From 327244b62432577abc7810d29835b2be653230ef Mon Sep 17 00:00:00 2001 From: emmacware Date: Fri, 28 Feb 2025 20:46:05 +0100 Subject: [PATCH 1/6] dustpy in notebook --- examples/additive_coag_comparison.ipynb | 32926 ++++++++++++++++++++++ 1 file changed, 32926 insertions(+) create mode 100644 examples/additive_coag_comparison.ipynb diff --git a/examples/additive_coag_comparison.ipynb b/examples/additive_coag_comparison.ipynb new file mode 100644 index 00000000..a2649036 --- /dev/null +++ b/examples/additive_coag_comparison.ipynb @@ -0,0 +1,32926 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "1a90349d", + "metadata": {}, + "source": [ + "[![nbviewer](https://raw.githubusercontent.com/jupyter/design/master/logos/Badges/nbviewer_badge.svg)](https://nbviewer.jupyter.org/github/open-atmos/PyPartMC/blob/main/examples/additive_coag_comparison.ipynb) \n", + "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/open-atmos/PyPartMC/blob/main/examples/additive_coag_comparison.ipynb) \n", + "[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/open-atmos/PyPartMC.git/main?urlpath=lab/tree/examples/additive_coag_comparison.ipynb)" + ] + }, + { + "cell_type": "code", + "execution_count": 75, + "id": "159edeb4", + "metadata": {}, + "outputs": [], + "source": [ + "# This file is a part of PyPartMC licensed under the GNU General Public License v3\n", + "# Copyright (C) 2025 University of Illinois Urbana-Champaign\n", + "#\n", + "# PartMC Authors:\n", + "# - https://github.com/compdyn/partmc/graphs/contributors\n", + "# - https://github.com/open-atmos/PyPartMC/graphs/contributors" + ] + }, + { + "cell_type": "code", + "execution_count": 76, + "id": "749c1483", + "metadata": {}, + "outputs": [], + "source": [ + "# pylint: disable=too-few-public-methods, import-outside-toplevel, missing-class-docstring" + ] + }, + { + "cell_type": "markdown", + "id": "681810a3", + "metadata": {}, + "source": [ + "\n", + "This notebook aims to compare the results of three stochastic particle-based models using a coagulation only box model test case.\n", + "The models (PyPartMC, PySDM, and Droplets.jl) model the evolution of the droplet size distribution using the Golovin (additive) collision kernel [Golovin 1963](http://mi.mathnet.ru/dan27630). We have chosen this kernel because it has an analytical solution, also included in this notebook.\n", + "These settings reproduce Figure 2a in section 5.1.4 of [Shima et al. 2009](https://DOI.org/10.1002/qj.441) as a \"Hello World\" for droplet collisional growth.\n", + "[PySDM](https://open-atmos.github.io/PySDM/) and [Droplets.jl](https://github.com/emmacware/droplets.jl) use the Shima et al. 2009 coagulation scheme (Super-Droplet Method or SDM), and PyPartMC uses the Weighted Flow Algorithm (WFA) for droplet coagulation [DeVille et al. 2011](https://DOI.org/10.1016/j.jcp.2011.07.027) \n", + "\n", + "Another goal of this notebook is to provide a framework for additional model comparisons. The structure of the workflow in this notebook was created with this in mind. The model subclasses within the run class standardize the format of the common input and output, creating a format for new models to follow. Although all models represented currently are particle-based models, the format and settings should be generalizable to any method that handles coagulation growth of cloud droplets. An example workflow for models different languages is also included in the notebook with Droplets.jl, a native Julia model." + ] + }, + { + "cell_type": "code", + "execution_count": 77, + "id": "4f8359c2", + "metadata": {}, + "outputs": [], + "source": [ + "import sys\n", + "import shutil\n", + "\n", + "if \"google.colab\" in sys.modules:\n", + " !pip --quiet install open-atmos-jupyter-utils\n", + " from open_atmos_jupyter_utils import pip_install_on_colab\n", + " pip_install_on_colab('PyPartMC', 'PySDM','dustpy')\n", + " \n", + " # install julia if not in system\n", + " if shutil.which('julia') is None:\n", + " !wget -q https://julialang-s3.julialang.org/bin/linux/x64/1.11/julia-1.11.3-linux-x86_64.tar.gz -O /tmp/julia.tar.gz; \\\n", + " tar -x -f /tmp/julia.tar.gz -C /usr/local --strip-components 1; \\\n", + " rm /tmp/julia.tar.gz; \\\n" + ] + }, + { + "cell_type": "code", + "execution_count": 78, + "id": "b494ea6e", + "metadata": {}, + "outputs": [], + "source": [ + "from collections import namedtuple\n", + "from functools import partial\n", + "import urllib\n", + "import json\n", + "import subprocess\n", + "import numpy as np\n", + "import matplotlib.pyplot as plt\n", + "from open_atmos_jupyter_utils.show_anim import show_anim \n", + "# model-related imports have been moved to the specific model class cells" + ] + }, + { + "cell_type": "code", + "execution_count": 79, + "id": "03708307", + "metadata": {}, + "outputs": [], + "source": [ + "SETTINGS = {\n", + " # Physical parameters\n", + " 'N_PART': 2**16,\n", + " 'VOLUME_M3': 1e6,\n", + " 'DT_SEC': 1.,\n", + " 'NUM_CONC_PER_M3': 2**23,\n", + " 'DIAM_AT_MEAN_VOL_M': 2*30.531e-6,\n", + " 'ADDITIVE_KERNEL_COEFF': 1500,\n", + " \n", + " # Plotting parameters\n", + " 'T_MAX_SEC': 3600,\n", + " 'PLOT_TIME_STEP_SEC': 120,\n", + " 'RADIUS_BIN_EDGES_M': list(np.logspace(np.log10(1e-5), np.log10(5e-3), num=129, endpoint=True))\n", + "}\n", + "\n", + "# Derived parameters\n", + "SETTINGS['N_BINS'] = len(SETTINGS[\"RADIUS_BIN_EDGES_M\"]) - 1\n", + "SETTINGS[\"N_PLOT_STEPS\"] = SETTINGS[\"T_MAX_SEC\"] // SETTINGS[\"PLOT_TIME_STEP_SEC\"]\n", + "assert SETTINGS[\"N_PLOT_STEPS\"] * SETTINGS[\"PLOT_TIME_STEP_SEC\"] == SETTINGS[\"T_MAX_SEC\"]\n", + "\n", + "#Load settings into json file for julia process\n", + "with open('setup.json', 'w', encoding='UTF-8') as f:\n", + " json.dump(SETTINGS, f)\n", + "\n", + "SETTINGS['RADIUS_BIN_EDGES_M'] = np.array(SETTINGS['RADIUS_BIN_EDGES_M'])\n", + "SETTINGS = namedtuple(\"Settings\", SETTINGS.keys())(**SETTINGS) # ensure immutable\n", + "\n", + "# Every model is set up to be a subclass of the Run class\n", + "class Run:\n", + " def __init__(self, settings):\n", + " print(f\"Instantiating {self.__class__.__name__}\")\n", + " self.settings = settings" + ] + }, + { + "cell_type": "code", + "execution_count": 80, + "id": "9272286c", + "metadata": {}, + "outputs": [], + "source": [ + "# Format for a new model run, search NEW_MODEL for lines to change\n", + "# pylint: disable=unnecessary-pass\n", + "class NewModelRun(Run):\n", + " def __init__(self,settings):\n", + " super().__init__(settings)\n", + " # Import model packages here instead of at the top of the notebook\n", + " # import newmodel as nm\n", + "\n", + " # use the settings dictionary to set up the model parameters\n", + " self.settings = settings\n", + " self.bin_data = np.full(self.settings.N_BINS, fill_value=np.nan)\n", + "\n", + " def __call__(self):\n", + " # Run the model here\n", + " # Output should be a dictionary with the following spectra:\n", + " out = {'Number Concentration (#/m^3/unit ln R)':{}, 'Mass Density (kg/m^3/unit ln R)':{}}\n", + "\n", + " # Use the settings dictionary to output common results \n", + " pass\n", + "\n", + " # Example run\n", + " for step in range(self.settings.N_PLOT_STEPS+1):\n", + " if step != 0:\n", + " # Run model until next output time (step)\n", + " pass\n", + "\n", + " # Calculate and save mass density and number concentration\n", + " mass_density = self.bin_data.copy() #kilograms of water per m^3 per dlnr\n", + " pass\n", + " out['Mass Density (kg/m^3/unit ln R)'][step] = mass_density\n", + "\n", + " number_density = self.bin_data.copy() #number of water droplets per m^3\n", + " pass\n", + " out['Number Concentration (#/m^3/unit ln R)'][step] = number_density\n", + "\n", + " return out# Format for a new model run, search NEW_MODEL for lines to change\n", + "# pylint: disable=unnecessary-pass\n", + "class NewModelRun(Run):\n", + " def __init__(self,settings):\n", + " super().__init__(settings)\n", + " # Import model packages here instead of at the top of the notebook\n", + " # import newmodel as nm\n", + "\n", + " # use the settings dictionary to set up the model parameters\n", + " self.settings = settings\n", + " self.bin_data = np.full(self.settings.N_BINS, fill_value=np.nan)\n", + "\n", + " def __call__(self):\n", + " # Run the model here\n", + " # Output should be a dictionary with the following spectra:\n", + " out = {'Number Concentration (#/m^3/unit ln R)':{}, 'Mass Density (kg/m^3/unit ln R)':{}}\n", + "\n", + " # Use the settings dictionary to output common results \n", + " pass\n", + "\n", + " # Example run\n", + " for step in range(self.settings.N_PLOT_STEPS+1):\n", + " if step != 0:\n", + " # Run model until next output time (step)\n", + " pass\n", + "\n", + " # Calculate and save mass density and number concentration\n", + " mass_density = self.bin_data.copy() #kilograms of water per m^3 per dlnr\n", + " pass\n", + " out['Mass Density (kg/m^3/unit ln R)'][step] = mass_density\n", + "\n", + " number_density = self.bin_data.copy() #number of water droplets per m^3\n", + " pass\n", + " out['Number Concentration (#/m^3/unit ln R)'][step] = number_density\n", + "\n", + " return out" + ] + }, + { + "cell_type": "code", + "execution_count": 81, + "id": "092168b8", + "metadata": {}, + "outputs": [], + "source": [ + "class AnalyticalSoln(Run):\n", + " \"\"\"\n", + " Analytical solution for the Golovin kernel taken from PySDM \n", + " \"\"\"\n", + " def __init__(self, settings):\n", + " super().__init__(settings)\n", + "\n", + " from PySDM import Formulae\n", + " from PySDM.dynamics.collisions import collision_kernels \n", + "\n", + " self.formulae = Formulae()\n", + " volume_bins_edges = self.formulae.trivia.volume(settings.RADIUS_BIN_EDGES_M)\n", + " dv, dr = np.diff(volume_bins_edges), np.diff(settings.RADIUS_BIN_EDGES_M)\n", + " self.dv_over_dr = dv / dr\n", + " pdf_v_x = volume_bins_edges[:-1] + dv / 2\n", + " self.pdf_r_x = settings.RADIUS_BIN_EDGES_M[:-1] + dr / 2\n", + " \n", + " self.collision_kernel=collision_kernels.Golovin(b=settings.ADDITIVE_KERNEL_COEFF)\n", + " self.times = np.linspace(\n", + " start=0, stop=settings.T_MAX_SEC,\n", + " num=settings.N_PLOT_STEPS+1\n", + " )\n", + " self.analytical_solution = partial(\n", + " self.collision_kernel.analytic_solution,\n", + " x = pdf_v_x,\n", + " x_0= self.formulae.trivia.volume(settings.DIAM_AT_MEAN_VOL_M / 2),\n", + " N_0=self.settings.NUM_CONC_PER_M3\n", + " )\n", + "\n", + " def __call__(self): \n", + " from PySDM.physics import si\n", + "\n", + " out = {'Number Concentration (#/m^3/unit ln R)':{}, 'Mass Density (kg/m^3/unit ln R)':{}}\n", + "\n", + " for step in range(self.settings.N_PLOT_STEPS+1):\n", + " t = step*self.settings.PLOT_TIME_STEP_SEC or 1e-10 #For 0 time\n", + "\n", + " pdf_v_y = (\n", + " self.settings.NUM_CONC_PER_M3\n", + " * self.settings.VOLUME_M3\n", + " * self.analytical_solution(t=t)\n", + " )\n", + " pdf_r_y = pdf_v_y * self.dv_over_dr * self.pdf_r_x\n", + " y_true_mass_density = (\n", + " pdf_r_y\n", + " * self.formulae.trivia.volume(radius=self.pdf_r_x)\n", + " * self.formulae.constants.rho_w\n", + " / self.settings.VOLUME_M3*si.metres**3\n", + " * si.kilograms\n", + " )\n", + " y_true_number_density = (\n", + " pdf_r_y\n", + " / self.settings.VOLUME_M3*si.metres**3\n", + " )\n", + " out['Mass Density (kg/m^3/unit ln R)'][step] = y_true_mass_density\n", + " out['Number Concentration (#/m^3/unit ln R)'][step] = y_true_number_density\n", + "\n", + " return out" + ] + }, + { + "cell_type": "code", + "execution_count": 82, + "id": "29491329", + "metadata": {}, + "outputs": [], + "source": [ + "class RunPySDM(Run):\n", + " def __init__(self, settings):\n", + " import PySDM\n", + " from PySDM.physics import si\n", + "\n", + " builder = PySDM.Builder(\n", + " settings.N_PART,\n", + " backend=PySDM.backends.CPU(),\n", + " environment=PySDM.environments.Box(\n", + " dt=settings.DT_SEC * si.s,\n", + " dv=settings.VOLUME_M3 * si.m**3\n", + " )\n", + " )\n", + " trivia = builder.formulae.trivia\n", + " spectrum = PySDM.initialisation.spectra.Exponential(\n", + " norm_factor=settings.NUM_CONC_PER_M3 * settings.VOLUME_M3 / si.m**3,\n", + " scale=trivia.volume(radius=settings.DIAM_AT_MEAN_VOL_M / 2 * si.m)\n", + " )\n", + " builder.add_dynamic(PySDM.dynamics.Coalescence(\n", + " collision_kernel=PySDM.dynamics.collisions.collision_kernels.Golovin(\n", + " b=settings.ADDITIVE_KERNEL_COEFF\n", + " ), adaptive=False\n", + " ))\n", + "\n", + " self.particulator = builder.build(\n", + " attributes=builder.particulator.environment.init_attributes(\n", + " spectral_discretisation=PySDM.initialisation.sampling.spectral_sampling.Logarithmic(\n", + " spectrum,\n", + " )\n", + " ),\n", + " products=(\n", + " PySDM.products.ParticleSizeSpectrumPerVolume(\n", + " radius_bins_edges=settings.RADIUS_BIN_EDGES_M,\n", + " name='Number Concentration (#/m^3/m)',\n", + " ),\n", + " PySDM.products.ParticleVolumeVersusRadiusLogarithmSpectrum(\n", + " radius_bins_edges=settings.RADIUS_BIN_EDGES_M,\n", + " name='Volume Density (1/ unit ln R)',\n", + " )\n", + " )\n", + " )\n", + " super().