PySDM 2.48__tar.gz → 2.50__tar.gz

{PySDM-2.48 → PySDM-2.50}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: PySDM
-Version: 2.48
+Version: 2.50
 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-2.48 → PySDM-2.50}/PySDM/formulae.py

@@ -224,7 +224,7 @@ def _formula(func, constants, dimensional_analysis, **kw):
 
 def _boost(obj, fastmath, constants, dimensional_analysis):
     """returns JIT-compiled, `c_inline`-equipped formulae with the constants catalogue attached"""
-    formulae = {"__name__": obj.__class__.__name__}
+    formulae = {"__name__": obj.__name__}
     for item in dir(obj):
         attr = getattr(obj, item)
         if item.startswith("__") or not callable(attr):
@@ -288,13 +288,40 @@ def _c_inline(fun, return_type=None, constants=None, **args):
 
 
 def _pick(value: str, choices: dict, constants: namedtuple):
-    """selects a given physics logic and instantiates it passing the constants catalogue"""
-    for name, cls in choices.items():
-        if name == value:
-            return cls(constants)
-    raise ValueError(
-        f"Unknown setting: '{value}'; choices are: {tuple(choices.keys())}"
-    )
+    """
+    selects a given physics logic and instantiates it passing the constants catalogue;
+    `value` is expected to be string containing a plus-separated list of class names
+    """
+
+    obj = None
+    if "+" not in value:
+        for name, cls in choices.items():
+            if name == value:
+                obj = cls(constants)
+    else:
+        parent_classes = []
+        for name in value.split("+"):
+            if name not in choices:
+                parent_classes.clear()
+                break
+            parent_classes.append(choices[name])
+
+        if len(parent_classes) > 0:
+
+            class Cls(*parent_classes):  # pylint: disable=too-few-public-methods
+                def __init__(self, const):
+                    for cls in parent_classes:
+                        cls.__init__(self, const)
+
+            obj = Cls(constants)
+
+    if obj is None:
+        raise ValueError(
+            f"Unknown setting: '{name}'; choices are: {tuple(choices.keys())}"
+        )
+
+    obj.__name__ = value  # pylint: disable=attribute-defined-outside-init
+    return obj
 
 
 def _choices(module):

{PySDM-2.48 → PySDM-2.50}/PySDM/physics/isotope_equilibrium_fractionation_factors/__init__.py

@@ -2,14 +2,11 @@
 phase equilibrium, defined as ratios alpha of isotopic ratios R """
 
 from .barkan_and_luz_2005 import BarkanAndLuz2005
-from .bolot_et_al_2013 import BolotEtAl2013
-from .graf_phd_2017 import GrafPhD2017
 from .horita_and_wesolowski_1994 import HoritaAndWesolowski1994
 from .majoube_1970 import Majoube1970
 from .majoube_1971 import Majoube1971
 from .merlivat_and_nief_1967 import MerlivatAndNief1967
 from .null import Null
-from .pierchala_et_al_2022 import PierchalaEtAl2022
 from .van_hook_1968 import VanHook1968
 from .lamb_et_al_2017 import LambEtAl2017
 from .ellehoj_et_al_2013 import EllehojEtAl2013

{PySDM-2.48 → PySDM-2.50}/PySDM/physics/isotope_meteoric_water_line_excess/__init__.py

@@ -3,4 +3,3 @@
 from .barkan_and_luz_2007 import BarkanAndLuz2007
 from .dansgaard_1964 import Dansgaard1964
 from .null import Null
-from .pierchala_et_al_2022 import PierchalaEtAl2022

