M2_rad=rad2)
+    aerosol = AerosolARG(
+        M2_sol=sol2, M2_N=N2, M2_rad=rad2, water_molar_volume=const.Mv / const.rho_w
+    )
     n_sd = n_sd_per_mode * len(aerosol.modes)
 
-    builder = Builder(backend=CPU(), n_sd=n_sd, environment=env)
+    builder = Builder(backend=CPU(formulae), n_sd=n_sd, environment=env)
     builder.add_dynamic(AmbientThermodynamics())
     builder.add_dynamic(Condensation())
     builder.request_attribute("critical supersaturation")
@@ -79,7 +80,6 @@ def run_parcel(
     attributes["volume"] = builder.formulae.trivia.volume(radius=r_wet)
 
     particulator = builder.build(attributes, products=products)
-    scipy_ode_condensation_solver.patch_particulator(particulator)
 
     output = {product.name: [] for product in particulator.products.values()}
     output_attributes = {

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Alpert_and_Knopf_2016/__init__.py

@@ -2,6 +2,7 @@
 box-environment example based on
 [Alpert & Knopf 2016 (Atmos. Chem. Phys. 16)](https://doi.org/10.5194/acp-16-2083-2016)
 """
+
 # pylint: disable=invalid-name
 from .simulation import Simulation, simulation
 from .table_1 import Table1

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Arabas_and_Shima_2017/__init__.py

@@ -2,4 +2,5 @@
 condensation-evaportaion parcel example based on
 [Arabas and Shima 2017 (Nonlin. Processes Geophys. 24)](https://doi.org/10.5194/npg-24-535-2017)
 """
+
 # pylint: disable=invalid-name

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Arabas_et_al_2015/settings.py

@@ -28,10 +28,7 @@ class Settings(StratoCumulus):
     def __init__(
         self,
         formulae=None,
-        rhod_w_max: float = 0.6
-        * si.metres
-        / si.seconds
-        * (si.kilogram / si.metre**3),
+        rhod_w_max: float = 0.6 * si.metres / si.seconds * (si.kilogram / si.metre**3),
     ):
         super().__init__(formulae or Formulae(), rhod_w_max=rhod_w_max)
 

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Arabas_et_al_2023/__init__.py

@@ -2,6 +2,7 @@
 box-model and 2D prescribed-flow immersion-freezing examples based on
 [Arabas et al. 2023](https://arxiv.org/abs/2308.05015)
 """
+
 from .make_particulator import make_particulator
 from .plots import make_freezing_spec_plot, make_pdf_plot, make_temperature_plot
 from .run_simulation import run_simulation

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Arabas_et_al_2023/plots.py

@@ -28,9 +28,11 @@ def make_temperature_plot(data):
         xy2.plot(
             datum["t"],
             np.asarray(datum["qi"]) / qi_unit,  # marker='.',
-            label=f"Monte-Carlo ({labels[v['singular']]})"
-            if not plotted[v["singular"]]
-            else "",
+            label=(
+                f"Monte-Carlo ({labels[v['singular']]})"
+                if not plotted[v["singular"]]
+                else ""
+            ),
             color=colors[v["singular"]],
         )
         plotted[v["singular"]] = True

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Bartman_et_al_2021/label.py

@@ -1,11 +1,11 @@
 def label(settings):
     lbl = str(
         {
-            k.replace("condensation_", ""): f"{v:.1e}"
-            if isinstance(v, float)
-            else str(v).zfill(2)
-            if isinstance(v, int)
-            else v
+            k.replace("condensation_", ""): (
+                f"{v:.1e}"
+                if isinstance(v, float)
+                else str(v).zfill(2) if isinstance(v, int) else v
+            )
             for k, v in settings.items()
         }
     )

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Berry_1967/__init__.py

@@ -2,4 +2,5 @@
 box-model coalescence-only example based on
 [Berry 1967 (J. Atmos. Sci. 24)](https://doi.org/10.1175/1520-0469(1967)024%3C0688:CDGBC%3E2.0.CO;2)
 """
+
 # pylint: disable=invalid-name