__init__(settings)\n", + "\n", + " def __call__(self):\n", + " from PySDM.physics import si, constants_defaults\n", + "\n", + " pysdm_output = {'Number Concentration (#/m^3/unit ln R)':{},\n", + " 'Mass Density (kg/m^3/unit ln R)':{}}\n", + " for step in range(self.settings.N_PLOT_STEPS + 1):\n", + " if step != 0:\n", + " self.particulator.run(int(self.settings.PLOT_TIME_STEP_SEC // self.settings.DT_SEC))\n", + " #next two lines convert from dr to dlnr\n", + " pysdm_output['Number Concentration (#/m^3/unit ln R)'][step] = (\n", + " self.particulator.products['Number Concentration (#/m^3/m)'].get() \n", + " * (self.settings.RADIUS_BIN_EDGES_M[1:]-self.settings.RADIUS_BIN_EDGES_M[:-1])\n", + " / (np.log(self.settings.RADIUS_BIN_EDGES_M[1:]) \n", + " - np.log(self.settings.RADIUS_BIN_EDGES_M[:-1]))\n", + " )\n", + " pysdm_output['Mass Density (kg/m^3/unit ln R)'][step] = (\n", + " self.particulator.products['Volume Density (1/ unit ln R)'].get()[0]\n", + " * constants_defaults.rho_w * si.kilogram / si.metre**3\n", + " )\n", + " return pysdm_output" + ] + }, + { + "cell_type": "code", + "execution_count": 83, + "id": "80e1dcdd", + "metadata": {}, + "outputs": [], + "source": [ + "class RunPartMC(Run):\n", + " def __init__(self, settings):\n", + " import PyPartMC as ppmc\n", + " gas_data = ppmc.GasData((\"Background\",\"NO2\"))\n", + " env_state = ppmc.EnvState(\n", + " {\n", + " \"rel_humidity\": .99,\n", + " \"latitude\": 40,\n", + " \"longitude\": 0,\n", + " \"altitude\": 0 * ppmc.si.m,\n", + " \"start_time\": 0 * ppmc.si.s,\n", + " \"start_day\": 1,\n", + " }\n", + " )\n", + " env_state.additive_kernel_coefficient = settings.ADDITIVE_KERNEL_COEFF\n", + " assert env_state.additive_kernel_coefficient == settings.ADDITIVE_KERNEL_COEFF\n", + "\n", + " aero_data = ppmc.AeroData((\n", + " {\"H2O\": [1000 * ppmc.si.kg / ppmc.si.m**3, 0, 18.0 * ppmc.si.g / ppmc.si.mol, 0.00]},\n", + " ))\n", + " self.gas_state = ppmc.GasState(gas_data)\n", + " placeholder_gas = [\n", + " {\"time\": [0 * ppmc.si.s]},\n", + " {\"rate\": [0 / ppmc.si.s]},\n", + " {\"dist\": [[{\"placeholder\": {\n", + " \"mass_frac\": [{\"H2O\": [1]}],\n", + " \"diam_type\": \"geometric\",\n", + " \"mode_type\": \"log_normal\",\n", + " \"num_conc\": 0 / ppmc.si.m**3,\n", + " \"geom_mean_diam\": 0.02 * ppmc.si.um,\n", + " \"log10_geom_std_dev\": 0.161,\n", + " },}]]},\n", + " ]\n", + "\n", + " scenario = ppmc.Scenario(\n", + " gas_data,\n", + " aero_data,\n", + " {\n", + " \"temp_profile\": [{\"time\": [0]}, {\"temp\": [300]}],\n", + " \"pressure_profile\": [\n", + " {\"time\": [0]},\n", + " {\"pressure\": [100000]},\n", + " ],\n", + " \"height_profile\": [{\"time\": [0]}, {\"height\": [1000]}],\n", + " \"gas_emissions\": placeholder_gas,\n", + " \"gas_background\": placeholder_gas,\n", + " \"aero_emissions\": placeholder_gas,\n", + " \"aero_background\":placeholder_gas,\n", + " \"loss_function\": \"none\",\n", + " },\n", + " )\n", + "\n", + " scenario.init_env_state(env_state, 0.0)\n", + " aero_dist_init = ppmc.AeroDist(aero_data, [\n", + " {\n", + " \"init1\": {\n", + " \"mass_frac\": [{\"H2O\": [1]}],\n", + " \"diam_type\": \"geometric\",\n", + " \"mode_type\": \"exp\",\n", + " \"num_conc\": settings.NUM_CONC_PER_M3 / ppmc.si.m**3,\n", + " \"diam_at_mean_vol\": settings.DIAM_AT_MEAN_VOL_M * ppmc.si.m,\n", + " },\n", + " }\n", + " ])\n", + "\n", + " run_part_opt = ppmc.RunPartOpt(\n", + " {\n", + " \"output_prefix\": 'additive',\n", + " \"do_coagulation\": True,\n", + " \"coag_kernel\": \"additive\",\n", + " \"t_max\": settings.T_MAX_SEC * ppmc.si.s,\n", + " \"del_t\": settings.DT_SEC * ppmc.si.s,\n", + " }\n", + " )\n", + "\n", + " self.aero_state = ppmc.AeroState(aero_data, settings.N_PART, \"flat\")\n", + " self.aero_state.dist_sample(aero_dist_init)\n", + "\n", + " self.run_part_args = (\n", + " scenario,\n", + " env_state,\n", + " aero_data,\n", + " self.aero_state,\n", + " gas_data,\n", + " self.gas_state,\n", + " run_part_opt,\n", + " ppmc.CampCore(),\n", + " ppmc.Photolysis(),\n", + " )\n", + " self.rad_grid = ppmc.BinGrid(\n", + " len(settings.RADIUS_BIN_EDGES_M) - 1,\n", + " \"log\",\n", + " settings.RADIUS_BIN_EDGES_M[0],\n", + " settings.RADIUS_BIN_EDGES_M[-1]\n", + " )\n", + " super().__init__(settings)\n", + " \n", + " def __call__(self):\n", + " import PyPartMC as ppmc\n", + "\n", + " dists = []\n", + " diameters = self.aero_state.diameters()\n", + " num_concs = self.aero_state.num_concs\n", + " masses = self.aero_state.masses()\n", + " mass_concs = np.array(num_concs) * np.array(masses)\n", + " dists_mass = []\n", + " dists.append(ppmc.histogram_1d(self.rad_grid, np.array(diameters)/2, num_concs))\n", + " dists_mass.append(\n", + " ppmc.histogram_1d(self.rad_grid, np.array(diameters)/2, mass_concs)\n", + " )\n", + "\n", + " last_output_time = 0.\n", + " last_progress_time = 0.\n", + " i_output = 1\n", + " t_initial = 0\n", + " for i_time in range(1, int(self.settings.T_MAX_SEC // self.settings.DT_SEC) + 1):\n", + " (last_output_time, last_progress_time, i_output) = ppmc.run_part_timestep(\n", + " *self.run_part_args,\n", + " i_time,\n", + " t_initial,\n", + " last_output_time,\n", + " last_progress_time,\n", + " i_output\n", + " )\n", + " \n", + " if np.mod(i_time * self.settings.DT_SEC, self.settings.PLOT_TIME_STEP_SEC) == 0:\n", + " diameters = self.aero_state.diameters()\n", + " num_concs = self.aero_state.num_concs\n", + " masses = self.aero_state.masses()\n", + " mass_concs = np.array(num_concs) * np.array(masses)\n", + " dists.append(ppmc.histogram_1d(self.rad_grid, np.array(diameters)/2, num_concs))\n", + " dists_mass.append(\n", + " ppmc.histogram_1d(self.rad_grid, np.array(diameters)/2, mass_concs)\n", + " )\n", + "\n", + " return {'Number Concentration (#/m^3/unit ln R)': dists,\n", + " 'Mass Density (kg/m^3/unit ln R)': dists_mass}" + ] + }, + { + "cell_type": "code", + "execution_count": 84, + "id": "f7d54f29", + "metadata": {}, + "outputs": [], + "source": [ + "class RunDropletsJL(Run):\n", + " def __init__(self, _):\n", + " BASE_URL = (\n", + " 'https://raw.githubusercontent.com/emmacware/droplets.jl/REVISION/'\n", + " ).replace('REVISION', 'c3b5ae4edf12c7b10dc8759639f18de1267bc52b')\n", + " for path in (\n", + " 'src/SDfunc/constants.jl', 'src/SDfunc/binning.jl','src/SDfunc/coalescence.jl',\n", + " ):\n", + " with open('Droplets.jl-' + path.replace('/','-'), 'w', encoding='utf-8') as fout:\n", + " with urllib.request.urlopen(BASE_URL + path) as fin:\n", + " fout.write(fin.read().decode('utf-8'))\n", + " \n", + " code_to_write = \"\"\"\n", + " using Pkg\n", + " Pkg.add([\"Combinatorics\", \"Distributions\", \"Random\",\"JSON\",\"Interpolations\"])\n", + " using Random,Combinatorics,Distributions\n", + " include(\"Droplets.jl-src-SDfunc-constants.jl\")\n", + " include(\"Droplets.jl-src-SDfunc-coalescence.jl\")\n", + " include(\"Droplets.jl-src-SDfunc-binning.jl\")\n", + " using JSON\n", + " \n", + " FT = Float64\n", + " setup = JSON.parsefile(\"./setup.json\")\n", + "\n", + " coagsetting_args = (\n", + " Ns = Int(setup[\"N_PART\"]),\n", + " Δt = setup[\"DT_SEC\"],\n", + " ΔV = setup[\"VOLUME_M3\"],\n", + " golovin_kernel_coeff = FT(setup[\"ADDITIVE_KERNEL_COEFF\"]),\n", + " n0 = FT(setup[\"NUM_CONC_PER_M3\"]),\n", + " R0 = FT(setup[\"DIAM_AT_MEAN_VOL_M\"]) / 2\n", + " )\n", + "\n", + " runsetting_args = (\n", + " num_bins = Int(setup[\"N_BINS\"]),\n", + " radius_bins_edges = setup[\"RADIUS_BIN_EDGES_M\"],\n", + " smooth = false,\n", + " output_steps = collect(0:setup[\"PLOT_TIME_STEP_SEC\"]:setup[\"T_MAX_SEC\"]),\n", + " scheme = none(), # Adaptive() not used\n", + " init_method = init_logarithmic\n", + " )\n", + "\n", + " coagsettings = coag_settings{FT}(;coagsetting_args...)\n", + " runsettings =run_settings{FT}(;runsetting_args...,binning_method = none())\n", + " numdens_set =run_settings{FT}(;runsetting_args...,binning_method = number_density)\n", + " massdens_set =run_settings{FT}(;runsetting_args...,binning_method = mass_density_lnr)\n", + "\n", + "\n", + " droplets = runsettings.init_method(coagsettings)\n", + " num_dens_bin::Matrix{FT} = zeros(FT, runsettings.num_bins, length(runsettings.output_steps))\n", + " mass_dens_bin::Matrix{FT} = zeros(FT, runsettings.num_bins, length(runsettings.output_steps))\n", + "\n", + " coag_data = coagulation_run{FT}(coagsettings.Ns)\n", + " for i in 1:length(runsettings.output_steps)\n", + " if i !=1\n", + " timestepper = (runsettings.output_steps[i]-runsettings.output_steps[i-1])/coagsettings.Δt\n", + " for _ in 1:timestepper\n", + " coalescence_timestep!(Serial(),runsettings.scheme,droplets,coag_data,coagsettings)\n", + " end\n", + " end\n", + " num_dens_bin[:,i] = binning_func(droplets,runsettings.output_steps[i],numdens_set,coagsettings)\n", + " mass_dens_bin[:,i] = binning_func(droplets,runsettings.output_steps[i],massdens_set,coagsettings)\n", + " end\n", + "\n", + " dict = Dict()\n", + " dict[\"Number Concentration (#/m^3/unit ln R)\"] = num_dens_bin\n", + " dict[\"Mass Density (kg/m^3/unit ln R)\"] = mass_dens_bin\n", + " json_string = JSON.json(dict)\n", + "\n", + " open(\"output.json\", \"w\") do file\n", + " write(file, json_string)\n", + " end\n", + " \"\"\"\n", + "\n", + " with open('script.jl', 'w', encoding='utf-8') as file:\n", + " file.write(code_to_write)\n", + "\n", + " super().__init__(SETTINGS)\n", + " \n", + " def __call__(self):\n", + " subprocess.run([\"julia\", \"--quiet\", \"script.jl\"], check=True)\n", + " with open('output.json', 'r', encoding='utf8') as file:\n", + " Droplets = json.load(file)\n", + " return Droplets" + ] + }, + { + "cell_type": "code", + "execution_count": 85, + "id": "88961c94", + "metadata": {}, + "outputs": [], + "source": [ + "class DustPy(Run):\n", + " def __init__(self,settings):\n", + " super().__init__(settings)\n", + " from dustpy import Simulation\n", + " #DUSTPY USES CGS UNITS AND COLUMN AVERAGE DENSITIES, INPUT AND OUTPUT ARE SI\n", + " cm = 1.e2\n", + " g_per_cm3 = 1.