PySDM-2.50/PySDM/products/size_spectral/arbitrary_moment.py

@@ -0,0 +1,79 @@
+"""
+factory for arbitrary-moment product classes
+"""
+
+from PySDM.products.impl.moment_product import MomentProduct
+
+
+def make_arbitrary_moment_product(**kwargs):
+    """returns a product class to be instantiated and passed to a builder"""
+    for arg in kwargs:
+        assert arg in (
+            "rank",
+            "attr",
+            "attr_unit",
+            "skip_division_by_m0",
+            "skip_division_by_dv",
+        )
+
+    class ArbitraryMoment(MomentProduct):
+        def __init__(
+            self,
+            name=None,
+            unit=f"({kwargs['attr_unit']})**{kwargs['rank']}"
+            + ("" if kwargs["skip_division_by_dv"] else " / m**3"),
+        ):
+            super().__init__(name=name, unit=unit)
+
+        def _impl(self, **_):
+            self._download_moment_to_buffer(
+                attr=kwargs["attr"],
+                rank=kwargs["rank"],
+                skip_division_by_m0=kwargs["skip_division_by_m0"],
+            )
+            if not kwargs["skip_division_by_dv"]:
+                self.buffer /= self.particulator.mesh.dv
+            return self.buffer
+
+    return ArbitraryMoment
+
+
+ZerothMoment = make_arbitrary_moment_product(
+    rank=0,
+    attr="volume",
+    attr_unit="m^3",
+    skip_division_by_m0=True,
+    skip_division_by_dv=True,
+)
+
+VolumeFirstMoment = make_arbitrary_moment_product(
+    rank=1,
+    attr="volume",
+    attr_unit="m^3",
+    skip_division_by_m0=True,
+    skip_division_by_dv=True,
+)
+
+VolumeSecondMoment = make_arbitrary_moment_product(
+    rank=2,
+    attr="volume",
+    attr_unit="m^3",
+    skip_division_by_m0=True,
+    skip_division_by_dv=True,
+)
+
+RadiusSixthMoment = make_arbitrary_moment_product(
+    rank=6,
+    attr="radius",
+    attr_unit="m",
+    skip_division_by_m0=True,
+    skip_division_by_dv=True,
+)
+
+RadiusFirstMoment = make_arbitrary_moment_product(
+    rank=1,
+    attr="radius",
+    attr_unit="m",
+    skip_division_by_m0=True,
+    skip_division_by_dv=True,
+)

{PySDM-2.48 → PySDM-2.50}/PySDM.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: PySDM
-Version: 2.48
+Version: 2.50
 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-2.48 → PySDM-2.50}/PySDM.egg-info/SOURCES.txt

@@ -269,22 +269,18 @@ PySDM/physics/impl/fake_unit_registry.py
 PySDM/physics/impl/flag.py
 PySDM/physics/isotope_equilibrium_fractionation_factors/__init__.py
 PySDM/physics/isotope_equilibrium_fractionation_factors/barkan_and_luz_2005.py
-PySDM/physics/isotope_equilibrium_fractionation_factors/bolot_et_al_2013.py
 PySDM/physics/isotope_equilibrium_fractionation_factors/ellehoj_et_al_2013.py
-PySDM/physics/isotope_equilibrium_fractionation_factors/graf_phd_2017.py
 PySDM/physics/isotope_equilibrium_fractionation_factors/horita_and_wesolowski_1994.py
 PySDM/physics/isotope_equilibrium_fractionation_factors/lamb_et_al_2017.py
 PySDM/physics/isotope_equilibrium_fractionation_factors/majoube_1970.py
 PySDM/physics/isotope_equilibrium_fractionation_factors/majoube_1971.py
 PySDM/physics/isotope_equilibrium_fractionation_factors/merlivat_and_nief_1967.py
 PySDM/physics/isotope_equilibrium_fractionation_factors/null.py
-PySDM/physics/isotope_equilibrium_fractionation_factors/pierchala_et_al_2022.py
 PySDM/physics/isotope_equilibrium_fractionation_factors/van_hook_1968.py
 PySDM/physics/isotope_meteoric_water_line_excess/__init__.py
 PySDM/physics/isotope_meteoric_water_line_excess/barkan_and_luz_2007.py
 PySDM/physics/isotope_meteoric_water_line_excess/dansgaard_1964.py
 PySDM/physics/isotope_meteoric_water_line_excess/null.py
-PySDM/physics/isotope_meteoric_water_line_excess/pierchala_et_al_2022.py
 PySDM/physics/isotope_ratio_evolution/__init__.py
 PySDM/physics/isotope_ratio_evolution/merlivat_and_jouzel_1979.py
 PySDM/physics/isotope_ratio_evolution/null.py
@@ -800,6 +796,7 @@ tests/unit_tests/physics/test_trivia.py
 tests/unit_tests/physics/test_ventilation_coefficient.py
 tests/unit_tests/products/__init__.py
 tests/unit_tests/products/test_ambient_relative_humidity.py
+tests/unit_tests/products/test_arbitrary_moment.py
 tests/unit_tests/products/test_averaged_terminal_velocity.py
 tests/unit_tests/products/test_collision_rates.py
 tests/unit_tests/products/test_concentration_product.py