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Bieli_et_al_2022/__init__.py

@@ -1,4 +1,5 @@
 """
 collision-only box-model example from [Bieli et al. 2022](https://doi.org/10.1029/2022MS002994)
 """
+
 # pylint: disable=invalid-name

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Bolot_et_al_2013/__init__.py

@@ -2,4 +2,5 @@
 figures from Bolot et al. 2013 (Atmos. Chem. Phys. 13)
 https://doi.org/10.5194/acp-13-7903-2013
 """
+
 # pylint: disable=invalid-name

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Ervens_and_Feingold_2012/__init__.py

@@ -2,4 +2,5 @@
 aerosol distribution from
 [Ervens and Feingold 2012 (Atmos. Chem. Phys. 12)](https://doi.org/10.5194/acp-12-5807-2012)
 """
+
 # pylint: disable=invalid-name

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Ervens_and_Feingold_2012/settings.py

@@ -7,8 +7,6 @@ def sampled_ccn_diameter_number_concentration_spectrum(
     n_sd: int = 11, size_range: tuple = (0.02 * si.um, 2 * si.um)
 ):
     return Logarithmic(
-        spectrum=Lognormal(
-            s_geom=1.4, m_mode=0.04 * si.um, norm_factor=100 / si.cm**3
-        ),
+        spectrum=Lognormal(s_geom=1.4, m_mode=0.04 * si.um, norm_factor=100 / si.cm**3),
         size_range=size_range,
     ).sample(n_sd)

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Kreidenweis_et_al_2003/settings.py

@@ -70,11 +70,13 @@ class Settings:
 
         self.starting_amounts = {
             "moles_"
-            + k: self.formulae.trivia.volume(self.r_dry)
-            * self.DRY_RHO
-            / self.dry_molar_mass
-            if k in ("N_mIII", "S_VI")
-            else np.zeros(self.n_sd)
+            + k: (
+                self.formulae.trivia.volume(self.r_dry)
+                * self.DRY_RHO
+                / self.dry_molar_mass
+                if k in ("N_mIII", "S_VI")
+                else np.zeros(self.n_sd)
+            )
             for k in AQUEOUS_COMPOUNDS
         }
 

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Lowe_et_al_2019/aerosol.py

@@ -8,7 +8,9 @@ from PySDM.physics import si
 
 @strict
 class AerosolMarine(DryAerosolMixture):
-    def __init__(self, Forg: float = 0.2, Acc_N2: float = 134):
+    def __init__(
+        self, water_molar_volume: float, Forg: float = 0.2, Acc_N2: float = 134
+    ):
         Aitken = {
             "palmitic": Forg,
             "(NH4)2SO4": (1 - Forg),
@@ -48,7 +50,7 @@ class AerosolMarine(DryAerosolMixture):
         self.modes = (
             {
                 "f_org": 1 - self.f_soluble_volume(Aitken),
-                "kappa": self.kappa(Aitken),
+                "kappa": self.kappa(Aitken, water_molar_volume=water_molar_volume),
                 "nu_org": self.nu_org(Aitken),
                 "spectrum": spectra.Lognormal(
                     norm_factor=226 / si.cm**3, m_mode=19.6 * si.nm, s_geom=1.71
@@ -56,7 +58,9 @@ class AerosolMarine(DryAerosolMixture):
             },
             {
                 "f_org": 1 - self.f_soluble_volume(Accumulation),
-                "kappa": self.kappa(Accumulation),
+                "kappa": self.kappa(
+                    Accumulation, water_molar_volume=water_molar_volume
+                ),
                 "nu_org": self.nu_org(Accumulation),
                 "spectrum": spectra.Lognormal(
                     norm_factor=Acc_N2 / si.cm**3, m_mode=69.5 * si.nm, s_geom=1.7
@@ -69,7 +73,9 @@ class AerosolMarine(DryAerosolMixture):
 