\n", + "\n", + " m0 = 4/3 * np.pi * ((settings.DIAM_AT_MEAN_VOL_M*cm)/2)**3 * g_per_cm3 # ->cm, ->g\n", + " #kernel coefficient, changing to integrated column \n", + " self.a = settings.ADDITIVE_KERNEL_COEFF/(settings.VOLUME_M3*m0*settings.NUM_CONC_PER_M3/cm**2)\n", + " \n", + " #Initialize\n", + " sim = Simulation()\n", + " sim.ini.grid.Nr = 3\n", + " numberpermassdecade = 100\n", + " sim.ini.grid.Nmbpd = numberpermassdecade\n", + " sim.ini.grid.mmin = 4/3 * np.pi * (settings.RADIUS_BIN_EDGES_M[0]*1e2)**3 *g_per_cm3#m0 \n", + " sim.ini.grid.mmax = 4/3 * np.pi * (settings.RADIUS_BIN_EDGES_M[-1]*1e2)**3 *g_per_cm3 # ->cm,g\n", + " sim.ini.dust.allowDriftingParticles = True\n", + " sim.initialize()\n", + "\n", + " sim.dust.SigmaFloor[1, ...] = 0.\n", + " #These are water droplets, not planet dust!\n", + " sim.dust.rhos = g_per_cm3\n", + "\n", + " #Only Coagulation\n", + " del(sim.integrator.instructions[1])\n", + " # Turning off gas source to not influence the time stepping\n", + " sim.gas.S.tot[...] = 0.\n", + " sim.gas.S.tot.updater = None\n", + " # Turning off dust advection\n", + " sim.dust.v.rad[...] = 0.\n", + " sim.dust.v.rad.updater = None\n", + " # Turning off fragmentation. Only sticking is considered\n", + " sim.dust.p.frag[...] = 0.\n", + " sim.dust.p.frag.updater = None\n", + " sim.dust.p.stick[...] = 1.\n", + " sim.dust.p.stick.updater = None\n", + " # Setting the constant kernel\n", + " sim.dust.kernel[...] = self.a * (sim.grid.m[:, None] + sim.grid.m[None, :])[None, ...]\n", + " sim.dust.kernel.updater = None\n", + " # Setting the initial dust surface density\n", + " sim.dust.Sigma[...] = sim.dust.SigmaFloor[...]\n", + "\n", + " m = sim.grid.m\n", + " A = np.mean(m[1:]/m[:-1])\n", + " B = 2 * (A-1) / (A+1)\n", + " sim.t = 1\n", + " #Exponential Distribution\n", + " sim.dust.Sigma[1, ...] = np.exp(-m/m0)/m0 *(B*m)*m*(settings.NUM_CONC_PER_M3/cm**2) #cm-2\n", + "\n", + " # Updating the simulation object\n", + " sim.update()\n", + "\n", + " plot_times = np.linspace(\n", + " start=settings.PLOT_TIME_STEP_SEC, stop=settings.T_MAX_SEC,\n", + " num=settings.N_PLOT_STEPS\n", + " )\n", + " snapshots = np.hstack(\n", + " [sim.t, plot_times]\n", + " )\n", + " sim.t.snapshots = snapshots\n", + " sim.writer.datadir = \"dustpy_\"\n", + " sim.writer.overwrite = True\n", + "\n", + " #for use during __call\n", + " self.sim = sim\n", + " self.settings = settings\n", + "\n", + "\n", + " def __call__(self):\n", + "\n", + " out = {'Number Concentration (#/m^3/unit ln R)':{}, 'Mass Density (kg/m^3/unit ln R)':{}}\n", + " #Conversions from cgs to si\n", + " kg = 1e-3\n", + " meter = 1e-2\n", + "\n", + " #run Simulation \n", + " self.sim.run()\n", + "\n", + " SigmaLinearHighRes = self.sim.writer.read.sequence(\"dust.Sigma\")*kg/meter**2 #only 2 because cm2\n", + " mHighRes = self.sim.writer.read.sequence(\"grid.m\")*kg\n", + " aHighRes = self.sim.writer.read.sequence(\"dust.a\")[0,1,:]*meter\n", + "\n", + " for step in range(self.settings.N_PLOT_STEPS+1):\n", + " mass_density = np.full(self.settings.N_BINS, fill_value=0.)\n", + " number_density = np.full(self.settings.N_BINS, fill_value=0.)\n", + " \n", + " # bin data to settings.RADIUS_BIN_EDGES_M\n", + " k = 0\n", + " for i in range(len(aHighRes)):\n", + " for j in range(k,len(self.settings.RADIUS_BIN_EDGES_M)-1):\n", + " print(aHighRes[i], self.settings.RADIUS_BIN_EDGES_M[j])\n", + " if self.settings.RADIUS_BIN_EDGES_M[j] <= aHighRes[i] < self.settings.RADIUS_BIN_EDGES_M[j + 1]:\n", + " mass_density[j] += SigmaLinearHighRes[step, 1, i]\n", + " number_density[j] += SigmaLinearHighRes[step, 1, i]/mHighRes[1, i]\n", + " k = j\n", + " break\n", + " dlnr = np.log(self.settings.RADIUS_BIN_EDGES_M[1:])-np.log(self.settings.RADIUS_BIN_EDGES_M[:-1])\n", + "\n", + " out['Mass Density (kg/m^3/unit ln R)'][step] = mass_density/dlnr\n", + " out['Number Concentration (#/m^3/unit ln R)'][step] = number_density/dlnr\n", + "\n", + " return out" + ] + }, + { + "cell_type": "code", + "execution_count": 86, + "id": "b33d3ccb", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Instantiating AnalyticalSoln\n", + "Instantiating RunPartMC\n", + "Instantiating RunPySDM\n", + "Instantiating DustPy\n" + ] + }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/PySDM/backends/numba.py:47: UserWarning: Disabling Numba threading due to ARM64 CPU (atomics do not work yet)\n", + " warnings.warn(\n" + ] + }, + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Instantiating NewModelRun\n", + "Instantiating RunDropletsJL\n", + "Running analytical...\n", + "Running PartMC...\n", + "Running PySDM...\n", + "Running DustPy...\n", + "\n", + "DustPy v1.0.6\n", + "\n", + "Documentation: https://stammler.github.io/dustpy/\n", + "PyPI: https://pypi.org/project/dustpy/\n", + "GitHub: https://github.com/stammler/dustpy/\n", + "\u001b[94m\n", + "Please cite Stammler & Birnstiel (2022).\u001b[0m\n", + "\n", + "\u001b[93mChecking for mass conservation...\n", + "\u001b[0m\n", + "\u001b[93m - Sticking:\u001b[0m\n", + "\u001b[0m max. rel. error: \u001b[91m 1.21e-13\u001b[0m\n", + " for particle collision\n", + " m[52] = 1.23e-08 g with\n", + " m[235] = 5.45e-07 g\u001b[0m\n", + "\u001b[93m - Full fragmentation:\u001b[0m\n", + "\u001b[0m max. rel. error: \u001b[92m 3.22e-15\u001b[0m\n", + " for particle collision\n", + " m[761] = 2.94e-02 g with\n", + " m[797] = 6.20e-02 g\u001b[0m\n", + "\u001b[93m - Erosion:\u001b[0m\n", + "\u001b[0m max. rel. error: \u001b[92m 3.00e-15\u001b[0m\n", + " for particle collision\n", + " m[744] = 2.07e-02 g with\n", + " m[900] = 5.24e-01 g\n", + "\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0000.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0001.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0002.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0003.hdf5\u001b[0m\n", + "Writing 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0.004763040794538355\n", + "0.004999999999999999 0.004763040794538355\n", + "Running ...\n", + "Running Droplets.jl...\n" + ] + }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + " Resolving package versions...\n", + " No Changes to `~/.julia/environments/v1.11/Project.toml`\n", + " No Changes to `~/.julia/environments/v1.11/Manifest.toml`\n", + "Precompiling project...\n", + " ✗ KinematicDriver\n", + " 0 dependencies successfully precompiled in 12 seconds. 573 already precompiled.\n", + "\n", + "The following 1 direct dependency failed to precompile:\n", + "\n", + "KinematicDriver \n", + "\n", + "Failed to precompile KinematicDriver [83200819-b45f-4027-aa6a-8223b29c73a7] to \"/Users/emmaware/.julia/compiled/v1.11/KinematicDriver/jl_IgYSXd\".\n", + "ERROR: LoadError: UndefVarError: `Observations` not defined in `EnsembleKalmanProcesses`\n", + "Suggestion: check for spelling errors or missing imports.\n", + "Stacktrace:\n", + " [1] include(mod::Module, _path::String)\n", + " @ Base ./Base.jl:557\n", + " [2] include(x::String)\n", + " @ KinematicDriver ~/.julia/packages/KinematicDriver/f0yAO/src/KinematicDriver.jl:1\n", + " [3] top-level scope\n", + " @ ~/.julia/packages/KinematicDriver/f0yAO/src/KinematicDriver.jl:8\n", + " [4] include\n", + " @ ./Base.jl:557 [inlined]\n", + " [5] include_package_for_output(pkg::Base.PkgId, input::String, depot_path::Vector{String}, dl_load_path::Vector{String}, load_path::Vector{String}, concrete_deps::Vector{Pair{Base.PkgId, UInt128}}, source::Nothing)\n", + " @ Base ./loading.jl:2881\n", + " [6] top-level scope\n", + " @ stdin:6\n", + "in expression starting at /Users/emmaware/.julia/packages/KinematicDriver/f0yAO/src/CalibrateCMP/CalibrateCMP.jl:1\n", + "in expression starting at /Users/emmaware/.julia/packages/KinematicDriver/f0yAO/src/KinematicDriver.jl:1\n", + "in expression starting at stdin:" + ] + } + ], + "source": [ + "models = {\n", + " # Create instances of the models with common setup\n", + " 'analytical': AnalyticalSoln(SETTINGS),\n", + " 'PartMC': RunPartMC(SETTINGS),\n", + " 'PySDM': RunPySDM(SETTINGS),\n", + " 'DustPy': DustPy(SETTINGS),\n", + " '': NewModelRun(SETTINGS) #NEW_MODEL\n", + "}\n", + "if shutil.which('julia') is not None: # pylint: disable=undefined-variable\n", + " models['Droplets.jl'] = RunDropletsJL(SETTINGS)\n", + "output = {k: print(f\"Running {k}...\") or model() for k, model in models.items()}" + ] + }, + { + "cell_type": "code", + "execution_count": 87, + "id": "6cc84269", + "metadata": {}, + "outputs": [ + { + "data": { + "text/html": [ + "" + ], + "text/plain": [ + "" + ] + }, + "metadata": {}, + "output_type": "display_data" + }, + { + "data": { + "application/vnd.jupyter.widget-view+json": { + "model_id": "75e68b8efbf7477e986bec6419ccf243", + "version_major": 2, + "version_minor": 0 + }, + "text/plain": [ + "HTML(value=\"./tmpqwnpu200.gif
\")" + ] + }, + "metadata": {}, + "output_type": "display_data" + }, + { + "data": { + "text/html": [ + "" + ], + "text/plain": [ + "" + ] + }, + "metadata": {}, + "output_type": "display_data" + }, + { + "data": { + "application/vnd.jupyter.widget-view+json": { + "model_id": "ce452cac364046b895f029dedfa29d3d", + "version_major": 2, + "version_minor": 0 + }, + "text/plain": [ + "HTML(value=\"./tmpcw15fpzp.gif
\")" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "t_steps = np.divide(\n", + " np.array(range(0, int(SETTINGS.T_MAX_SEC+1), 1200)),\n", + " SETTINGS.PLOT_TIME_STEP_SEC\n", + ").astype(int)\n", + "radius_bins = np.array(models['PartMC'].rad_grid.centers)\n", + "kilograms_to_grams = 1e3\n", + "\n", + "\n", + "markers = {\n", + " 'PartMC':'o', \n", + " 'PySDM':'x',\n", + " 'Droplets.jl':'^',\n", + " 'DustPy':'s',\n", + " '':'s' #NEW_MODEL\n", + "} \n", + "\n", + "# use open_atmos_jupyter_utils to create comparison animation\n", + "class AnimFunc:\n", + " def __init__(self, binning_method):\n", + " self.binning_method = binning_method\n", + "\n", + " def __call__(self, frame):\n", + " if self.binning_method == 'Mass Density (kg/m^3/unit ln R)':\n", + " unit_adjustment = kilograms_to_grams\n", + " else:\n", + " unit_adjustment = 1\n", + "\n", + " if frame > SETTINGS.T_MAX_SEC/SETTINGS.PLOT_TIME_STEP_SEC:\n", + " frame = int(SETTINGS.T_MAX_SEC/SETTINGS.PLOT_TIME_STEP_SEC)\n", + "\n", + " t = list(range(0, int((frame+1)*SETTINGS.PLOT_TIME_STEP_SEC), 1200))\n", + "\n", + " def plot(step, color_analytic, color_monte_carlo, label=False):\n", + " for key in models:\n", + " xy = radius_bins, np.array(output[key][self.binning_method][step])*unit_adjustment\n", + " if key == 'analytical':\n", + " plt.plot(*xy, color=color_analytic, label=key if label else None)\n", + " else:\n", + " plt.plot(*xy, markers[key], ms=3, color=color_monte_carlo, \n", + " label=key if label else None)\n", + "\n", + " for t_sec in t:\n", + " tstep = int(t_sec/SETTINGS.PLOT_TIME_STEP_SEC)\n", + " idx = np.argmax(output['analytical'][self.binning_method][tstep])\n", + " text_height = 1.05*max(output['analytical'][self.binning_method][tstep])\n", + " plt.text(radius_bins[idx], text_height*unit_adjustment, \n", + " f't = {t_sec/60} min', fontsize=8)\n", + " plot(tstep, 'darkgrey', 'darkgrey')\n", + " plot(frame, 'black', None, label=True)\n", + " \n", + " plt.xscale(\"log\")\n", + " plt.xlabel(\"Radius (m)\")\n", + " plt.ylabel(self.binning_method.replace('^3', '$^3$').replace('kg','g'))\n", + " if self.binning_method != 'Number Concentration (#/m^3/unit ln R)':\n", + " plt.ylim([0,2])\n", + " plt.xlim([SETTINGS.RADIUS_BIN_EDGES_M[0],SETTINGS.RADIUS_BIN_EDGES_M[-1]])\n", + " plt.legend(loc='upper right')#, bbox_to_anchor=(1, 0.5))\n", + " plt.title(\"Time Evolution of Particle Size Distribution, t = \"\n", + " +f\"{frame*SETTINGS.PLOT_TIME_STEP_SEC//60:02d} min\")\n", + " return