{PySDM-2.48 → PySDM-2.50}/PySDM.egg-info/requires.txt

@@ -11,7 +11,7 @@ pyevtk
 matplotlib
 pytest
 pytest-timeout
-PyPartMC==1.1.3
+PyPartMC==1.1.4
 pyrcel
 jupyter-core<5.0.0
 ipywidgets!=8.0.3

{PySDM-2.48 → PySDM-2.50}/examples/PySDM_examples/Bieli_et_al_2022/simulation.py

@@ -26,8 +26,14 @@ def make_core(settings, coal_eff):
         adaptive=settings.adaptive,
     )
     builder.add_dynamic(collision)
-    M0 = am.make_arbitrary_moment_product(rank=0, attr="volume", attr_unit="m^3")
-    M1 = am.make_arbitrary_moment_product(rank=1, attr="volume", attr_unit="m^3")
-    M2 = am.make_arbitrary_moment_product(rank=2, attr="volume", attr_unit="m^3")
-    products = (M0(name="M0"), M1(name="M1"), M2(name="M2"))
+    common_args = {
+        "attr": "volume",
+        "attr_unit": "m^3",
+        "skip_division_by_m0": True,
+        "skip_division_by_dv": True,
+    }
+    products = tuple(
+        am.make_arbitrary_moment_product(rank=rank, **common_args)(name=f"M{rank}")
+        for rank in range(3)
+    )
     return builder.build(attributes, products)

{PySDM-2.48 → PySDM-2.50}/examples/PySDM_examples/Bolot_et_al_2013/fig_1.ipynb

@@ -67,7 +67,7 @@
    },
    "outputs": [],
    "source": [
-    "formulae = Formulae(isotope_equilibrium_fractionation_factors=\"BolotEtAl2013\")\n",
+    "formulae = Formulae(isotope_equilibrium_fractionation_factors=\"MerlivatAndNief1967+Majoube1970+Majoube1971\")\n",
     "alphas = formulae.isotope_equilibrium_fractionation_factors\n",
     "const = formulae.constants"
    ]

{PySDM-2.48 → PySDM-2.50}/examples/PySDM_examples/Graf_et_al_2019/Table_1.ipynb

@@ -57,7 +57,7 @@
    "outputs": [],
    "source": [
     "formulae = Formulae(\n",
-    "    isotope_equilibrium_fractionation_factors='GrafPhD2017',\n",
+    "    isotope_equilibrium_fractionation_factors='Majoube1970+Majoube1971+MerlivatAndNief1967',\n",
     "    isotope_meteoric_water_line_excess='Dansgaard1964'\n",
     ")\n",
     "const = formulae.constants\n",

{PySDM-2.48 → PySDM-2.50}/examples/PySDM_examples/Pierchala_et_al_2022/fig_3.ipynb

@@ -70,8 +70,8 @@
    "outputs": [],
    "source": [
     "formulae = Formulae(\n",
-    "    isotope_equilibrium_fractionation_factors='PierchalaEtAl2022',\n",
-    "    isotope_meteoric_water_line_excess='PierchalaEtAl2022',\n",
+    "    isotope_equilibrium_fractionation_factors='BarkanAndLuz2005+HoritaAndWesolowski1994',\n",
+    "    isotope_meteoric_water_line_excess='Dansgaard1964+BarkanAndLuz2007',\n",
     "    isotope_ratio_evolution='RayleighDistillation'\n",
     ")\n",
     "const = formulae.constants\n",