 @strict
 class AerosolBoreal(DryAerosolMixture):
-    def __init__(self, Forg: float = 0.668, Acc_N2: float = 540):
+    def __init__(
+        self, water_molar_volume: float, Forg: float = 0.668, Acc_N2: float = 540
+    ):
         # note: SOA1 or SOA2 unclear from the paper
         Aitken = {
             "SOA1": Forg,
@@ -116,7 +122,7 @@ class AerosolBoreal(DryAerosolMixture):
         self.modes = (
             {
                 "f_org": 1 - self.f_soluble_volume(Aitken),
-                "kappa": self.kappa(Aitken),
+                "kappa": self.kappa(Aitken, water_molar_volume=water_molar_volume),
                 "nu_org": self.nu_org(Aitken),
                 "spectrum": spectra.Lognormal(
                     norm_factor=1110 / si.cm**3, m_mode=22.7 * si.nm, s_geom=1.75
@@ -124,7 +130,9 @@ class AerosolBoreal(DryAerosolMixture):
             },
             {
                 "f_org": 1 - self.f_soluble_volume(Accumulation),
-                "kappa": self.kappa(Accumulation),
+                "kappa": self.kappa(
+                    Accumulation, water_molar_volume=water_molar_volume
+                ),
                 "nu_org": self.nu_org(Accumulation),
                 "spectrum": spectra.Lognormal(
                     norm_factor=Acc_N2 / si.cm**3,
@@ -139,7 +147,9 @@ class AerosolBoreal(DryAerosolMixture):
 
 @strict
 class AerosolNascent(DryAerosolMixture):
-    def __init__(self, Acc_Forg: float = 0.3, Acc_N2: float = 30):
+    def __init__(
+        self, water_molar_volume: float, Acc_Forg: float = 0.3, Acc_N2: float = 30
+    ):
         Ultrafine = {
             "SOA1": 0.52,
             "SOA2": 0,
@@ -178,7 +188,7 @@ class AerosolNascent(DryAerosolMixture):
         self.modes = (
             {
                 "f_org": 1 - self.f_soluble_volume(Ultrafine),
-                "kappa": self.kappa(Ultrafine),
+                "kappa": self.kappa(Ultrafine, water_molar_volume=water_molar_volume),
                 "nu_org": self.nu_org(Ultrafine),
                 "spectrum": spectra.Lognormal(
                     norm_factor=2000 / si.cm**3, m_mode=11.5 * si.nm, s_geom=1.71
@@ -186,7 +196,9 @@ class AerosolNascent(DryAerosolMixture):
             },
             {
                 "f_org": 1 - self.f_soluble_volume(Accumulation),
-                "kappa": self.kappa(Accumulation),
+                "kappa": self.kappa(
+                    Accumulation, water_molar_volume=water_molar_volume
+                ),
                 "nu_org": self.nu_org(Accumulation),
                 "spectrum": spectra.Lognormal(
                     norm_factor=Acc_N2 / si.cm**3, m_mode=100 * si.nm, s_geom=1.70

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Lowe_et_al_2019/aerosol_code.py

@@ -19,7 +19,9 @@ class AerosolMarine(DryAerosolMixture):
     # NMODE                   = [1 1];
     # DENSITY                 = [1.841, 1.78, 1.77, 0.852, 1.5, 2., 2.65, 2.165]; %[gcm-3]
 