plt.gcf()\n", + "\n", + "for spectrum_type in output['analytical']:\n", + " show_anim(\n", + " plot_func=AnimFunc(spectrum_type),\n", + " frame_range=range(0, SETTINGS.N_PLOT_STEPS+20, 1),\n", + " )" + ] + }, + { + "cell_type": "code", + "execution_count": 88, + "id": "0eaf456b", + "metadata": {}, + "outputs": [], + "source": [ + "# sanity check for conservation of mass\n", + "\n", + "for model in output:\n", + " if model == '':\n", + " continue\n", + " mass_spec = output[model]['Mass Density (kg/m^3/unit ln R)']\n", + " for output_step in range(SETTINGS.N_PLOT_STEPS+1):\n", + " np.testing.assert_approx_equal(\n", + " desired=1e-3, # kilograms\n", + " actual=np.dot(\n", + " mass_spec[output_step],\n", + " np.log(SETTINGS.RADIUS_BIN_EDGES_M[1:]) - np.log(SETTINGS.RADIUS_BIN_EDGES_M[:-1])\n", + " ),\n", + " significant=1.75\n", + " )\n" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.9.12" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} From a894560512ca0fd2c3dad85c66390bfb00982f33 Mon Sep 17 00:00:00 2001 From: emmacware Date: Thu, 3 Apr 2025 11:55:22 +0200 Subject: [PATCH 2/6] dustpy v8 compatible --- examples/additive_coag_comparison.ipynb | 59067 ++++++++++++---------- 1 file changed, 32298 insertions(+), 26769 deletions(-) diff --git a/examples/additive_coag_comparison.ipynb b/examples/additive_coag_comparison.ipynb index a2649036..f205f619 100644 --- a/examples/additive_coag_comparison.ipynb +++ b/examples/additive_coag_comparison.ipynb @@ -12,7 +12,7 @@ }, { "cell_type": "code", - "execution_count": 75, + "execution_count": 46, "id": "159edeb4", "metadata": {}, "outputs": [], @@ -27,7 +27,7 @@ }, { "cell_type": "code", - "execution_count": 76, + "execution_count": 47, "id": "749c1483", "metadata": {}, "outputs": [], @@ -51,7 +51,7 @@ }, { "cell_type": "code", - "execution_count": 77, + "execution_count": 48, "id": "4f8359c2", "metadata": {}, "outputs": [], @@ -73,7 +73,29 @@ }, { "cell_type": "code", - "execution_count": 78, + "execution_count": 49, + "id": "cbec1c21", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "'1.0.8'" + ] + }, + "execution_count": 49, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "import dustpy\n", + "dustpy.__version__" + ] + }, + { + "cell_type": "code", + "execution_count": 50, "id": "b494ea6e", "metadata": {}, "outputs": [], @@ -91,7 +113,7 @@ }, { "cell_type": "code", - "execution_count": 79, + "execution_count": 51, "id": "03708307", "metadata": {}, "outputs": [], @@ -108,7 +130,7 @@ " # Plotting parameters\n", " 'T_MAX_SEC': 3600,\n", " 'PLOT_TIME_STEP_SEC': 120,\n", - " 'RADIUS_BIN_EDGES_M': list(np.logspace(np.log10(1e-5), np.log10(5e-3), num=129, endpoint=True))\n", + " 'RADIUS_BIN_EDGES_M': list(np.logspace(np.log10(1e-5), np.log10(5e-3), num=100, endpoint=True))\n", "}\n", "\n", "# Derived parameters\n", @@ -132,7 +154,7 @@ }, { "cell_type": "code", - "execution_count": 80, + "execution_count": 52, "id": "9272286c", "metadata": {}, "outputs": [], @@ -172,47 +194,12 @@ " pass\n", " out['Number Concentration (#/m^3/unit ln R)'][step] = number_density\n", "\n", - " return out# Format for a new model run, search NEW_MODEL for lines to change\n", - "# pylint: disable=unnecessary-pass\n", - "class NewModelRun(Run):\n", - " def __init__(self,settings):\n", - " super().__init__(settings)\n", - " # Import model packages here instead of at the top of the notebook\n", - " # import newmodel as nm\n", - "\n", - " # use the settings dictionary to set up the model parameters\n", - " self.settings = settings\n", - " self.bin_data = np.full(self.settings.N_BINS, fill_value=np.nan)\n", - "\n", - " def __call__(self):\n", - " # Run the model here\n", - " # Output should be a dictionary with the following spectra:\n", - " out = {'Number Concentration (#/m^3/unit ln R)':{}, 'Mass Density (kg/m^3/unit ln R)':{}}\n", - "\n", - " # Use the settings dictionary to output common results \n", - " pass\n", - "\n", - " # Example run\n", - " for step in range(self.settings.N_PLOT_STEPS+1):\n", - " if step != 0:\n", - " # Run model until next output time (step)\n", - " pass\n", - "\n", - " # Calculate and save mass density and number concentration\n", - " mass_density = self.bin_data.copy() #kilograms of water per m^3 per dlnr\n", - " pass\n", - " out['Mass Density (kg/m^3/unit ln R)'][step] = mass_density\n", - "\n", - " number_density = self.bin_data.copy() #number of water droplets per m^3\n", - " pass\n", - " out['Number Concentration (#/m^3/unit ln R)'][step] = number_density\n", - "\n", " return out" ] }, { "cell_type": "code", - "execution_count": 81, + "execution_count": 53, "id": "092168b8", "metadata": {}, "outputs": [], @@ -279,7 +266,7 @@ }, { "cell_type": "code", - "execution_count": 82, + "execution_count": 54, "id": "29491329", "metadata": {}, "outputs": [], @@ -351,7 +338,7 @@ }, { "cell_type": "code", - "execution_count": 83, + "execution_count": 55, "id": "80e1dcdd", "metadata": {}, "outputs": [], @@ -497,7 +484,7 @@ }, { "cell_type": "code", - "execution_count": 84, + "execution_count": 56, "id": "f7d54f29", "metadata": {}, "outputs": [], @@ -590,7 +577,7 @@ }, { "cell_type": "code", - "execution_count": 85, + "execution_count": 57, "id": "88961c94", "metadata": {}, "outputs": [], @@ -610,7 +597,7 @@ " #Initialize\n", " sim = Simulation()\n", " sim.ini.grid.Nr = 3\n", - " numberpermassdecade = 100\n", + " numberpermassdecade = 120\n", " sim.ini.grid.Nmbpd = numberpermassdecade\n", " sim.ini.grid.mmin = 4/3 * np.pi * (settings.RADIUS_BIN_EDGES_M[0]*1e2)**3 *g_per_cm3#m0 \n", " sim.ini.grid.mmax = 4/3 * np.pi * (settings.RADIUS_BIN_EDGES_M[-1]*1e2)**3 *g_per_cm3 # ->cm,g\n", @@ -704,7 +691,7 @@ }, { "cell_type": "code", - "execution_count": 86, + "execution_count": 58, "id": "b33d3ccb", "metadata": {}, "outputs": [ @@ -731,13 +718,12 @@ "output_type": "stream", "text": [ "Instantiating NewModelRun\n", - "Instantiating RunDropletsJL\n", "Running analytical...\n", "Running PartMC...\n", "Running PySDM...\n", "Running DustPy...\n", "\n", - "DustPy v1.0.6\n", + "DustPy v1.0.8\n", "\n", "Documentation: https://stammler.github.io/dustpy/\n", "PyPI: https://pypi.org/project/dustpy/\n", @@ -748,20 +734,20 @@ "\u001b[93mChecking for mass conservation...\n", "\u001b[0m\n", "\u001b[93m - Sticking:\u001b[0m\n", - "\u001b[0m max. rel. error: \u001b[91m 1.21e-13\u001b[0m\n", + "\u001b[0m max. rel. error: \u001b[91m 2.10e-13\u001b[0m\n", " for particle collision\n", - " m[52] = 1.23e-08 g with\n", - " m[235] = 5.45e-07 g\u001b[0m\n", + " m[839] = 8.17e-03 g with\n", + " m[1068] = 4.26e-01 g\u001b[0m\n", "\u001b[93m - Full fragmentation:\u001b[0m\n", - "\u001b[0m max. rel. error: \u001b[92m 3.22e-15\u001b[0m\n", + "\u001b[0m max. rel. error: \u001b[92m 2.66e-15\u001b[0m\n", " for particle collision\n", - " m[761] = 2.94e-02 g with\n", - " m[797] = 6.20e-02 g\u001b[0m\n", + " m[467] = 1.33e-05 g with\n", + " m[572] = 8.14e-05 g\u001b[0m\n", "\u001b[93m - Erosion:\u001b[0m\n", - "\u001b[0m max. rel. error: \u001b[92m 3.00e-15\u001b[0m\n", + "\u001b[0m max. rel. error: \u001b[92m 2.89e-15\u001b[0m\n", " for particle collision\n", - " m[744] = 2.07e-02 g with\n", - " m[900] = 5.24e-01 g\n", + " m[842] = 8.60e-03 g with\n", + " m[1080] = 5.24e-01 g\n", "\u001b[0m\n", "Writing file \u001b[94mdustpy_/data0000.hdf5\u001b[0m\n", "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", @@ -825,31913 +811,37456 @@ "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", "Writing file \u001b[94mdustpy_/data0030.hdf5\u001b[0m\n", "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", - "Execution time: \u001b[94m0:00:37\u001b[0m\n", + "Execution time: \u001b[94m0:00:49\u001b[0m\n", "1.0000000000000008e-05 1e-05\n", - "1.0069290154195532e-05 1e-05\n", - "1.0139060420937915e-05 1e-05\n", - "1.0209314126934371e-05 1e-05\n", - "1.0280054621942953e-05 1e-05\n", + "1.0057708543519774e-05 1e-05\n", + "1.0115750114639047e-05 1e-05\n", + "1.0174126635211624e-05 1e-05\n", + "1.0232840038181986e-05 1e-05\n", + "1.0291892267649411e-05 1e-05\n", "1.035128527893224e-05 1e-05\n", - 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"Running ...\n", - "Running Droplets.jl...\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - " Resolving package versions...\n", - " No Changes to `~/.julia/environments/v1.11/Project.toml`\n", - " No Changes to `~/.julia/environments/v1.11/Manifest.toml`\n", - "Precompiling project...\n", - " ✗ KinematicDriver\n", - " 0 dependencies successfully precompiled in 12 seconds. 573 already precompiled.\n", - "\n", - "The following 1 direct dependency failed to precompile:\n", - "\n", - "KinematicDriver \n", - "\n", - "Failed to precompile KinematicDriver [83200819-b45f-4027-aa6a-8223b29c73a7] to \"/Users/emmaware/.julia/compiled/v1.11/KinematicDriver/jl_IgYSXd\".\n", - "ERROR: LoadError: UndefVarError: `Observations` not defined in `EnsembleKalmanProcesses`\n", - "Suggestion: check for spelling errors or missing imports.\n", - "Stacktrace:\n", - " [1] include(mod::Module, _path::String)\n", - " @ Base ./Base.jl:557\n", - " [2] include(x::String)\n", - " @ KinematicDriver ~/.julia/packages/KinematicDriver/f0yAO/src/KinematicDriver.jl:1\n", - " [3] top-level scope\n", - " @ ~/.julia/packages/KinematicDriver/f0yAO/src/KinematicDriver.jl:8\n", - " [4] include\n", - " @ ./Base.jl:557 [inlined]\n", - " [5] include_package_for_output(pkg::Base.PkgId, input::String, depot_path::Vector{String}, dl_load_path::Vector{String}, load_path::Vector{String}, concrete_deps::Vector{Pair{Base.PkgId, UInt128}}, source::Nothing)\n", - " @ Base ./loading.jl:2881\n", - " [6] top-level scope\n", - " @ stdin:6\n", - "in expression starting at /Users/emmaware/.julia/packages/KinematicDriver/f0yAO/src/CalibrateCMP/CalibrateCMP.jl:1\n", - "in expression starting at /Users/emmaware/.julia/packages/KinematicDriver/f0yAO/src/KinematicDriver.jl:1\n", - "in expression starting at stdin:" + "Running ...\n" ] } ], @@ -32744,21 +38273,21 @@ " 'DustPy': DustPy(SETTINGS),\n", " '': NewModelRun(SETTINGS) #NEW_MODEL\n", "}\n", - "if shutil.which('julia') is not None: # pylint: disable=undefined-variable\n", - " models['Droplets.jl'] = RunDropletsJL(SETTINGS)\n", + "# if shutil.which('julia') is not None: # pylint: disable=undefined-variable\n", + " # models['Droplets.jl'] = RunDropletsJL(SETTINGS)\n", "output = {k: print(f\"Running {k}...\") or model() for k, model in models.items()}" ] }, { "cell_type": "code", - "execution_count": 87, + "execution_count": 59, "id": "6cc84269", "metadata": {}, "outputs": [ { "data": { "text/html": [ - "" + "" ], "text/plain": [ "" @@ -32770,12 +38299,12 @@ { "data": { "application/vnd.jupyter.widget-view+json": { - "model_id": "75e68b8efbf7477e986bec6419ccf243", + "model_id": "99aec71e64b7487c8407e0ee895275a5", "version_major": 2, "version_minor": 0 }, "text/plain": [ - "HTML(value=\"./tmpqwnpu200.gif
\")" + "HTML(value=\"./tmpicvfm2vy.gif
\")" ] }, "metadata": {}, @@ -32784,7 +38313,7 @@ { "data": { "text/html": [ - "" + "" ], "text/plain": [ "" @@ -32796,12 +38325,12 @@ { "data": { "application/vnd.jupyter.widget-view+json": { - "model_id": "ce452cac364046b895f029dedfa29d3d", + "model_id": "6dae1c266632428799f8ade2d5305a34", "version_major": 2, "version_minor": 0 }, "text/plain": [ - "HTML(value=\"./tmpcw15fpzp.gif
\")" + "HTML(value=\"./tmpbtjcjb9h.gif