{PySDM-2.48 → PySDM-2.50}/examples/PySDM_examples/Pierchala_et_al_2022/fig_4.ipynb

@@ -71,8 +71,8 @@
     "from PySDM_examples.Pierchala_et_al_2022.commons import deltas_0_SMOW, TABLE_1, TABLE_2\n",
     "\n",
     "formulae = Formulae(\n",
-    "    isotope_equilibrium_fractionation_factors='PierchalaEtAl2022',\n",
-    "    isotope_meteoric_water_line_excess='PierchalaEtAl2022',\n",
+    "    isotope_equilibrium_fractionation_factors='BarkanAndLuz2005+HoritaAndWesolowski1994',\n",
+    "    isotope_meteoric_water_line_excess='Dansgaard1964+BarkanAndLuz2007',\n",
     "    isotope_ratio_evolution='RayleighDistillation'\n",
     ")\n",
     "const = formulae.constants\n",

{PySDM-2.48 → PySDM-2.50}/setup.py

@@ -38,7 +38,7 @@ setup(
             "matplotlib",
             "pytest",
             "pytest-timeout",
-            "PyPartMC==1.1.3",
+            "PyPartMC==1.1.4",
         ]
         + (
             [

{PySDM-2.48 → PySDM-2.50}/tests/smoke_tests/no_env/pierchala_et_al_2022/test_supplement.py

@@ -9,7 +9,9 @@ from PySDM import Formulae
 def test_cracow_water_excesses():
     """checking if d-excess and 17O-excess values match those computed from deltas"""
     # arrange
-    formulae = Formulae(isotope_meteoric_water_line_excess="PierchalaEtAl2022")
+    formulae = Formulae(
+        isotope_meteoric_water_line_excess="Dansgaard1964+BarkanAndLuz2007"
+    )
     sut = formulae.isotope_meteoric_water_line_excess
 
     # act/assert

{PySDM-2.48 → PySDM-2.50}/tests/unit_tests/physics/test_isotope_equilibrium_fractionation_factors.py

@@ -43,7 +43,7 @@ CASES = (
 )
 """values from Fig. 1 in [Bolot et al. 2013](https://doi.org/10.5194/acp-13-7903-2013)"""
 
-PAPERS = ("BolotEtAl2013", "VanHook1968")
+PAPERS = ("MerlivatAndNief1967+Majoube1970+Majoube1971", "VanHook1968")
 