-    def __init__(self, Forg: float = 0.2, Acc_N2: float = 137):
+    def __init__(
+        self, water_molar_volume: float, Forg: float = 0.2, Acc_N2: float = 137
+    ):
         Aitken = {
             "palmitic": Forg,
             "(NH4)2SO4": (1 - Forg),
@@ -59,7 +61,9 @@ class AerosolMarine(DryAerosolMixture):
         self.modes = (
             {
                 "f_org": 1 - self.f_soluble_volume(Aitken),
-                "kappa": self.kappa(Aitken),
+                "kappa": self.kappa(
+                    mass_fractions=Aitken, water_molar_volume=water_molar_volume
+                ),
                 "nu_org": self.nu_org(Aitken),
                 "spectrum": spectra.Lognormal(
                     norm_factor=223 / si.cm**3, m_mode=19.6 * si.nm, s_geom=1.68
@@ -67,7 +71,9 @@ class AerosolMarine(DryAerosolMixture):
             },
             {
                 "f_org": 1 - self.f_soluble_volume(Accumulation),
-                "kappa": self.kappa(Accumulation),
+                "kappa": self.kappa(
+                    mass_fractions=Accumulation, water_molar_volume=water_molar_volume
+                ),
                 "nu_org": self.nu_org(Accumulation),
                 "spectrum": spectra.Lognormal(
                     norm_factor=Acc_N2 / si.cm**3, m_mode=69.5 * si.nm, s_geom=1.68
@@ -100,9 +106,11 @@ class AerosolBoreal(DryAerosolMixture):
     # DENSITY                     = [1.841, 1.78, 1.77, 1.5, 1.5, 2., 2.65, 2.165]; %[gcm-3]
     # DENSITY                     = [1.72, 1.78, 1.77, 1.2, 1.4, 2., 2.65, 2.165]; %[gcm-3]
 
-    def __init__(self, Forg: float = 0.668, Acc_N2: float = 540):
-        # TODO #604: SOA1 or SOA2 unclear from the paper
-        # TODO #604: CAN'T FIND WHERE NH4NO3 PROPERTIES ARE DEFINED IN ICPM
+    def __init__(
+        self, water_molar_volume: float, Forg: float = 0.668, Acc_N2: float = 540
+    ):
+        # TODO #1247: SOA1 or SOA2 unclear from the paper
+        # TODO #1247: CAN'T FIND WHERE NH4NO3 PROPERTIES ARE DEFINED IN ICPM
         INORG_MASS_RATIO = 0.1515 / 0.1559
         Aitken = {
             "SOA1": Forg,
@@ -129,8 +137,8 @@ class AerosolBoreal(DryAerosolMixture):
                 * si.gram
                 / si.mole,
                 "NH4NO3": Substance.from_formula("NH4NO3").mass * si.gram / si.mole,
-                "SOA1": 190 * si.g / si.mole,  # TODO #604: 190 OR 200?
-                "SOA2": 368.4 * si.g / si.mole,  # TODO #604: 368.4 OR 200?
+                "SOA1": 190 * si.g / si.mole,  # TODO #1247: 190 OR 200?
+                "SOA2": 368.4 * si.g / si.mole,  # TODO #1247: 368.4 OR 200?
             },
             densities={
                 "SOA1": 1.2 * si.g / si.cm**3,
@@ -149,7 +157,9 @@ class AerosolBoreal(DryAerosolMixture):
         self.modes = (
             {
                 "f_org": 1 - self.f_soluble_volume(Aitken),
-                "kappa": self.kappa(Aitken),
+                "kappa": self.kappa(
+                    mass_fractions=Aitken, water_molar_volume=water_molar_volume
+                ),
                 "nu_org": self.nu_org(Aitken),
                 "spectrum": spectra.Lognormal(
                     norm_factor=1110 / si.cm**3, m_mode=22.65 * si.nm, s_geom=1.75
@@ -157,7 +167,9 @@ class AerosolBoreal(DryAerosolMixture):
             },
             {
                 "f_org": 1 - self.f_soluble_volume(Accumulation),
-                "kappa": self.kappa(Accumulation),
+                "kappa": self.kappa(
+                    mass_fractions=Accumulation, water_molar_volume=water_molar_volume
+                ),
                 "nu_org": self.nu_org(Accumulation),
                 "spectrum": spectra.Lognormal(
                     norm_factor=Acc_N2 / si.cm**3,
@@ -184,8 +196,10 @@ class AerosolNascent(DryAerosolMixture):
 