\")" ] }, "metadata": {}, @@ -32879,7 +38408,7 @@ }, { "cell_type": "code", - "execution_count": 88, + "execution_count": 60, "id": "0eaf456b", "metadata": {}, "outputs": [], From 046b6168243db8eb96de68dea0d24de5027f6cad Mon Sep 17 00:00:00 2001 From: emmacware Date: Thu, 10 Apr 2025 15:32:02 +0200 Subject: [PATCH 3/6] include dustpy for ci examples --- setup.py | 1 + 1 file changed, 1 insertion(+) diff --git a/setup.py b/setup.py index 5a23d98b..5d620837 100644 --- a/setup.py +++ b/setup.py @@ -162,6 +162,7 @@ def build_extension(self, ext): # pylint: disable=too-many-branches "PySDM", "PyMieScatt", "SciPy", + "dustpy", ], }, ) From d711f92bba6ba885780b8523bf8fdf05d247cc13 Mon Sep 17 00:00:00 2001 From: emmacware Date: Thu, 10 Apr 2025 16:01:23 +0200 Subject: [PATCH 4/6] make pylint happy --- examples/additive_coag_comparison.ipynb | 46 ++++++++----------------- 1 file changed, 15 insertions(+), 31 deletions(-) diff --git a/examples/additive_coag_comparison.ipynb b/examples/additive_coag_comparison.ipynb index f205f619..101a12b5 100644 --- a/examples/additive_coag_comparison.ipynb +++ b/examples/additive_coag_comparison.ipynb @@ -71,28 +71,6 @@ " rm /tmp/julia.tar.gz; \\\n" ] }, - { - "cell_type": "code", - "execution_count": 49, - "id": "cbec1c21", - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "'1.0.8'" - ] - }, - "execution_count": 49, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "import dustpy\n", - "dustpy.__version__" - ] - }, { "cell_type": "code", "execution_count": 50, @@ -592,15 +570,18 @@ "\n", " m0 = 4/3 * np.pi * ((settings.DIAM_AT_MEAN_VOL_M*cm)/2)**3 * g_per_cm3 # ->cm, ->g\n", " #kernel coefficient, changing to integrated column \n", - " self.a = settings.ADDITIVE_KERNEL_COEFF/(settings.VOLUME_M3*m0*settings.NUM_CONC_PER_M3/cm**2)\n", + " self.a = settings.ADDITIVE_KERNEL_COEFF/(\n", + " settings.VOLUME_M3*m0*settings.NUM_CONC_PER_M3/cm**2)\n", " \n", " #Initialize\n", " sim = Simulation()\n", " sim.ini.grid.Nr = 3\n", " numberpermassdecade = 120\n", " sim.ini.grid.Nmbpd = numberpermassdecade\n", - " sim.ini.grid.mmin = 4/3 * np.pi * (settings.RADIUS_BIN_EDGES_M[0]*1e2)**3 *g_per_cm3#m0 \n", - " sim.ini.grid.mmax = 4/3 * np.pi * (settings.RADIUS_BIN_EDGES_M[-1]*1e2)**3 *g_per_cm3 # ->cm,g\n", + " sim.ini.grid.mmin = 4/3 * np.pi * (\n", + " settings.RADIUS_BIN_EDGES_M[0]*1e2)**3 *g_per_cm3#m0 \n", + " sim.ini.grid.mmax = 4/3 * np.pi * (\n", + " settings.RADIUS_BIN_EDGES_M[-1]*1e2)**3 *g_per_cm3 # ->cm,g\n", " sim.ini.dust.allowDriftingParticles = True\n", " sim.initialize()\n", "\n", @@ -609,7 +590,7 @@ " sim.dust.rhos = g_per_cm3\n", "\n", " #Only Coagulation\n", - " del(sim.integrator.instructions[1])\n", + " del sim.integrator.instructions[1]\n", " # Turning off gas source to not influence the time stepping\n", " sim.gas.S.tot[...] = 0.\n", " sim.gas.S.tot.updater = None\n", @@ -632,6 +613,7 @@ " B = 2 * (A-1) / (A+1)\n", " sim.t = 1\n", " #Exponential Distribution\n", + " # pylint: disable=invalid-unary-operand-type\n", " sim.dust.Sigma[1, ...] = np.exp(-m/m0)/m0 *(B*m)*m*(settings.NUM_CONC_PER_M3/cm**2) #cm-2\n", "\n", " # Updating the simulation object\n", @@ -663,7 +645,8 @@ " #run Simulation \n", " self.sim.run()\n", "\n", - " SigmaLinearHighRes = self.sim.writer.read.sequence(\"dust.Sigma\")*kg/meter**2 #only 2 because cm2\n", + " SigmaLinearHighRes = self.sim.writer.read.sequence(\n", + " \"dust.Sigma\")*kg/meter**2 #only 2 because cm2\n", " mHighRes = self.sim.writer.read.sequence(\"grid.m\")*kg\n", " aHighRes = self.sim.writer.read.sequence(\"dust.a\")[0,1,:]*meter\n", "\n", @@ -673,15 +656,16 @@ " \n", " # bin data to settings.RADIUS_BIN_EDGES_M\n", " k = 0\n", - " for i in range(len(aHighRes)):\n", + " for i,radius in enumerate(aHighRes):\n", " for j in range(k,len(self.settings.RADIUS_BIN_EDGES_M)-1):\n", - " print(aHighRes[i], self.settings.RADIUS_BIN_EDGES_M[j])\n", - " if self.settings.RADIUS_BIN_EDGES_M[j] <= aHighRes[i] < self.settings.RADIUS_BIN_EDGES_M[j + 1]:\n", + " if self.settings.RADIUS_BIN_EDGES_M[j] <= radius < (\n", + " self.settings.RADIUS_BIN_EDGES_M[j + 1]):\n", " mass_density[j] += SigmaLinearHighRes[step, 1, i]\n", " number_density[j] += SigmaLinearHighRes[step, 1, i]/mHighRes[1, i]\n", " k = j\n", " break\n", - " dlnr = np.log(self.settings.RADIUS_BIN_EDGES_M[1:])-np.log(self.settings.RADIUS_BIN_EDGES_M[:-1])\n", + " dlnr = np.log(self.settings.RADIUS_BIN_EDGES_M[1:])-np.log(\n", + " self.settings.RADIUS_BIN_EDGES_M[:-1])\n", "\n", " out['Mass Density (kg/m^3/unit ln R)'][step] = mass_density/dlnr\n", " out['Number Concentration (#/m^3/unit ln R)'][step] = number_density/dlnr\n", From 42eb1b77e7a6f1a8c9fe9f6961692f367945ded1 Mon Sep 17 00:00:00 2001 From: emmacware Date: Mon, 14 Apr 2025 11:42:55 +0200 Subject: [PATCH 5/6] include parameter warnings changes --- examples/additive_coag_comparison.ipynb | 39662 +--------------------- 1 file changed, 1246 insertions(+), 38416 deletions(-) diff --git a/examples/additive_coag_comparison.ipynb b/examples/additive_coag_comparison.ipynb index 101a12b5..f863e8bb 100644 --- a/examples/additive_coag_comparison.ipynb +++ b/examples/additive_coag_comparison.ipynb @@ -1,38439 +1,1269 @@ { - "cells": [ - { - "cell_type": "markdown", - "id": "1a90349d", - "metadata": {}, - "source": [ - "[![nbviewer](https://raw.githubusercontent.com/jupyter/design/master/logos/Badges/nbviewer_badge.svg)](https://nbviewer.jupyter.org/github/open-atmos/PyPartMC/blob/main/examples/additive_coag_comparison.ipynb) \n", - "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/open-atmos/PyPartMC/blob/main/examples/additive_coag_comparison.ipynb) \n", - "[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/open-atmos/PyPartMC.git/main?urlpath=lab/tree/examples/additive_coag_comparison.ipynb)" - ] - }, - { - "cell_type": "code", - "execution_count": 46, - "id": "159edeb4", - "metadata": {}, - "outputs": [], - "source": [ - "# This file is a part of PyPartMC licensed under the GNU General Public License v3\n", - "# Copyright (C) 2025 University of Illinois Urbana-Champaign\n", - "#\n", - "# PartMC Authors:\n", - "# - https://github.com/compdyn/partmc/graphs/contributors\n", - "# - https://github.com/open-atmos/PyPartMC/graphs/contributors" - ] - }, - { - "cell_type": "code", - "execution_count": 47, - "id": "749c1483", - "metadata": {}, - "outputs": [], - "source": [ - "# pylint: disable=too-few-public-methods, import-outside-toplevel, missing-class-docstring" - ] - }, - { - "cell_type": "markdown", - "id": "681810a3", - "metadata": {}, - "source": [ - "\n", - "This notebook aims to compare the results of three stochastic particle-based models using a coagulation only box model test case.\n", - "The models (PyPartMC, PySDM, and Droplets.jl) model the evolution of the droplet size distribution using the Golovin (additive) collision kernel [Golovin 1963](http://mi.mathnet.ru/dan27630). We have chosen this kernel because it has an analytical solution, also included in this notebook.\n", - "These settings reproduce Figure 2a in section 5.1.4 of [Shima et al. 2009](https://DOI.org/10.1002/qj.441) as a \"Hello World\" for droplet collisional growth.\n", - "[PySDM](https://open-atmos.github.io/PySDM/) and [Droplets.jl](https://github.com/emmacware/droplets.jl) use the Shima et al. 2009 coagulation scheme (Super-Droplet Method or SDM), and PyPartMC uses the Weighted Flow Algorithm (WFA) for droplet coagulation [DeVille et al. 2011](https://DOI.org/10.1016/j.jcp.2011.07.027) \n", - "\n", - "Another goal of this notebook is to provide a framework for additional model comparisons. The structure of the workflow in this notebook was created with this in mind. The model subclasses within the run class standardize the format of the common input and output, creating a format for new models to follow. Although all models represented currently are particle-based models, the format and settings should be generalizable to any method that handles coagulation growth of cloud droplets. An example workflow for models different languages is also included in the notebook with Droplets.jl, a native Julia model." - ] - }, - { - "cell_type": "code", - "execution_count": 48, - "id": "4f8359c2", - "metadata": {}, - "outputs": [], - "source": [ - "import sys\n", - "import shutil\n", - "\n", - "if \"google.colab\" in sys.modules:\n", - " !pip --quiet install open-atmos-jupyter-utils\n", - " from open_atmos_jupyter_utils import pip_install_on_colab\n", - " pip_install_on_colab('PyPartMC', 'PySDM','dustpy')\n", - " \n", - " # install julia if not in system\n", - " if shutil.which('julia') is None:\n", - " !wget -q https://julialang-s3.julialang.org/bin/linux/x64/1.11/julia-1.11.3-linux-x86_64.tar.gz -O /tmp/julia.tar.gz; \\\n", - " tar -x -f /tmp/julia.tar.gz -C /usr/local --strip-components 1; \\\n", - " rm /tmp/julia.tar.gz; \\\n" - ] - }, - { - "cell_type": "code", - "execution_count": 50, - "id": "b494ea6e", - "metadata": {}, - "outputs": [], - "source": [ - "from collections import namedtuple\n", - "from functools import partial\n", - "import urllib\n", - "import json\n", - "import subprocess\n", - "import numpy as np\n", - "import matplotlib.pyplot as plt\n", - "from open_atmos_jupyter_utils.show_anim import show_anim \n", - "# model-related imports have been moved to the specific model class cells" - ] - }, - { - "cell_type": "code", - "execution_count": 51, - "id": "03708307", - "metadata": {}, - "outputs": [], - "source": [ - "SETTINGS = {\n", - " # Physical parameters\n", - " 'N_PART': 2**16,\n", - " 'VOLUME_M3': 1e6,\n", - " 'DT_SEC': 1.,\n", - " 'NUM_CONC_PER_M3': 2**23,\n", - " 'DIAM_AT_MEAN_VOL_M': 2*30.531e-6,\n", - " 'ADDITIVE_KERNEL_COEFF': 1500,\n", - " \n", - " # Plotting parameters\n", - " 'T_MAX_SEC': 3600,\n", - " 'PLOT_TIME_STEP_SEC': 120,\n", - " 'RADIUS_BIN_EDGES_M': list(np.logspace(np.log10(1e-5), np.log10(5e-3), num=100, endpoint=True))\n", - "}\n", - "\n", - "# Derived parameters\n", - "SETTINGS['N_BINS'] = len(SETTINGS[\"RADIUS_BIN_EDGES_M\"]) - 1\n", - "SETTINGS[\"N_PLOT_STEPS\"] = SETTINGS[\"T_MAX_SEC\"] // SETTINGS[\"PLOT_TIME_STEP_SEC\"]\n", - "assert SETTINGS[\"N_PLOT_STEPS\"] * SETTINGS[\"PLOT_TIME_STEP_SEC\"] == SETTINGS[\"T_MAX_SEC\"]\n", - "\n", - "#Load settings into json file for julia process\n", - "with open('setup.json', 'w', encoding='UTF-8') as f:\n", - " json.dump(SETTINGS, f)\n", - "\n", - "SETTINGS['RADIUS_BIN_EDGES_M'] = np.array(SETTINGS['RADIUS_BIN_EDGES_M'])\n", - "SETTINGS = namedtuple(\"Settings\", SETTINGS.keys())(**SETTINGS) # ensure immutable\n", - "\n", - "# Every model is set up to be a subclass of the Run class\n", - "class Run:\n", - " def __init__(self, settings):\n", - " print(f\"Instantiating {self.__class__.__name__}\")\n", - " self.settings = settings" - ] - }, - { - "cell_type": "code", - "execution_count": 52, - "id": "9272286c", - "metadata": {}, - "outputs": [], - "source": [ - "# Format for a new model run, search NEW_MODEL for lines to change\n", - "# pylint: disable=unnecessary-pass\n", - "class NewModelRun(Run):\n", - " def __init__(self,settings):\n", - " super().