 # TODO #1208: tests for VanHook1968 H2_17O, HOT
 

PySDM-2.50/tests/unit_tests/products/test_arbitrary_moment.py

@@ -0,0 +1,119 @@
+""" tests of the product-class-generating `make_arbitrary_moment_product` function """
+
+import pytest
+import numpy as np
+
+from PySDM.products.size_spectral.arbitrary_moment import make_arbitrary_moment_product
+from PySDM import Builder
+from PySDM.backends import CPU
+from PySDM.environments import Box
+from PySDM.physics import si
+
+
+class TestArbitraryMoment:
+    """groups tests to make [de]selecting easier"""
+
+    @staticmethod
+    @pytest.mark.parametrize(
+        "kwargs, expected_unit",
+        (
+            (
+                {
+                    "rank": 0,
+                    "attr": "radius",
+                    "attr_unit": "m",
+                    "skip_division_by_m0": True,
+                    "skip_division_by_dv": True,
+                },
+                "1 dimensionless",
+            ),
+            (
+                {
+                    "rank": 1,
+                    "attr": "radius",
+                    "attr_unit": "m",
+                    "skip_division_by_m0": False,
+                    "skip_division_by_dv": True,
+                },
+                "1 meter",
+            ),
+            (
+                {
+                    "rank": 6,
+                    "attr": "radius",
+                    "attr_unit": "m",
+                    "skip_division_by_m0": True,
+                    "skip_division_by_dv": True,
+                },
+                "1 meter ** 6",
+            ),
+            (
+                {
+                    "rank": 1,
+                    "attr": "water mass",
+                    "attr_unit": "kg",
+                    "skip_division_by_m0": False,
+                    "skip_division_by_dv": True,
+                },
+                "1 kilogram",
+            ),
+            (
+                {
+                    "rank": 1,
+                    "attr": "water mass",
+                    "attr_unit": "kg",
+                    "skip_division_by_m0": False,
+                    "skip_division_by_dv": True,
+                },
+                "1 kilogram",
+            ),
+            (
+                {
+                    "rank": 1,
+                    "attr": "water mass",
+                    "attr_unit": "kg",
+                    "skip_division_by_m0": False,
+                    "skip_division_by_dv": False,
+                },
+                "1.0 kilogram / meter ** 3",
+            ),
+        ),
+    )
+    def test_unit(kwargs, expected_unit):
+        """tests if the product unit respects arguments (incl. division by dv)"""
+        # arrange
+        product_class = make_arbitrary_moment_product(**kwargs)
+
+        # act
+        sut = product_class()
+
+        # assert
+        assert sut.unit == expected_unit
+
+    @staticmethod
+    @pytest.mark.parametrize("skip_division_by_dv", (True, False))
+    def test_division_by_dv(skip_division_by_dv):
+        """tests, using a single-superdroplet setup, if the volume normalisation logic works"""
+        # arrange
+        dv = 666 * si.m**3
+        product_class = make_arbitrary_moment_product(
+            rank=1,
+            attr="water mass",
+            attr_unit="kg",
+            skip_division_by_m0=False,
+            skip_division_by_dv=skip_division_by_dv,
+        )
+        builder = Builder(n_sd=1, backend=CPU(), environment=Box(dv=dv, dt=np.nan))
+        particulator = builder.build(
+            attributes={
+                k: np.ones(builder.particulator.n_sd)
+                for k in ("multiplicity", "water mass")
+            },
+            products=(product_class(name="sut"),),
+        )
+
+        # act
+        values = particulator.products["sut"].get()
+
+        # assert
+        assert values == 1 / (1 if skip_division_by_dv else dv)

{PySDM-2.48 → PySDM-2.50}/tests/unit_tests/test_formulae.py

@@ -89,3 +89,15 @@ class TestFormulae:
 
         # assert
         assert sut.get_constant("rho_w") == rho_w
+
+    @staticmethod
+    @pytest.mark.parametrize("arg", ("Dansgaard1964+BarkanAndLuz2007", "Dansgaard1964"))
+    def test_plus_separated_ctor_arg(arg):
+        # arrange
+        sut = formulae.Formulae(isotope_meteoric_water_line_excess=arg)
+
+        # act
+        class_name = sut.isotope_meteoric_water_line_excess.__name__
+
+        # assert
+        assert class_name == arg

PySDM-2.48/PySDM/physics/isotope_equilibrium_fractionation_factors/bolot_et_al_2013.py

@@ -1,20 +0,0 @@
-"""
-Equilibrium fractionation factors used in [Bolot et al. 2013](https://10.5194/acp-13-7903-2013)
-"""
-
-from PySDM.physics.isotope_equilibrium_fractionation_factors.majoube_1970 import (
-    Majoube1970,
-)
-from PySDM.physics.isotope_equilibrium_fractionation_factors.majoube_1971 import (
-    Majoube1971,
-)
-from PySDM.physics.isotope_equilibrium_fractionation_factors.merlivat_and_nief_1967 import (
-    MerlivatAndNief1967,
-)
-
-
-class BolotEtAl2013(MerlivatAndNief1967, Majoube1970, Majoube1971):
-    def __init__(self, const):
-        MerlivatAndNief1967.__init__(self, const)
-        Majoube1970.__init__(self, const)
-        Majoube1971.__init__(self, const)

PySDM-2.48/PySDM/physics/isotope_equilibrium_fractionation_factors/graf_phd_2017.py

