From 0bfc98a02b45085485bd246cba449350d52f94d4 Mon Sep 17 00:00:00 2001 From: Sylwester Arabas Date: Wed, 19 Jun 2024 15:06:07 +0200 Subject: [PATCH] replacing optional (sic!) normalisation by dv with meaningful specific=True/False flag in ParticleSizeSpectrum product (#1343) --- PySDM/products/size_spectral/__init__.py | 2 +- .../size_spectral/particle_size_spectrum.py | 28 +- .../Lowe_et_al_2019/fig_2.ipynb | 3614 ++++++++++++++- .../Pyrcel/example_basic_run.ipynb | 3929 ++++++++++++++++- examples/PySDM_examples/Pyrcel/simulation.py | 6 +- .../make_default_product_collection.py | 4 +- tests/unit_tests/conftest.py | 5 +- tests/unit_tests/products/test_impl.py | 4 +- .../products/test_particle_size_spectrum.py | 105 + 9 files changed, 7640 insertions(+), 57 deletions(-) create mode 100644 tests/unit_tests/products/test_particle_size_spectrum.py diff --git a/PySDM/products/size_spectral/__init__.py b/PySDM/products/size_spectral/__init__.py index 6cd8d4fa3..ab3d1c267 100644 --- a/PySDM/products/size_spectral/__init__.py +++ b/PySDM/products/size_spectral/__init__.py @@ -19,7 +19,7 @@ ActivatedParticleSpecificConcentration, ) from .particle_size_spectrum import ( - ParticleSizeSpectrumPerMass, + ParticleSizeSpectrumPerMassOfDryAir, ParticleSizeSpectrumPerVolume, ) from .particle_volume_versus_radius_logarithm_spectrum import ( diff --git a/PySDM/products/size_spectral/particle_size_spectrum.py b/PySDM/products/size_spectral/particle_size_spectrum.py index 6eb402df1..5e81e8034 100644 --- a/PySDM/products/size_spectral/particle_size_spectrum.py +++ b/PySDM/products/size_spectral/particle_size_spectrum.py @@ -1,5 +1,5 @@ """ -wet radius-binned particle size spectra (per mass of dry air or per volume of air) +wet- or dry-radius binned particle size spectra (per mass of dry air or per volume of air) """ from abc import ABC @@ -10,19 +10,17 @@ class ParticleSizeSpectrum(SpectrumMomentProduct, ABC): - def __init__( - self, *, radius_bins_edges, name, unit, dry=False, normalise_by_dv=False - ): + def __init__(self, *, radius_bins_edges, name, unit, dry=False, specific=False): self.volume_attr = "dry volume" if dry else "volume" self.radius_bins_edges = radius_bins_edges - self.normalise_by_dv = normalise_by_dv + self.specific = specific super().__init__(name=name, unit=unit, attr_unit="m^3") def register(self, builder): builder.request_attribute(self.volume_attr) volume_bins_edges = builder.particulator.formulae.trivia.volume( - self.radius_bins_edges + np.asarray(self.radius_bins_edges) ) self.attr_bins_edges = builder.particulator.backend.Storage.from_ndarray( volume_bins_edges @@ -42,26 +40,28 @@ def _impl(self, **kwargs): self._download_spectrum_moment_to_buffer(rank=0, bin_number=i) vals[:, i] = self.buffer.ravel() - if self.normalise_by_dv: - vals[:] /= self.particulator.mesh.dv + vals[:] /= self.particulator.mesh.dv + + if self.specific: + self._download_to_buffer(self.particulator.environment["rhod"]) - self._download_to_buffer(self.particulator.environment["rhod"]) - rhod = self.buffer.ravel() for i in range(len(self.attr_bins_edges) - 1): dr = self.formulae.trivia.radius( volume=self.attr_bins_edges[i + 1] ) - self.formulae.trivia.radius(volume=self.attr_bins_edges[i]) - vals[:, i] /= rhod * dr + vals[:, i] /= dr + if self.specific: + vals[:, i] /= self.buffer.ravel() return np.squeeze(vals.reshape(self.shape)) -class ParticleSizeSpectrumPerMass(ParticleSizeSpectrum): +class ParticleSizeSpectrumPerMassOfDryAir(ParticleSizeSpectrum): def __init__(self, radius_bins_edges, dry=False, name=None, unit="kg^-1 m^-1"): super().