__init__(settings)\n", - " # Import model packages here instead of at the top of the notebook\n", - " # import newmodel as nm\n", - "\n", - " # use the settings dictionary to set up the model parameters\n", - " self.settings = settings\n", - " self.bin_data = np.full(self.settings.N_BINS, fill_value=np.nan)\n", - "\n", - " def __call__(self):\n", - " # Run the model here\n", - " # Output should be a dictionary with the following spectra:\n", - " out = {'Number Concentration (#/m^3/unit ln R)':{}, 'Mass Density (kg/m^3/unit ln R)':{}}\n", - "\n", - " # Use the settings dictionary to output common results \n", - " pass\n", - "\n", - " # Example run\n", - " for step in range(self.settings.N_PLOT_STEPS+1):\n", - " if step != 0:\n", - " # Run model until next output time (step)\n", - " pass\n", - "\n", - " # Calculate and save mass density and number concentration\n", - " mass_density = self.bin_data.copy() #kilograms of water per m^3 per dlnr\n", - " pass\n", - " out['Mass Density (kg/m^3/unit ln R)'][step] = mass_density\n", - "\n", - " number_density = self.bin_data.copy() #number of water droplets per m^3\n", - " pass\n", - " out['Number Concentration (#/m^3/unit ln R)'][step] = number_density\n", - "\n", - " return out" - ] - }, - { - "cell_type": "code", - "execution_count": 53, - "id": "092168b8", - "metadata": {}, - "outputs": [], - "source": [ - "class AnalyticalSoln(Run):\n", - " \"\"\"\n", - " Analytical solution for the Golovin kernel taken from PySDM \n", - " \"\"\"\n", - " def __init__(self, settings):\n", - " super().__init__(settings)\n", - "\n", - " from PySDM import Formulae\n", - " from PySDM.dynamics.collisions import collision_kernels \n", - "\n", - " self.formulae = Formulae()\n", - " volume_bins_edges = self.formulae.trivia.volume(settings.RADIUS_BIN_EDGES_M)\n", - " dv, dr = np.diff(volume_bins_edges), np.diff(settings.RADIUS_BIN_EDGES_M)\n", - " self.dv_over_dr = dv / dr\n", - " pdf_v_x = volume_bins_edges[:-1] + dv / 2\n", - " self.pdf_r_x = settings.RADIUS_BIN_EDGES_M[:-1] + dr / 2\n", - " \n", - " self.collision_kernel=collision_kernels.Golovin(b=settings.ADDITIVE_KERNEL_COEFF)\n", - " self.times = np.linspace(\n", - " start=0, stop=settings.T_MAX_SEC,\n", - " num=settings.N_PLOT_STEPS+1\n", - " )\n", - " self.analytical_solution = partial(\n", - " self.collision_kernel.analytic_solution,\n", - " x = pdf_v_x,\n", - " x_0= self.formulae.trivia.volume(settings.DIAM_AT_MEAN_VOL_M / 2),\n", - " N_0=self.settings.NUM_CONC_PER_M3\n", - " )\n", - "\n", - " def __call__(self): \n", - " from PySDM.physics import si\n", - "\n", - " out = {'Number Concentration (#/m^3/unit ln R)':{}, 'Mass Density (kg/m^3/unit ln R)':{}}\n", - "\n", - " for step in range(self.settings.N_PLOT_STEPS+1):\n", - " t = step*self.settings.PLOT_TIME_STEP_SEC or 1e-10 #For 0 time\n", - "\n", - " pdf_v_y = (\n", - " self.settings.NUM_CONC_PER_M3\n", - " * self.settings.VOLUME_M3\n", - " * self.analytical_solution(t=t)\n", - " )\n", - " pdf_r_y = pdf_v_y * self.dv_over_dr * self.pdf_r_x\n", - " y_true_mass_density = (\n", - " pdf_r_y\n", - " * self.formulae.trivia.volume(radius=self.pdf_r_x)\n", - " * self.formulae.constants.rho_w\n", - " / self.settings.VOLUME_M3*si.metres**3\n", - " * si.kilograms\n", - " )\n", - " y_true_number_density = (\n", - " pdf_r_y\n", - " / self.settings.VOLUME_M3*si.metres**3\n", - " )\n", - " out['Mass Density (kg/m^3/unit ln R)'][step] = y_true_mass_density\n", - " out['Number Concentration (#/m^3/unit ln R)'][step] = y_true_number_density\n", - "\n", - " return out" - ] - }, - { - "cell_type": "code", - "execution_count": 54, - "id": "29491329", - "metadata": {}, - "outputs": [], - "source": [ - "class RunPySDM(Run):\n", - " def __init__(self, settings):\n", - " import PySDM\n", - " from PySDM.physics import si\n", - "\n", - " builder = PySDM.Builder(\n", - " settings.N_PART,\n", - " backend=PySDM.backends.CPU(),\n", - " environment=PySDM.environments.Box(\n", - " dt=settings.DT_SEC * si.s,\n", - " dv=settings.VOLUME_M3 * si.m**3\n", - " )\n", - " )\n", - " trivia = builder.formulae.trivia\n", - " spectrum = PySDM.initialisation.spectra.Exponential(\n", - " norm_factor=settings.NUM_CONC_PER_M3 * settings.VOLUME_M3 / si.m**3,\n", - " scale=trivia.volume(radius=settings.DIAM_AT_MEAN_VOL_M / 2 * si.m)\n", - " )\n", - " builder.add_dynamic(PySDM.dynamics.Coalescence(\n", - " collision_kernel=PySDM.dynamics.collisions.collision_kernels.Golovin(\n", - " b=settings.ADDITIVE_KERNEL_COEFF\n", - " ), adaptive=False\n", - " ))\n", - "\n", - " self.particulator = builder.build(\n", - " attributes=builder.particulator.environment.init_attributes(\n", - " spectral_discretisation=PySDM.initialisation.sampling.spectral_sampling.Logarithmic(\n", - " spectrum,\n", - " )\n", - " ),\n", - " products=(\n", - " PySDM.products.ParticleSizeSpectrumPerVolume(\n", - " radius_bins_edges=settings.RADIUS_BIN_EDGES_M,\n", - " name='Number Concentration (#/m^3/m)',\n", - " ),\n", - " PySDM.products.ParticleVolumeVersusRadiusLogarithmSpectrum(\n", - " radius_bins_edges=settings.RADIUS_BIN_EDGES_M,\n", - " name='Volume Density (1/ unit ln R)',\n", - " )\n", - " )\n", - " )\n", - " super().__init__(settings)\n", - "\n", - " def __call__(self):\n", - " from PySDM.physics import si, constants_defaults\n", - "\n", - " pysdm_output = {'Number Concentration (#/m^3/unit ln R)':{},\n", - " 'Mass Density (kg/m^3/unit ln R)':{}}\n", - " for step in range(self.settings.N_PLOT_STEPS + 1):\n", - " if step != 0:\n", - " self.particulator.run(int(self.settings.PLOT_TIME_STEP_SEC // self.settings.DT_SEC))\n", - " #next two lines convert from dr to dlnr\n", - " pysdm_output['Number Concentration (#/m^3/unit ln R)'][step] = (\n", - " self.particulator.products['Number Concentration (#/m^3/m)'].get() \n", - " * (self.settings.RADIUS_BIN_EDGES_M[1:]-self.settings.RADIUS_BIN_EDGES_M[:-1])\n", - " / (np.log(self.settings.RADIUS_BIN_EDGES_M[1:]) \n", - " - np.log(self.settings.RADIUS_BIN_EDGES_M[:-1]))\n", - " )\n", - " pysdm_output['Mass Density (kg/m^3/unit ln R)'][step] = (\n", - " self.particulator.products['Volume Density (1/ unit ln R)'].get()[0]\n", - " * constants_defaults.rho_w * si.kilogram / si.metre**3\n", - " )\n", - " return pysdm_output" - ] - }, - { - "cell_type": "code", - "execution_count": 55, - "id": "80e1dcdd", - "metadata": {}, - "outputs": [], - "source": [ - "class RunPartMC(Run):\n", - " def __init__(self, settings):\n", - " import PyPartMC as ppmc\n", - " gas_data = ppmc.GasData((\"Background\",\"NO2\"))\n", - " env_state = ppmc.EnvState(\n", - " {\n", - " \"rel_humidity\": .99,\n", - " \"latitude\": 40,\n", - " \"longitude\": 0,\n", - " \"altitude\": 0 * ppmc.si.m,\n", - " \"start_time\": 0 * ppmc.si.s,\n", - " \"start_day\": 1,\n", - " }\n", - " )\n", - " env_state.additive_kernel_coefficient = settings.ADDITIVE_KERNEL_COEFF\n", - " assert env_state.additive_kernel_coefficient == settings.ADDITIVE_KERNEL_COEFF\n", - "\n", - " aero_data = ppmc.AeroData((\n", - " {\"H2O\": [1000 * ppmc.si.kg / ppmc.si.m**3, 0, 18.0 * ppmc.si.g / ppmc.si.mol, 0.00]},\n", - " ))\n", - " self.gas_state = ppmc.GasState(gas_data)\n", - " placeholder_gas = [\n", - " {\"time\": [0 * ppmc.si.s]},\n", - " {\"rate\": [0 / ppmc.si.s]},\n", - " {\"dist\": [[{\"placeholder\": {\n", - " \"mass_frac\": [{\"H2O\": [1]}],\n", - " \"diam_type\": \"geometric\",\n", - " \"mode_type\": \"log_normal\",\n", - " \"num_conc\": 0 / ppmc.si.m**3,\n", - " \"geom_mean_diam\": 0.02 * ppmc.si.um,\n", - " \"log10_geom_std_dev\": 0.161,\n", - " },}]]},\n", - " ]\n", - "\n", - " scenario = ppmc.Scenario(\n", - " gas_data,\n", - " aero_data,\n", - " {\n", - " \"temp_profile\": [{\"time\": [0]}, {\"temp\": [300]}],\n", - " \"pressure_profile\": [\n", - " {\"time\": [0]},\n", - " {\"pressure\": [100000]},\n", - " ],\n", - " \"height_profile\": [{\"time\": [0]}, {\"height\": [1000]}],\n", - " \"gas_emissions\": placeholder_gas,\n", - " \"gas_background\": placeholder_gas,\n", - " \"aero_emissions\": placeholder_gas,\n", - " \"aero_background\":placeholder_gas,\n", - " \"loss_function\": \"none\",\n", - " },\n", - " )\n", - "\n", - " scenario.init_env_state(env_state, 0.0)\n", - " aero_dist_init = ppmc.AeroDist(aero_data, [\n", - " {\n", - " \"init1\": {\n", - " \"mass_frac\": [{\"H2O\": [1]}],\n", - " \"diam_type\": \"geometric\",\n", - " \"mode_type\": \"exp\",\n", - " \"num_conc\": settings.NUM_CONC_PER_M3 / ppmc.si.m**3,\n", - " \"diam_at_mean_vol\": settings.DIAM_AT_MEAN_VOL_M * ppmc.si.m,\n", - " },\n", - " }\n", - " ])\n", - "\n", - " run_part_opt = ppmc.RunPartOpt(\n", - " {\n", - " \"output_prefix\": 'additive',\n", - " \"do_coagulation\": True,\n", - " \"coag_kernel\": \"additive\",\n", - " \"t_max\": settings.T_MAX_SEC * ppmc.si.s,\n", - " \"del_t\": settings.DT_SEC * ppmc.si.s,\n", - " }\n", - " )\n", - "\n", - " self.aero_state = ppmc.AeroState(aero_data, settings.N_PART, \"flat\")\n", - " self.aero_state.dist_sample(aero_dist_init)\n", - "\n", - " self.run_part_args = (\n", - " scenario,\n", - " env_state,\n", - " aero_data,\n", - " self.aero_state,\n", - " gas_data,\n", - " self.gas_state,\n", - " run_part_opt,\n", - " ppmc.CampCore(),\n", - " ppmc.Photolysis(),\n", - " )\n", - " self.rad_grid = ppmc.BinGrid(\n", - " len(settings.RADIUS_BIN_EDGES_M) - 1,\n", - " \"log\",\n", - " settings.RADIUS_BIN_EDGES_M[0],\n", - " settings.RADIUS_BIN_EDGES_M[-1]\n", - " )\n", - " super().__init__(settings)\n", - " \n", - " def __call__(self):\n", - " import PyPartMC as ppmc\n", - "\n", - " dists = []\n", - " diameters = self.aero_state.diameters()\n", - " num_concs = self.aero_state.num_concs\n", - " masses = self.aero_state.masses()\n", - " mass_concs = np.array(num_concs) * np.array(masses)\n", - " dists_mass = []\n", - " dists.append(ppmc.histogram_1d(self.rad_grid, np.array(diameters)/2, num_concs))\n", - " dists_mass.append(\n", - " ppmc.histogram_1d(self.rad_grid, np.array(diameters)/2, mass_concs)\n", - " )\n", - "\n", - " last_output_time = 0.\n", - " last_progress_time = 0.\n", - " i_output = 1\n", - " t_initial = 0\n", - " for i_time in range(1, int(self.settings.T_MAX_SEC // self.settings.DT_SEC) + 1):\n", - " (last_output_time, last_progress_time, i_output) = ppmc.run_part_timestep(\n", - " *self.run_part_args,\n", - " i_time,\n", - " t_initial,\n", - " last_output_time,\n", - " last_progress_time,\n", - " i_output\n", - " )\n", - " \n", - " if np.mod(i_time * self.settings.DT_SEC, self.settings.PLOT_TIME_STEP_SEC) == 0:\n", - " diameters = self.aero_state.diameters()\n", - " num_concs = self.aero_state.num_concs\n", - " masses = self.aero_state.masses()\n", - " mass_concs = np.array(num_concs) * np.array(masses)\n", - " dists.append(ppmc.histogram_1d(self.rad_grid, np.array(diameters)/2, num_concs))\n", - " dists_mass.append(\n", - " ppmc.histogram_1d(self.rad_grid, np.array(diameters)/2, mass_concs)\n", - " )\n", - "\n", - " return {'Number Concentration (#/m^3/unit ln R)': dists,\n", - " 'Mass Density (kg/m^3/unit ln R)': dists_mass}" - ] - }, - { - "cell_type": "code", - "execution_count": 56, - "id": "f7d54f29", - "metadata": {}, - "outputs": [], - "source": [ - "class RunDropletsJL(Run):\n", - " def __init__(self, _):\n", - " BASE_URL = (\n", - " 'https://raw.githubusercontent.com/emmacware/droplets.jl/REVISION/'\n", - " ).replace('REVISION', 'c3b5ae4edf12c7b10dc8759639f18de1267bc52b')\n", - " for path in (\n", - " 'src/SDfunc/constants.jl', 'src/SDfunc/binning.jl','src/SDfunc/coalescence.jl',\n", - " ):\n", - " with open('Droplets.jl-' + path.replace('/','-'), 'w', encoding='utf-8') as fout:\n", - " with urllib.request.urlopen(BASE_URL + path) as fin:\n", - " fout.write(fin.read().decode('utf-8'))\n", - " \n", - " code_to_write = \"\"\"\n", - " using Pkg\n", - " Pkg.add([\"Combinatorics\", \"Distributions\", \"Random\",\"JSON\",\"Interpolations\"])\n", - " using Random,Combinatorics,Distributions\n", - " include(\"Droplets.jl-src-SDfunc-constants.jl\")\n", - " include(\"Droplets.jl-src-SDfunc-coalescence.jl\")\n", - " include(\"Droplets.jl-src-SDfunc-binning.jl\")\n", - " using JSON\n", - " \n", - " FT = Float64\n", - " setup = JSON.parsefile(\"./setup.json\")\n", - "\n", - " coagsetting_args = (\n", - " Ns = Int(setup[\"N_PART\"]),\n", - " Δt = setup[\"DT_SEC\"],\n", - " ΔV = setup[\"VOLUME_M3\"],\n", - " golovin_kernel_coeff = FT(setup[\"ADDITIVE_KERNEL_COEFF\"]),\n", - " n0 = FT(setup[\"NUM_CONC_PER_M3\"]),\n", - " R0 = FT(setup[\"DIAM_AT_MEAN_VOL_M\"]) / 2\n", - " )\n", - "\n", - " runsetting_args = (\n", - " num_bins = Int(setup[\"N_BINS\"]),\n", - " radius_bins_edges = setup[\"RADIUS_BIN_EDGES_M\"],\n", - " smooth = false,\n", - " output_steps = collect(0:setup[\"PLOT_TIME_STEP_SEC\"]:setup[\"T_MAX_SEC\"]),\n", - " scheme = none(), # Adaptive() not used\n", - " init_method = init_logarithmic\n", - " )\n", - "\n", - " coagsettings = coag_settings{FT}(;coagsetting_args...)