     # DENSITY                 = [1.841, 1.78, 1.77, 1.2, 1.24, 2., 2.65, 2.165]; %[gcm-3]
 
-    def __init__(self, Acc_Forg: float = 0.3, Acc_N2: float = 30):
-        # TODO #604: CAN'T FIND WHEN PHI IS MULTIPLIED FOR KÖHLER B IN ICPM CODE
+    def __init__(
+        self, water_molar_volume: float, Acc_Forg: float = 0.3, Acc_N2: float = 30
+    ):
+        # TODO #1247: CAN'T FIND WHEN PHI IS MULTIPLIED FOR KÖHLER B IN ICPM CODE
         Ultrafine = {
             "SOA1": 0.52,
             "SOA2": 0,
@@ -203,8 +217,8 @@ class AerosolNascent(DryAerosolMixture):
                 "(NH4)2SO4": 3,
             },
             molar_masses={
-                "SOA1": 190 * si.g / si.mole,  # TODO #604: 190 OR 200?
-                "SOA2": 368.4 * si.g / si.mole,  # TODO #604: 368.4 OR 200?
+                "SOA1": 190 * si.g / si.mole,  # TODO #1247: 190 OR 200?
+                "SOA2": 368.4 * si.g / si.mole,  # TODO #1247: 368.4 OR 200?
                 "(NH4)2SO4": Substance.from_formula("(NH4)2SO4").mass
                 * si.gram
                 / si.mole,
@@ -224,7 +238,9 @@ class AerosolNascent(DryAerosolMixture):
         self.modes = (
             {
                 "f_org": 1 - self.f_soluble_volume(Ultrafine),
-                "kappa": self.kappa(Ultrafine),
+                "kappa": self.kappa(
+                    mass_fractions=Ultrafine, water_molar_volume=water_molar_volume
+                ),
                 "nu_org": self.nu_org(Ultrafine),
                 "spectrum": spectra.Lognormal(
                     norm_factor=2000 / si.cm**3, m_mode=11.5 * si.nm, s_geom=1.71
@@ -232,7 +248,9 @@ class AerosolNascent(DryAerosolMixture):
             },
             {
                 "f_org": 1 - self.f_soluble_volume(Accumulation),
-                "kappa": self.kappa(Accumulation),
+                "kappa": self.kappa(
+                    mass_fractions=Accumulation, water_molar_volume=water_molar_volume
+                ),
                 "nu_org": self.nu_org(Accumulation),
                 "spectrum": spectra.Lognormal(
                     norm_factor=Acc_N2 / si.cm**3, m_mode=100 * si.nm, s_geom=1.703

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Merlivat_and_Nief_1967/__init__.py

@@ -2,4 +2,5 @@
 figure from Merlivat and Nief 1967 (Tellus)
 https://doi.org/10.3402/tellusa.v19i1.9756
 """
+
 # pylint: disable=invalid-name

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Niedermeier_et_al_2014/__init__.py

@@ -1,3 +1,4 @@
 """ based on [Niedermeier et al. 2014](https://doi.org/10.1002/2013GL058684) """
+
 from .settings import Settings
 from .simulation import Simulation

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Niedermeier_et_al_2014/simulation.py

@@ -68,9 +68,11 @@ class Simulation(BasicSimulation):
                     data[:-1],
                     np.full(
                         settings.in_sampling_n,
-                        data[-1]
-                        if attribute != "multiplicity"
-                        else data[-1] / settings.in_sampling_n,
+                        (
+                            data[-1]
+                            if attribute != "multiplicity"
+                            else data[-1] / settings.in_sampling_n
+                        ),
                     ),
                 )
             )

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Pierchala_et_al_2022/__init__.py