__init__( radius_bins_edges=radius_bins_edges, dry=dry, - normalise_by_dv=True, + specific=True, name=name, unit=unit, ) @@ -72,7 +72,7 @@ def __init__(self, radius_bins_edges, dry=False, name=None, unit="m^-3 m^-1"): super().__init__( radius_bins_edges=radius_bins_edges, dry=dry, - normalise_by_dv=False, + specific=False, name=name, unit=unit, ) diff --git 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" ] }, - "metadata": { - "needs_background": "light" - }, + "metadata": {}, "output_type": "display_data" }, { "data": { "application/vnd.jupyter.widget-view+json": { - "model_id": "16e7f8cc7d94433aadb4b1a085f0118f", + "model_id": "c289f4ee3fb443b1bbc8bc6fde5cdc2e", "version_major": 2, "version_minor": 0 }, @@ -223,7 +3805,7 @@ "bins = settings.wet_radius_bins_edges / si.um\n", "binwidths = np.diff(bins)\n", "for key, out_item in output.items():\n", - " spectra = out_item['spectrum'] * si.mg * si.um\n", + " spectra = out_item['spectrum'] * si.cm**3 * si.um\n", " pyplot.step(\n", " bins[:-1],\n", " uniform_filter1d(spectra * binwidths, size=5),\n", @@ -235,7 +3817,7 @@ "pyplot.xscale('log')\n", "pyplot.grid()\n", "pyplot.xlabel(\"Hydrometeor radius [μm]\")\n", - "pyplot.ylabel(\"Hydrometeor number concentration\\n size distribution [cm$^{-3}$]\")\n", + "pyplot.ylabel(\"Hydrometeor number concentration\\n size distribution [cm$^{-3}$ μm$^{-1}$]\")\n", "xticks = (4,5,6,7,8,9,10,11,12)\n", "axs.set_xticks(xticks)\n", "axs.set_xlim(xticks[0], xticks[-1])\n", @@ -253,7 +3835,7 @@ ], "metadata": { "kernelspec": { - "display_name": "Python 3.10.9 ('pysdm')", + "display_name": "Python 3 (ipykernel)", "language": "python", "name": "python3" }, @@ -267,7 +3849,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.10.9" + "version": "3.9.2" }, "vscode": { "interpreter": { diff --git a/examples/PySDM_examples/Pyrcel/example_basic_run.ipynb b/examples/PySDM_examples/Pyrcel/example_basic_run.ipynb index ecc4efbed..604230337 100644 --- a/examples/PySDM_examples/Pyrcel/example_basic_run.ipynb +++ b/examples/PySDM_examples/Pyrcel/example_basic_run.ipynb @@ -18,7 +18,7 @@ }, { "cell_type": "code", - "execution_count": 28, + "execution_count": 1, "metadata": { "ExecuteTime": { "end_time": "2024-02-01T18:50:44.487515Z", @@ -36,7 +36,7 @@ }, { "cell_type": "code", - "execution_count": 29, + "execution_count": 2, "metadata": { "ExecuteTime": { "end_time": "2024-02-01T18:50:44.500015Z", @@ -63,7 +63,7 @@ }, { "cell_type": "code", - "execution_count": 30, + "execution_count": 3, "metadata": { "ExecuteTime": { "end_time": "2024-02-01T18:50:46.351409Z", @@ -117,7 +117,7 @@ }, { "cell_type": "code", - "execution_count": 31, + "execution_count": 4, "metadata": { "ExecuteTime": { "end_time": "2024-02-01T18:50:47.104078Z", @@ -131,7 +131,7 @@ }, { "cell_type": "code", - "execution_count": 32, + "execution_count": 5, "metadata": { "ExecuteTime": { "end_time": "2024-02-01T18:50:47.495883Z", @@ -141,20 +141,2084 @@ "outputs": [ { "data": { - "text/plain": "