\n", - " runsettings =run_settings{FT}(;runsetting_args...,binning_method = none())\n", - " numdens_set =run_settings{FT}(;runsetting_args...,binning_method = number_density)\n", - " massdens_set =run_settings{FT}(;runsetting_args...,binning_method = mass_density_lnr)\n", - "\n", - "\n", - " droplets = runsettings.init_method(coagsettings)\n", - " num_dens_bin::Matrix{FT} = zeros(FT, runsettings.num_bins, length(runsettings.output_steps))\n", - " mass_dens_bin::Matrix{FT} = zeros(FT, runsettings.num_bins, length(runsettings.output_steps))\n", - "\n", - " coag_data = coagulation_run{FT}(coagsettings.Ns)\n", - " for i in 1:length(runsettings.output_steps)\n", - " if i !=1\n", - " timestepper = (runsettings.output_steps[i]-runsettings.output_steps[i-1])/coagsettings.Δt\n", - " for _ in 1:timestepper\n", - " coalescence_timestep!(Serial(),runsettings.scheme,droplets,coag_data,coagsettings)\n", - " end\n", - " end\n", - " num_dens_bin[:,i] = binning_func(droplets,runsettings.output_steps[i],numdens_set,coagsettings)\n", - " mass_dens_bin[:,i] = binning_func(droplets,runsettings.output_steps[i],massdens_set,coagsettings)\n", - " end\n", - "\n", - " dict = Dict()\n", - " dict[\"Number Concentration (#/m^3/unit ln R)\"] = num_dens_bin\n", - " dict[\"Mass Density (kg/m^3/unit ln R)\"] = mass_dens_bin\n", - " json_string = JSON.json(dict)\n", - "\n", - " open(\"output.json\", \"w\") do file\n", - " write(file, json_string)\n", - " end\n", - " \"\"\"\n", - "\n", - " with open('script.jl', 'w', encoding='utf-8') as file:\n", - " file.write(code_to_write)\n", - "\n", - " super().__init__(SETTINGS)\n", - " \n", - " def __call__(self):\n", - " subprocess.run([\"julia\", \"--quiet\", \"script.jl\"], check=True)\n", - " with open('output.json', 'r', encoding='utf8') as file:\n", - " Droplets = json.load(file)\n", - " return Droplets" - ] - }, - { - "cell_type": "code", - "execution_count": 57, - "id": "88961c94", - "metadata": {}, - "outputs": [], - "source": [ - "class DustPy(Run):\n", - " def __init__(self,settings):\n", - " super().__init__(settings)\n", - " from dustpy import Simulation\n", - " #DUSTPY USES CGS UNITS AND COLUMN AVERAGE DENSITIES, INPUT AND OUTPUT ARE SI\n", - " cm = 1.e2\n", - " g_per_cm3 = 1.\n", - "\n", - " m0 = 4/3 * np.pi * ((settings.DIAM_AT_MEAN_VOL_M*cm)/2)**3 * g_per_cm3 # ->cm, ->g\n", - " #kernel coefficient, changing to integrated column \n", - " self.a = settings.ADDITIVE_KERNEL_COEFF/(\n", - " settings.VOLUME_M3*m0*settings.NUM_CONC_PER_M3/cm**2)\n", - " \n", - " #Initialize\n", - " sim = Simulation()\n", - " sim.ini.grid.Nr = 3\n", - " numberpermassdecade = 120\n", - " sim.ini.grid.Nmbpd = numberpermassdecade\n", - " sim.ini.grid.mmin = 4/3 * np.pi * (\n", - " settings.RADIUS_BIN_EDGES_M[0]*1e2)**3 *g_per_cm3#m0 \n", - " sim.ini.grid.mmax = 4/3 * np.pi * (\n", - " settings.RADIUS_BIN_EDGES_M[-1]*1e2)**3 *g_per_cm3 # ->cm,g\n", - " sim.ini.dust.allowDriftingParticles = True\n", - " sim.initialize()\n", - "\n", - " sim.dust.SigmaFloor[1, ...] = 0.\n", - " #These are water droplets, not planet dust!\n", - " sim.dust.rhos = g_per_cm3\n", - "\n", - " #Only Coagulation\n", - " del sim.integrator.instructions[1]\n", - " # Turning off gas source to not influence the time stepping\n", - " sim.gas.S.tot[...] = 0.\n", - " sim.gas.S.tot.updater = None\n", - " # Turning off dust advection\n", - " sim.dust.v.rad[...] = 0.\n", - " sim.dust.v.rad.updater = None\n", - " # Turning off fragmentation. Only sticking is considered\n", - " sim.dust.p.frag[...] = 0.\n", - " sim.dust.p.frag.updater = None\n", - " sim.dust.p.stick[...] = 1.\n", - " sim.dust.p.stick.updater = None\n", - " # Setting the constant kernel\n", - " sim.dust.kernel[...] = self.a * (sim.grid.m[:, None] + sim.grid.m[None, :])[None, ...]\n", - " sim.dust.kernel.updater = None\n", - " # Setting the initial dust surface density\n", - " sim.dust.Sigma[...] = sim.dust.SigmaFloor[...]\n", - "\n", - " m = sim.grid.m\n", - " A = np.mean(m[1:]/m[:-1])\n", - " B = 2 * (A-1) / (A+1)\n", - " sim.t = 1\n", - " #Exponential Distribution\n", - " # pylint: disable=invalid-unary-operand-type\n", - " sim.dust.Sigma[1, ...] = np.exp(-m/m0)/m0 *(B*m)*m*(settings.NUM_CONC_PER_M3/cm**2) #cm-2\n", - "\n", - " # Updating the simulation object\n", - " sim.update()\n", - "\n", - " plot_times = np.linspace(\n", - " start=settings.PLOT_TIME_STEP_SEC, stop=settings.T_MAX_SEC,\n", - " num=settings.N_PLOT_STEPS\n", - " )\n", - " snapshots = np.hstack(\n", - " [sim.t, plot_times]\n", - " )\n", - " sim.t.snapshots = snapshots\n", - " sim.writer.datadir = \"dustpy_\"\n", - " sim.writer.overwrite = True\n", - "\n", - " #for use during __call\n", - " self.sim = sim\n", - " self.settings = settings\n", - "\n", - "\n", - " def __call__(self):\n", - "\n", - " out = {'Number Concentration (#/m^3/unit ln R)':{}, 'Mass Density (kg/m^3/unit ln R)':{}}\n", - " #Conversions from cgs to si\n", - " kg = 1e-3\n", - " meter = 1e-2\n", - "\n", - " #run Simulation \n", - " self.sim.run()\n", - "\n", - " SigmaLinearHighRes = self.sim.writer.read.sequence(\n", - " \"dust.Sigma\")*kg/meter**2 #only 2 because cm2\n", - " mHighRes = self.sim.writer.read.sequence(\"grid.m\")*kg\n", - " aHighRes = self.sim.writer.read.sequence(\"dust.a\")[0,1,:]*meter\n", - "\n", - " for step in range(self.settings.N_PLOT_STEPS+1):\n", - " mass_density = np.full(self.settings.N_BINS, fill_value=0.)\n", - " number_density = np.full(self.settings.N_BINS, fill_value=0.)\n", - " \n", - " # bin data to settings.RADIUS_BIN_EDGES_M\n", - " k = 0\n", - " for i,radius in enumerate(aHighRes):\n", - " for j in range(k,len(self.settings.RADIUS_BIN_EDGES_M)-1):\n", - " if self.settings.RADIUS_BIN_EDGES_M[j] <= radius < (\n", - " self.settings.RADIUS_BIN_EDGES_M[j + 1]):\n", - " mass_density[j] += SigmaLinearHighRes[step, 1, i]\n", - " number_density[j] += SigmaLinearHighRes[step, 1, i]/mHighRes[1, i]\n", - " k = j\n", - " break\n", - " dlnr = np.log(self.settings.RADIUS_BIN_EDGES_M[1:])-np.log(\n", - " self.settings.RADIUS_BIN_EDGES_M[:-1])\n", - "\n", - " out['Mass Density (kg/m^3/unit ln R)'][step] = mass_density/dlnr\n", - " out['Number Concentration (#/m^3/unit ln R)'][step] = number_density/dlnr\n", - "\n", - " return out" - ] - }, - { - "cell_type": "code", - "execution_count": 58, - "id": "b33d3ccb", - "metadata": {}, - "outputs": [ + "cells": [ { - "name": "stdout", - "output_type": "stream", - "text": [ - "Instantiating AnalyticalSoln\n", - "Instantiating RunPartMC\n", - "Instantiating RunPySDM\n", - "Instantiating DustPy\n" - ] + "cell_type": "markdown", + "id": "1a90349d", + "metadata": { + "id": "1a90349d" + }, + "source": [ + "[![nbviewer](https://raw.githubusercontent.com/jupyter/design/master/logos/Badges/nbviewer_badge.svg)](https://nbviewer.jupyter.org/github/open-atmos/PyPartMC/blob/main/examples/additive_coag_comparison.ipynb) \n", + "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/open-atmos/PyPartMC/blob/main/examples/additive_coag_comparison.ipynb) \n", + "[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/open-atmos/PyPartMC.git/main?urlpath=lab/tree/examples/additive_coag_comparison.ipynb)" + ] }, { - "name": "stderr", - "output_type": "stream", - "text": [ - "/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/PySDM/backends/numba.py:47: UserWarning: Disabling Numba threading due to ARM64 CPU (atomics do not work yet)\n", - " warnings.warn(\n" - ] + "cell_type": "code", + "execution_count": 1, + "id": "159edeb4", + "metadata": { + "id": "159edeb4" + }, + "outputs": [], + "source": [ + "# This file is a part of PyPartMC licensed under the GNU General Public License v3\n", + "# Copyright (C) 2025 University of Illinois Urbana-Champaign\n", + "#\n", + "# PartMC Authors:\n", + "# - https://github.com/compdyn/partmc/graphs/contributors\n", + "# - https://github.com/open-atmos/PyPartMC/graphs/contributors" + ] }, { - "name": "stdout", - "output_type": "stream", - "text": [ - "Instantiating NewModelRun\n", - "Running analytical...\n", - "Running PartMC...\n", - "Running PySDM...\n", - "Running DustPy...\n", - "\n", - "DustPy v1.0.8\n", - "\n", - "Documentation: https://stammler.github.io/dustpy/\n", - "PyPI: https://pypi.org/project/dustpy/\n", - "GitHub: https://github.com/stammler/dustpy/\n", - "\u001b[94m\n", - "Please cite Stammler & Birnstiel (2022).\u001b[0m\n", - "\n", - "\u001b[93mChecking for mass conservation...\n", - 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" 'analytical': AnalyticalSoln(SETTINGS),\n", - " 'PartMC': RunPartMC(SETTINGS),\n", - " 'PySDM': RunPySDM(SETTINGS),\n", - " 'DustPy': DustPy(SETTINGS),\n", - " '': NewModelRun(SETTINGS) #NEW_MODEL\n", - "}\n", - "# if shutil.which('julia') is not None: # pylint: disable=undefined-variable\n", - " # models['Droplets.jl'] = RunDropletsJL(SETTINGS)\n", - "output = {k: print(f\"Running {k}...\") or model() for k, model in models.items()}" - ] - }, - { - "cell_type": "code", - "execution_count": 59, - "id": "6cc84269", - "metadata": {}, - "outputs": [ + "cell_type": "code", + "execution_count": 2, + "id": "749c1483", + "metadata": { + "id": "749c1483" + }, + "outputs": [], + "source": [ + "# pylint: disable=too-few-public-methods, import-outside-toplevel, missing-class-docstring" + ] + }, { - "data": { - "text/html": [ - "" + "cell_type": "markdown", + "id": "681810a3", + "metadata": { + "id": "681810a3" + }, + "source": [ + "\n", + "This notebook aims to compare the results of three stochastic particle-based models using a coagulation only box model test case.\n", + "The models (PyPartMC, PySDM, dustpy, and Droplets.jl) model the evolution of the droplet size distribution using the Golovin (additive) collision kernel [Golovin 1963](http://mi.mathnet.ru/dan27630). We have chosen this kernel because it has an analytical solution, also included in this notebook.\n", + "These settings reproduce Figure 2a in section 5.1.4 of [Shima et al. 2009](https://DOI.org/10.1002/qj.441) as a \"Hello World\" for droplet collisional growth.\n", + "[PySDM](https://open-atmos.github.io/PySDM/) and [Droplets.jl](https://github.com/emmacware/droplets.jl) use the Shima et al. 2009 coagulation scheme (Super-Droplet Method or SDM), and PyPartMC uses the Weighted Flow Algorithm (WFA) for droplet coagulation [DeVille et al. 2011](https://DOI.org/10.1016/j.jcp.2011.07.027).\n", + "The [dustpy](https://iopscience.iop.org/article/10.3847/1538-4357/ac7d58) package is used to simulate dust evolution in protoplanetary disks. It uses a linear distribution sectional approach to simulate coagulation evolution, advantageous for planetary particle size and time scales.