PySDM 2.39__tar.gz → 2.40__tar.gz

{PySDM-2.39 → PySDM-2.40}/.github/workflows/tests+artifacts+pypi.yml

@@ -106,7 +106,6 @@ jobs:
     - run: |
         # TODO #682
         pylint --max-module-lines=550 --unsafe-load-any-extension=y --disable=fixme,too-many-function-args,unsubscriptable-object,consider-using-with,protected-access,too-many-statements,too-many-public-methods,too-many-branches,duplicate-code,invalid-name,missing-function-docstring,missing-module-docstring,missing-class-docstring,too-many-locals,too-many-instance-attributes,too-few-public-methods,too-many-arguments,c-extension-no-member $(git ls-files '*.py' | grep ^examples)
-        pylint --max-module-lines=550 --unsafe-load-any-extension=y --disable=fixme,too-many-function-args,unsubscriptable-object,consider-using-with,protected-access,too-many-statements,too-many-public-methods,too-many-branches,duplicate-code,invalid-name,missing-function-docstring,missing-module-docstring,missing-class-docstring,too-many-locals,too-many-instance-attributes,too-few-public-methods,too-many-arguments,c-extension-no-member $(git ls-files '*.py' | grep ^tutorials)
     - run: |
         # TODO #682
         nbqa pylint --unsafe-load-any-extension=y --disable=fixme,duplicate-code,invalid-name,trailing-whitespace,line-too-long,missing-function-docstring,wrong-import-position,missing-module-docstring,wrong-import-order,ungrouped-imports,no-member,too-many-locals,unnecessary-lambda-assignment $(git ls-files '*.ipynb')

{PySDM-2.39 → PySDM-2.40}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: PySDM
-Version: 2.39
+Version: 2.40
 Summary: Pythonic particle-based (super-droplet) warm-rain/aqueous-chemistry cloud microphysics package with box, parcel & 1D/2D prescribed-flow examples in Python, Julia and Matlab
 Home-page: https://github.com/open-atmos/PySDM
 Author: https://github.com/open-atmos/PySDM/graphs/contributors

{PySDM-2.39 → PySDM-2.40}/PySDM/initialisation/aerosol_composition/dry_aerosol.py

@@ -16,14 +16,13 @@ from typing import Dict, Tuple
 
 from PySDM import formulae
 from PySDM.physics import surface_tension
-from PySDM.physics.constants_defaults import Mv, rho_w
 
 
 class DryAerosolMixture:
     def __init__(
         self,
         *,
-        compounds: Tuple[str],
+        compounds: Tuple[str, ...],
         densities: Dict[str, float],
         molar_masses: Dict[str, float],
         is_soluble: Dict[str, bool],
@@ -44,21 +43,21 @@ class DryAerosolMixture:
     def modes(self, value: Tuple[Dict]):
         self._modes = value
 
-    # convert mass fractions to volume fractions
     def volume_fractions(self, mass_fractions: dict):
+        """convert mass fractions to volume fractions"""
         return {
             k: (mass_fractions[k] / self.densities[k])
             / sum(mass_fractions[i] / self.densities[i] for i in self.compounds)
             for k in self.compounds
         }
 
-    # calculate total volume fraction of soluble species
     def f_soluble_volume(self, mass_fractions: dict):
+        """calculate total volume fraction of soluble species"""
         volfrac = self.volume_fractions(mass_fractions)
         return sum(self.is_soluble[k] * volfrac[k] for k in self.compounds)
 
-    # calculate volume fractions of just soluble or just insoluble species
     def volfrac_just_soluble(self, volfrac: dict, soluble=True):
+        """calculate volume fractions of just soluble or just insoluble species"""
         if soluble:
             _masked = {k: (self.is_soluble[k]) * volfrac[k] for k in self.compounds}
         else:
@@ -71,8 +70,8 @@ class DryAerosolMixture:
             x = {k: _masked[k] / _denom for k in self.compounds}
         return x
 
-    # calculate hygroscopicities with different assumptions about solubility
-    def kappa(self, mass_fractions: dict):
+    def kappa(self, mass_fractions: dict, water_molar_volume: float):
+        """calculate hygroscopicities with different assumptions about solubility"""
         volfrac = self.volume_fractions(mass_fractions)
         molar_volumes = {
             i: self.molar_masses[i] / self.densities[i] for i in self.compounds
@@ -94,19 +93,19 @@ class DryAerosolMixture:
         result = {}
         for st in formulae._choices(surface_tension).keys():
             if st in (surface_tension.Constant.__name__):
-                result[st] = all_soluble_ns * Mv / rho_w
+                result[st] = all_soluble_ns * water_molar_volume
             elif st in (
                 surface_tension.CompressedFilmOvadnevaite.__name__,
                 surface_tension.CompressedFilmRuehl.__name__,
                 surface_tension.SzyszkowskiLangmuir.__name__,
             ):
-                result[st] = part_soluble_ns * Mv / rho_w
+                result[st] = part_soluble_ns * water_molar_volume
             else:
                 raise AssertionError()
         return result
 
-    # calculate molar volume of just organic species
     def nu_org(self, mass_fractions: dict):
+        """calculate molar volume of just organic species"""
         volfrac = self.volume_fractions(mass_fractions)
         molar_volumes = {
             i: self.molar_masses[i] / self.densities[i] for i in self.compounds

{PySDM-2.39 → PySDM-2.40}/PySDM.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: PySDM
-Version: 2.39
+Version: 2.40
 Summary: Pythonic particle-based (super-droplet) warm-rain/aqueous-chemistry cloud microphysics package with box, parcel & 1D/2D prescribed-flow examples in Python, Julia and Matlab
 Home-page: https://github.com/open-atmos/PySDM
 Author: https://github.com/open-atmos/PySDM/graphs/contributors

{PySDM-2.39 → PySDM-2.40}/PySDM.egg-info/SOURCES.txt

@@ -613,6 +613,7 @@ tests/smoke_tests/no_env/pierchala_et_al_2022/test_fig_3.py
 tests/smoke_tests/no_env/pierchala_et_al_2022/test_fig_4.py
 tests/smoke_tests/no_env/pierchala_et_al_2022/test_supplement.py
 tests/smoke_tests/parcel/abdul_razzak_ghan_2000/__init__.py
+tests/smoke_tests/parcel/abdul_razzak_ghan_2000/test_ARG_example.py
 tests/smoke_tests/parcel/abdul_razzak_ghan_2000/test_just_do_it.py
 tests/smoke_tests/parcel/abdul_razzak_ghan_2000/test_single_supersaturation_peak.py
 tests/smoke_tests/parcel/arabas_and_shima_2017/__init__.py
@@ -743,9 +744,8 @@ tests/unit_tests/products/test_concentration_product.py
 tests/unit_tests/products/test_cooling_rate.py
 tests/unit_tests/products/test_impl.py
 tests/unit_tests/products/test_particle_size_product.py
-tutorials/collisions/__init__.py
+tutorials/README.md
 tutorials/collisions/collection_droplet.svg
 tutorials/collisions/collisions_playground.ipynb
-tutorials/condensation/__init__.py
 tutorials/condensation/condensation_playground.ipynb
 tutorials/condensation/kohler_curve.svg

{PySDM-2.39 → PySDM-2.40}/examples/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
                 ),