@@ -2,4 +2,5 @@
 based on Pierchala et al. 2022 (Geochim. Cosmochim. Acta)
 https://doi.org/10.1016/j.gca.2022.01.020
 """
+
 # pylint: disable=invalid-name

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Pyrcel/profile_plotter.py

@@ -57,11 +57,11 @@ class ProfilePlotter:
                 settings.formulae.trivia.radius(volume=np.asarray(volume)) / si.um,
                 output["products"]["z"],
                 color="magenta" if drop_id < settings.n_sd_per_mode[0] else "blue",
-                label="mode 1"
-                if drop_id == 0
-                else "mode 2"
-                if drop_id == settings.n_sd_per_mode[0]
-                else "",
+                label=(
+                    "mode 1"
+                    if drop_id == 0
+                    else "mode 2" if drop_id == settings.n_sd_per_mode[0] else ""
+                ),
             )
         axR.legend(loc="upper right")
         axR.set_xlabel("Droplet radius [μm]")

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Shipway_and_Hill_2012/settings.py

@@ -1,9 +1,9 @@
 from typing import Iterable
 
 import numpy as np
+from numdifftools import Derivative
 from scipy.integrate import solve_ivp
 from scipy.interpolate import interp1d
-from scipy.misc import derivative
 
 from PySDM import Formulae
 from PySDM.dynamics import condensation
@@ -60,8 +60,8 @@ class Settings:
         self.t_max = t_max
 
         t_1 = 600 * si.s
-        self.rho_times_w = (
-            lambda t: rho_times_w_1 * np.sin(np.pi * t / t_1) if t < t_1 else 0
+        self.rho_times_w = lambda t: (
+            rho_times_w_1 * np.sin(np.pi * t / t_1) if t < t_1 else 0
         )
         apprx_w1 = rho_times_w_1 / self.formulae.constants.rho_STP
         self.particle_reservoir_depth = (
@@ -106,9 +106,9 @@ class Settings:
             water_vapour_mixing_ratio = self.water_vapour_mixing_ratio(
                 z_above_reservoir
             )
-            d_water_vapour_mixing_ratio__dz = derivative(
-                self.water_vapour_mixing_ratio, z_above_reservoir
-            )
+            d_water_vapour_mixing_ratio__dz = Derivative(
+                self.water_vapour_mixing_ratio
+            )(z_above_reservoir)
             T = self.formulae.state_variable_triplet.T(
                 rhod[0], self.thd(z_above_reservoir)
             )

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Singer_Ward/aerosol.py

@@ -8,7 +8,7 @@ from PySDM.physics import si
 
 @strict
 class AerosolBetaCaryophylleneDark(DryAerosolMixture):
-    def __init__(self, Forg: float = 0.8, N: float = 400):
+    def __init__(self, water_molar_volume: float, Forg: float = 0.8, N: float = 400):
         mode = {
             "(NH4)2SO4": (1 - Forg),
             "bcary_dark": Forg,
@@ -38,7 +38,9 @@ class AerosolBetaCaryophylleneDark(DryAerosolMixture):
         self.modes = (
             {
                 "f_org": 1 - self.f_soluble_volume(mode),
-                "kappa": self.kappa(mode),
+                "kappa": self.kappa(
+                    mass_fractions=mode, water_molar_volume=water_molar_volume
+                ),
                 "nu_org": self.nu_org(mode),
                 "spectrum": spectra.Lognormal(
                     norm_factor=N / si.cm**3, m_mode=50.0 * si.nm, s_geom=1.75
@@ -50,7 +52,7 @@ class AerosolBetaCaryophylleneDark(DryAerosolMixture):
 