@@ -1,21 +0,0 @@
-"""
-Equilibrium fractionation factors used in
-[Graf et al. 2017](https://doi.org/10.3929/ethz-b-000266387)
-"""
-
-from PySDM.physics.isotope_equilibrium_fractionation_factors.majoube_1970 import (
-    Majoube1970,
-)
-from PySDM.physics.isotope_equilibrium_fractionation_factors.majoube_1971 import (
-    Majoube1971,
-)
-from PySDM.physics.isotope_equilibrium_fractionation_factors.merlivat_and_nief_1967 import (
-    MerlivatAndNief1967,
-)
-
-
-class GrafPhD2017(Majoube1970, Majoube1971, MerlivatAndNief1967):
-    def __init__(self, const):
-        Majoube1970.__init__(self, const)
-        Majoube1971.__init__(self, const)
-        MerlivatAndNief1967.__init__(self, const)

PySDM-2.48/PySDM/physics/isotope_equilibrium_fractionation_factors/pierchala_et_al_2022.py

@@ -1,16 +0,0 @@
-"""
-Equilibrium fractionation factors used in [Pierchala et al. 2022](https://10.1016/j.gca.2022.01.020)
-"""
-
-from PySDM.physics.isotope_equilibrium_fractionation_factors.barkan_and_luz_2005 import (
-    BarkanAndLuz2005,
-)
-from PySDM.physics.isotope_equilibrium_fractionation_factors.horita_and_wesolowski_1994 import (
-    HoritaAndWesolowski1994,
-)
-
-
-class PierchalaEtAl2022(BarkanAndLuz2005, HoritaAndWesolowski1994):
-    def __init__(self, const):
-        HoritaAndWesolowski1994.__init__(self, const)
-        BarkanAndLuz2005.__init__(self, const)

PySDM-2.48/PySDM/physics/isotope_meteoric_water_line_excess/pierchala_et_al_2022.py

@@ -1,12 +0,0 @@
-"""
-Water isotopic line excess parameters used in
-[Pierchala et al. 2022](https://10.1016/j.gca.2022.01.020)
-"""
-
-from .barkan_and_luz_2007 import BarkanAndLuz2007
-from .dansgaard_1964 import Dansgaard1964
-
-
-class PierchalaEtAl2022(Dansgaard1964, BarkanAndLuz2007):
-    def __init__(self, _):
-        pass

PySDM-2.48/PySDM/products/size_spectral/arbitrary_moment.py

@@ -1,41 +0,0 @@
-"""
-factory for arbitrary-moment product classes
-"""
-
-from PySDM.products.impl.moment_product import MomentProduct
-
-
-def make_arbitrary_moment_product(**kwargs):
-    for arg in kwargs:
-        assert arg in ("rank", "attr", "attr_unit")
-
-    class ArbitraryMoment(MomentProduct):
-        def __init__(
-            self, name=None, unit=f"({kwargs['attr_unit']})**{kwargs['rank']}"
-        ):
-            super().__init__(name=name, unit=unit)
-            self.attr = kwargs["attr"]
-            self.rank = kwargs["rank"]
-
-        def _impl(self, **kwargs):
-            self._download_moment_to_buffer(
-                attr=self.attr, rank=self.rank, skip_division_by_m0=True
-            )
-            return self.buffer
-
-    return ArbitraryMoment
-
-
-ZerothMoment = make_arbitrary_moment_product(rank=0, attr="volume", attr_unit="m^3")
-
-VolumeFirstMoment = make_arbitrary_moment_product(
-    rank=1, attr="volume", attr_unit="m^3"
-)
-
-VolumeSecondMoment = make_arbitrary_moment_product(
-    rank=2, attr="volume", attr_unit="m^3"
-)
-
-RadiusSixthMoment = make_arbitrary_moment_product(rank=6, attr="radius", attr_unit="m")
-
-RadiusFirstMoment = make_arbitrary_moment_product(rank=1, attr="radius", attr_unit="m")