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\")", "application/vnd.jupyter.widget-view+json": { + "model_id": "86be8c039f3c41409ee42fcc1aaf5210", "version_major": 2, - "version_minor": 0, - "model_id": "62569a1bfc574aa6b66dd2357cb2e517" - } + "version_minor": 0 + }, + "text/plain": [ + "HTML(value=\"./size_dist.pdf
\")" + ] }, "metadata": {}, "output_type": "display_data" @@ -253,7 +4142,7 @@ ], "metadata": { "kernelspec": { - "display_name": "Python 3", + "display_name": "Python 3 (ipykernel)", "language": "python", "name": "python3" }, @@ -267,7 +4156,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.8.7" + "version": "3.9.2" } }, "nbformat": 4, diff --git a/examples/PySDM_examples/Pyrcel/simulation.py b/examples/PySDM_examples/Pyrcel/simulation.py index df4e53604..4dee4a685 100644 --- a/examples/PySDM_examples/Pyrcel/simulation.py +++ b/examples/PySDM_examples/Pyrcel/simulation.py @@ -25,7 +25,11 @@ def __init__( ) n_sd = sum(settings.n_sd_per_mode) builder = Builder( - n_sd=n_sd, backend=CPU(formulae=settings.formulae), environment=env + n_sd=n_sd, + backend=CPU( + formulae=settings.formulae, override_jit_flags={"parallel": False} + ), + environment=env, ) builder.add_dynamic(AmbientThermodynamics()) builder.add_dynamic(Condensation(rtol_thd=rtol_thd, rtol_x=rtol_x)) diff --git a/examples/PySDM_examples/Szumowski_et_al_1998/make_default_product_collection.py b/examples/PySDM_examples/Szumowski_et_al_1998/make_default_product_collection.py index bde1d04b8..458f2b4d6 100644 --- a/examples/PySDM_examples/Szumowski_et_al_1998/make_default_product_collection.py +++ b/examples/PySDM_examples/Szumowski_et_al_1998/make_default_product_collection.py @@ -7,12 +7,12 @@ def make_default_product_collection(settings): cloud_range = (settings.aerosol_radius_threshold, settings.drizzle_radius_threshold) products = [ # Note: consider better radius_bins_edges - PySDM_products.ParticleSizeSpectrumPerMass( + PySDM_products.ParticleSizeSpectrumPerMassOfDryAir( name="Particles Wet Size Spectrum", unit="mg^-1 um^-1", radius_bins_edges=settings.r_bins_edges, ), - PySDM_products.ParticleSizeSpectrumPerMass( + PySDM_products.ParticleSizeSpectrumPerMassOfDryAir( name="Particles Dry Size Spectrum", unit="mg^-1 um^-1", radius_bins_edges=settings.r_bins_edges, diff --git a/tests/unit_tests/conftest.py b/tests/unit_tests/conftest.py index 523474ada..9700f2eea 100644 --- a/tests/unit_tests/conftest.py +++ b/tests/unit_tests/conftest.py @@ -9,6 +9,9 @@ def backend_class(request): return request.param -@pytest.fixture(params=(CPU(), GPU()), scope="session") +@pytest.fixture( + params=(pytest.param(CPU(), id="CPU"), pytest.param(GPU(), id="GPU")), + scope="session", +) def backend_instance(request): return request.param diff --git a/tests/unit_tests/products/test_impl.py b/tests/unit_tests/products/test_impl.py index 81f2f21db..8254d57cb 100644 --- a/tests/unit_tests/products/test_impl.py +++ b/tests/unit_tests/products/test_impl.py @@ -27,7 +27,7 @@ MeanVolumeRadius, NumberSizeSpectrum, ParcelLiquidWaterPath, - ParticleSizeSpectrumPerMass, + ParticleSizeSpectrumPerMassOfDryAir, ParticleSizeSpectrumPerVolume, ParticleVolumeVersusRadiusLogarithmSpectrum, RadiusBinnedNumberAveragedTerminalVelocity, @@ -42,7 +42,7 @@ AqueousMassSpectrum: {"key": "S_VI", "dry_radius_bins_edges": (0, np.inf)}, AqueousMoleFraction: {"key": "S_VI"}, TotalDryMassMixingRatio: {"density": 1}, - ParticleSizeSpectrumPerMass: {"radius_bins_edges": (0, np.inf)}, + ParticleSizeSpectrumPerMassOfDryAir: {"radius_bins_edges": (0, np.inf)}, GaseousMoleFraction: {"key": "O3"}, FreezableSpecificConcentration: {"temperature_bins_edges": (0, 300)}, DynamicWallTime: {"dynamic": "Condensation"}, diff --git a/tests/unit_tests/products/test_particle_size_spectrum.py b/tests/unit_tests/products/test_particle_size_spectrum.py new file mode 100644 index 000000000..e5f5e0ecb --- /dev/null +++ b/tests/unit_tests/products/test_particle_size_spectrum.py @@ -0,0 +1,105 @@ +""" +tests the ParticleSizeSpectrum product against per-mass/per-volume and dry-/wet-size choices +""" + +import pytest +import numpy as np +from PySDM import Builder +from PySDM.physics import si +from PySDM.environments import Box +from PySDM.products import ( + ParticleSizeSpectrumPerMassOfDryAir, + ParticleSizeSpectrumPerVolume, +) + + +class TestParticleSizeSpectrum: + @staticmethod + @pytest.mark.parametrize( + "product_class, specific, unit", + ( + (ParticleSizeSpectrumPerVolume, False, "1.0 / meter ** 4"), + (ParticleSizeSpectrumPerMassOfDryAir, True, "1.0 / kilogram / meter"), + ), + ) + def test_specific_flag(product_class, specific, unit, backend_instance): + """checks if the reported concentration is correctly normalised per + volume or mass of air, and per bin size""" + # arrange + dv = 666 * si.m**3 + multiplicity = 1000 + rhod = 44 * si.kg / si.m**3 + min_size = 0 + max_size = 1 * si.mm + + n_sd = 1 + box = Box(dt=np.nan, dv=dv) + builder = Builder(n_sd=n_sd, backend=backend_instance, environment=box) + sut = product_class(radius_bins_edges=(min_size, max_size)) + builder.build( + products=(sut,), + attributes={ + "multiplicity": np.ones(n_sd) * multiplicity, + "water mass": np.ones(n_sd) * si.ug, + }, + ) + box["rhod"] = rhod + + # act + actual = sut.get() + + # assert + assert sut.unit == unit + assert sut.specific == specific + np.testing.assert_approx_equal( + actual=actual, + desired=multiplicity + / dv + / (max_size - min_size) + / (rhod if specific else 1), + significant=10, + ) + + @staticmethod + @pytest.mark.parametrize( + "product_class", + (ParticleSizeSpectrumPerVolume, ParticleSizeSpectrumPerMassOfDryAir), + ) + @pytest.mark.parametrize("dry", (True, False)) + def test_dry_flag(product_class, dry, backend_instance): + """checks if dry or wet size attribute is correctly picked for moment calculation""" + # arrange + n_sd = 1 + dv = 666 * si.m**3 + min_size = 0 + max_size = 1 * si.mm + multiplicity = 100 + rhod = 44 * si.kg / si.m**3 + wet_volume = 1 * si.um**3 + dry_volume = 0.01 * si.um**3 + + box = Box(dt=np.nan, dv=dv) + builder = Builder(n_sd=n_sd, backend=backend_instance, environment=box) + sut = product_class(radius_bins_edges=(min_size, max_size), dry=dry) + builder.build( + products=(sut,), + attributes={ + "multiplicity": np.ones(n_sd) * multiplicity, + "volume": np.ones(n_sd) * (np.nan if dry else wet_volume), + "dry volume": np.ones(n_sd) * (dry_volume if dry else np.nan), + }, + ) + box["rhod"] = rhod + + # act + actual = sut.get() + + # assert + np.testing.assert_approx_equal( + actual=actual, + desired=multiplicity + / dv + / (max_size - min_size) + / (rhod if sut.specific else 1), + significant=10, + )