 
 class AerosolBetaCaryophylleneLight(DryAerosolMixture):
-    def __init__(self, Forg: float = 0.8, N: float = 400):
+    def __init__(self, water_molar_volume: float, Forg: float = 0.8, N: float = 400):
         mode = {
             "(NH4)2SO4": (1 - Forg),
             "bcary_light": Forg,
@@ -80,7 +82,9 @@ class AerosolBetaCaryophylleneLight(DryAerosolMixture):
         self.modes = (
             {
                 "f_org": 1 - self.f_soluble_volume(mode),
-                "kappa": self.kappa(mode),
+                "kappa": self.kappa(
+                    mass_fractions=mode, water_molar_volume=water_molar_volume
+                ),
                 "nu_org": self.nu_org(mode),
                 "spectrum": spectra.Lognormal(
                     norm_factor=N / si.cm**3, m_mode=50.0 * si.nm, s_geom=1.75
@@ -93,7 +97,7 @@ class AerosolBetaCaryophylleneLight(DryAerosolMixture):
 
 @strict
 class AerosolAlphaPineneDark(DryAerosolMixture):
-    def __init__(self, Forg: float = 0.8, N: float = 400):
+    def __init__(self, water_molar_volume: float, Forg: float = 0.8, N: float = 400):
         mode = {
             "(NH4)2SO4": (1 - Forg),
             "apinene_dark": Forg,
@@ -123,7 +127,9 @@ class AerosolAlphaPineneDark(DryAerosolMixture):
         self.modes = (
             {
                 "f_org": 1 - self.f_soluble_volume(mode),
-                "kappa": self.kappa(mode),
+                "kappa": self.kappa(
+                    mass_fractions=mode, water_molar_volume=water_molar_volume
+                ),
                 "nu_org": self.nu_org(mode),
                 "spectrum": spectra.Lognormal(
                     norm_factor=N / si.cm**3, m_mode=50.0 * si.nm, s_geom=1.75
@@ -136,7 +142,7 @@ class AerosolAlphaPineneDark(DryAerosolMixture):
 
 @strict
 class AerosolAlphaPineneLight(DryAerosolMixture):
-    def __init__(self, Forg: float = 0.8, N: float = 400):
+    def __init__(self, water_molar_volume: float, Forg: float = 0.8, N: float = 400):
         mode = {
             "(NH4)2SO4": (1 - Forg),
             "apinene_light": Forg,
@@ -166,7 +172,9 @@ class AerosolAlphaPineneLight(DryAerosolMixture):
         self.modes = (
             {
                 "f_org": 1 - self.f_soluble_volume(mode),
-                "kappa": self.kappa(mode),
+                "kappa": self.kappa(
+                    mass_fractions=mode, water_molar_volume=water_molar_volume
+                ),
                 "nu_org": self.nu_org(mode),
                 "spectrum": spectra.Lognormal(
                     norm_factor=N / si.cm**3, m_mode=50.0 * si.nm, s_geom=1.75

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Srivastava_1982/__init__.py

@@ -2,6 +2,7 @@
 box-model examples feat. analytic solution for breakup from
 [Srivastava 1982 (JAS)](https://doi.org/10.1175/1520-0469(1982)039%3C1317:ASMOPC%3E2.0.CO;2)
 """
+
 from .equations import Equations, EquationsHelpers
 from .example import (
     add_to_plot_simulation_results,

{PySDM-examples-2.39 → PySDM-examples-2.41}/PySDM_examples/Srivastava_1982/example.py

@@ -137,10 +137,10 @@ def get_breakup_coalescence_analytic_results(equations, settings, m0, x, x_log):
 
 def get_analytic_results(equations, settings, mean_mass, mean_mass_ratio):
     res = {}
-    res[
-        SimProducts.Computed.mean_drop_volume_total_volume_ratio.name
-    ] = compute_drop_volume_total_volume_ratio(
-        mean_volume=mean_mass / settings.rho, total_volume=settings.total_volume
+    res[SimProducts.Computed.mean_drop_volume_total_volume_ratio.name] = (
+        compute_drop_volume_total_volume_ratio(
+            mean_volume=mean_mass / settings.rho, total_volume=settings.total_volume
+        )
     )
     res[SimProducts.PySDM.total_numer.name] = equations.M / mean_mass_ratio
     return res