\n", + "\n", + "\n", + "Another goal of this notebook is to provide a framework for additional model comparisons. The structure of the workflow in this notebook was created with this in mind. The model subclasses within the run class standardize the format of the common input and output, creating a format for new models to follow. Although all models represented currently are particle-based models, the format and settings should be generalizable to any method that handles coagulation growth of cloud droplets. An example workflow for models different languages is also included in the notebook with Droplets.jl, a native Julia model." + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "id": "4f8359c2", + "metadata": { + "id": "4f8359c2" + }, + "outputs": [], + "source": [ + "import sys\n", + "import shutil\n", + "\n", + "if \"google.colab\" in sys.modules:\n", + " !pip --quiet install open-atmos-jupyter-utils\n", + " from open_atmos_jupyter_utils import pip_install_on_colab\n", + " pip_install_on_colab('PyPartMC', 'PySDM','dustpy')\n", + "\n", + " # install julia if not in system\n", + " if shutil.which('julia') is None:\n", + " !wget -q https://julialang-s3.julialang.org/bin/linux/x64/1.11/julia-1.11.3-linux-x86_64.tar.gz -O /tmp/julia.tar.gz; \\\n", + " tar -x -f /tmp/julia.tar.gz -C /usr/local --strip-components 1; \\\n", + " rm /tmp/julia.tar.gz;" + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "id": "b494ea6e", + "metadata": { + "id": "b494ea6e" + }, + "outputs": [], + "source": [ + "from collections import namedtuple\n", + "from functools import partial\n", + "import urllib\n", + "import json\n", + "import subprocess\n", + "import warnings\n", + "import numpy as np\n", + "import matplotlib.pyplot as plt\n", + "from open_atmos_jupyter_utils.show_anim import show_anim\n", + "# note: model-related imports have been moved to the specific model class cells" + ] + }, + { + "cell_type": "code", + "execution_count": 5, + "id": "03708307", + "metadata": { + "id": "03708307" + }, + "outputs": [], + "source": [ + "SETTINGS = {\n", + " # Physical parameters\n", + " 'N_PART': 2**16,\n", + " 'VOLUME_M3': 1e6,\n", + " 'DT_SEC': 1.,\n", + " 'NUM_CONC_PER_M3': 2**23,\n", + " 'DIAM_AT_MEAN_VOL_M': 2*30.531e-6,\n", + " 'ADDITIVE_KERNEL_COEFF': 1500,\n", + "\n", + " # Plotting parameters\n", + " 'T_MAX_SEC': 3600,\n", + " 'PLOT_TIME_STEP_SEC': 120,\n", + " 'RADIUS_BIN_EDGES_M': list(np.logspace(np.log10(1e-5), np.log10(5e-3), num=129, endpoint=True))\n", + "}\n", + "\n", + "# Derived parameters\n", + "SETTINGS['N_BINS'] = len(SETTINGS[\"RADIUS_BIN_EDGES_M\"]) - 1\n", + "SETTINGS[\"N_PLOT_STEPS\"] = SETTINGS[\"T_MAX_SEC\"] // SETTINGS[\"PLOT_TIME_STEP_SEC\"]\n", + "assert SETTINGS[\"N_PLOT_STEPS\"] * SETTINGS[\"PLOT_TIME_STEP_SEC\"] == SETTINGS[\"T_MAX_SEC\"]\n", + "\n", + "# Save settings into json file for julia process\n", + "with open('setup.json', 'w', encoding='UTF-8') as f:\n", + " json.dump(SETTINGS, f)\n", + "\n", + "SETTINGS['RADIUS_BIN_EDGES_M'] = np.array(SETTINGS['RADIUS_BIN_EDGES_M'])\n", + "SETTINGS = namedtuple(\"Settings\", SETTINGS.keys())(**SETTINGS) # ensure immutable\n", + "\n", + "# Every model is set up to be a subclass of the Run class\n", + "class Run:\n", + " def __init__(self, settings):\n", + " print(f\"Instantiating {self.__class__.__name__}\")\n", + " self.settings = settings" + ] + }, + { + "cell_type": "markdown", + "id": "26e72d27-d1ea-4840-b7f9-7470e378ce6f", + "metadata": { + "id": "26e72d27-d1ea-4840-b7f9-7470e378ce6f" + }, + "source": [ + "### Format for a new model run, search NEW_MODEL for lines to change" + ] + }, + { + "cell_type": "code", + "execution_count": 6, + "id": "9272286c", + "metadata": { + "id": "9272286c" + }, + "outputs": [], + "source": [ + "# pylint: disable=unnecessary-pass\n", + "class NewModelRun(Run):\n", + " def __init__(self,settings):\n", + " super().__init__(settings)\n", + " # Import model packages here instead of at the top of the notebook\n", + " # import newmodel as nm\n", + "\n", + " # use the settings dictionary to set up the model parameters\n", + " self.settings = settings\n", + " self.bin_data = np.full(self.settings.N_BINS, fill_value=np.nan)\n", + "\n", + " def __call__(self):\n", + " # Run the model here\n", + " # Output should be a dictionary with the following spectra:\n", + " out = {'Number Concentration (#/m^3/unit ln R)':{}, 'Mass Density (kg/m^3/unit ln R)':{}}\n", + "\n", + " # Use the settings dictionary to output common results\n", + " pass\n", + "\n", + " # Example run\n", + " for step in range(self.settings.N_PLOT_STEPS+1):\n", + " if step != 0:\n", + " # Run model until next output time (step)\n", + " pass\n", + "\n", + " # Calculate and save mass density and number concentration\n", + " mass_density = self.bin_data.copy() #kilograms of water per m^3 per dlnr\n", + " pass\n", + " out['Mass Density (kg/m^3/unit ln R)'][step] = mass_density\n", + "\n", + " number_density = self.bin_data.copy() #number of water droplets per m^3\n", + " pass\n", + " out['Number Concentration (#/m^3/unit ln R)'][step] = number_density\n", + "\n", + " return out" + ] + }, + { + "cell_type": "code", + "execution_count": 7, + "id": "092168b8", + "metadata": { + "id": "092168b8" + }, + "outputs": [], + "source": [ + "class AnalyticalSoln(Run):\n", + " \"\"\"\n", + " Analytical solution for the Golovin kernel taken from PySDM\n", + " \"\"\"\n", + " def __init__(self, settings):\n", + " super().__init__(settings)\n", + "\n", + " from PySDM import Formulae\n", + " from PySDM.dynamics.collisions import collision_kernels\n", + "\n", + " self.formulae = Formulae()\n", + " volume_bins_edges = self.formulae.trivia.volume(settings.RADIUS_BIN_EDGES_M)\n", + " dv, dr = np.diff(volume_bins_edges), np.diff(settings.RADIUS_BIN_EDGES_M)\n", + " self.dv_over_dr = dv / dr\n", + " pdf_v_x = volume_bins_edges[:-1] + dv / 2\n", + " self.pdf_r_x = settings.RADIUS_BIN_EDGES_M[:-1] + dr / 2\n", + "\n", + " self.collision_kernel=collision_kernels.Golovin(b=settings.ADDITIVE_KERNEL_COEFF)\n", + " self.times = np.linspace(\n", + " start=0, stop=settings.T_MAX_SEC,\n", + " num=settings.N_PLOT_STEPS+1\n", + " )\n", + " self.analytical_solution = partial(\n", + " self.collision_kernel.analytic_solution,\n", + " x = pdf_v_x,\n", + " x_0= self.formulae.trivia.volume(settings.DIAM_AT_MEAN_VOL_M / 2),\n", + " N_0=self.settings.NUM_CONC_PER_M3\n", + " )\n", + "\n", + " def __call__(self):\n", + " from PySDM.physics import si\n", + "\n", + " out = {'Number Concentration (#/m^3/unit ln R)':{}, 'Mass Density (kg/m^3/unit ln R)':{}}\n", + "\n", + " for step in range(self.settings.N_PLOT_STEPS+1):\n", + " t = step*self.settings.PLOT_TIME_STEP_SEC or 1e-10 #For 0 time\n", + "\n", + " pdf_v_y = (\n", + " self.settings.NUM_CONC_PER_M3\n", + " * self.settings.VOLUME_M3\n", + " * self.analytical_solution(t=t)\n", + " )\n", + " pdf_r_y = pdf_v_y * self.dv_over_dr * self.pdf_r_x\n", + " y_true_mass_density = (\n", + " pdf_r_y\n", + " * self.formulae.trivia.volume(radius=self.pdf_r_x)\n", + " * self.formulae.constants.rho_w\n", + " / self.settings.VOLUME_M3*si.metres**3\n", + " * si.kilograms\n", + " )\n", + " y_true_number_density = (\n", + " pdf_r_y\n", + " / self.settings.VOLUME_M3*si.metres**3\n", + " )\n", + " out['Mass Density (kg/m^3/unit ln R)'][step] = y_true_mass_density\n", + " out['Number Concentration (#/m^3/unit ln R)'][step] = y_true_number_density\n", + "\n", + " return out" + ] + }, + { + "cell_type": "code", + "execution_count": 8, + "id": "29491329", + "metadata": { + "id": "29491329" + }, + "outputs": [], + "source": [ + "class RunPySDM(Run):\n", + " def __init__(self, settings):\n", + " import PySDM\n", + " from PySDM.physics import si\n", + "\n", + " builder = PySDM.Builder(\n", + " settings.N_PART,\n", + " backend=PySDM.backends.CPU(),\n", + " environment=PySDM.environments.Box(\n", + " dt=settings.DT_SEC * si.s,\n", + " dv=settings.VOLUME_M3 * si.m**3\n", + " )\n", + " )\n", + " trivia = builder.formulae.trivia\n", + " spectrum = PySDM.initialisation.spectra.Exponential(\n", + " norm_factor=settings.NUM_CONC_PER_M3 * settings.VOLUME_M3 / si.m**3,\n", + " scale=trivia.volume(radius=settings.DIAM_AT_MEAN_VOL_M / 2 * si.m)\n", + " )\n", + " builder.add_dynamic(PySDM.dynamics.Coalescence(\n", + " collision_kernel=PySDM.dynamics.collisions.collision_kernels.Golovin(\n", + " b=settings.ADDITIVE_KERNEL_COEFF\n", + " ), adaptive=False\n", + " ))\n", + "\n", + " self.particulator = builder.build(\n", + " attributes=builder.particulator.environment.init_attributes(\n", + " spectral_discretisation=PySDM.initialisation.sampling.spectral_sampling.Logarithmic(\n", + " spectrum,\n", + " )\n", + " ),\n", + " products=(\n", + " PySDM.products.ParticleSizeSpectrumPerVolume(\n", + " radius_bins_edges=settings.RADIUS_BIN_EDGES_M,\n", + " name='Number Concentration (#/m^3/m)',\n", + " ),\n", + " PySDM.products.ParticleVolumeVersusRadiusLogarithmSpectrum(\n", + " radius_bins_edges=settings.RADIUS_BIN_EDGES_M,\n", + " name='Volume Density (1/ unit ln R)',\n", + " )\n", + " )\n", + " )\n", + " super().__init__(settings)\n", + "\n", + " def __call__(self):\n", + " from PySDM.physics import si, constants_defaults\n", + "\n", + " pysdm_output = {'Number Concentration (#/m^3/unit ln R)':{},\n", + " 'Mass Density (kg/m^3/unit ln R)':{}}\n", + " for step in range(self.settings.N_PLOT_STEPS + 1):\n", + " if step != 0:\n", + " self.particulator.run(int(self.settings.PLOT_TIME_STEP_SEC // self.settings.DT_SEC))\n", + " #next two lines convert from dr to dlnr\n", + " pysdm_output['Number Concentration (#/m^3/unit ln R)'][step] = (\n", + " self.particulator.products['Number Concentration (#/m^3/m)'].get()\n", + " * (self.settings.RADIUS_BIN_EDGES_M[1:]-self.settings.RADIUS_BIN_EDGES_M[:-1])\n", + " / (np.log(self.settings.RADIUS_BIN_EDGES_M[1:])\n", + " - np.log(self.settings.RADIUS_BIN_EDGES_M[:-1]))\n", + " )\n", + " pysdm_output['Mass Density (kg/m^3/unit ln R)'][step] = (\n", + " self.particulator.products['Volume Density (1/ unit ln R)'].get()[0]\n", + " * constants_defaults.rho_w * si.kilogram / si.metre**3\n", + " )\n", + " return pysdm_output" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "id": "80e1dcdd", + "metadata": { + "id": "80e1dcdd" + }, + "outputs": [], + "source": [ + "class RunPartMC(Run):\n", + " def __init__(self, settings):\n", + " import PyPartMC as ppmc\n", + " gas_data = ppmc.GasData((\"Background\",\"NO2\"))\n", + " env_state = ppmc.EnvState(\n", + " {\n", + " \"rel_humidity\": .99,\n", + " \"latitude\": 40,\n", + " \"longitude\": 0,\n", + " \"altitude\": 0 * ppmc.si.m,\n", + " \"start_time\": 0 * ppmc.si.s,\n", + " \"start_day\": 1,\n", + " }\n", + " )\n", + " env_state.additive_kernel_coefficient = settings.ADDITIVE_KERNEL_COEFF\n", + " assert env_state.additive_kernel_coefficient == settings.ADDITIVE_KERNEL_COEFF\n", + "\n", + " aero_data = ppmc.AeroData((\n", + " {\"H2O\": [1000 * ppmc.si.kg / ppmc.si.m**3, 0, 18.0 * ppmc.si.g / ppmc.si.mol, 0.00]},\n", + " ))\n", + " self.gas_state = ppmc.GasState(gas_data)\n", + "\n", + " common = [\n", + " {\"time\": [0 * ppmc.si.s]},\n", + " {\"rate\": [0 / ppmc.si.s]}\n", + " ]\n", + " placeholder_gas = [\n", + " *common,\n", + " {\"dist\":\n", + " [[{\"placeholder\": {\n", + " \"mass_frac\": [{\"H2O\": [1]}],\n", + " \"diam_type\": \"geometric\",\n", + " \"mode_type\": \"log_normal\",\n", + " \"num_conc\": 0 / ppmc.si.m**3,\n", + " \"geom_mean_diam\": 0.02 * ppmc.si.um,\n", + " \"log10_geom_std_dev\": 0.161,\n", + " },}]]},\n", + " ]\n", + "\n", + " scenario = ppmc.Scenario(\n", + " gas_data,\n", + " aero_data,\n", + " {\n", + " \"temp_profile\": [{\"time\": [0]}, {\"temp\": [300]}],\n", + " \"pressure_profile\": [\n", + " {\"time\": [0]},\n", + " {\"pressure\": [100000]},\n", + " ],\n", + " \"height_profile\": [{\"time\": [0]}, {\"height\": [1000]}],\n", + " \"gas_emissions\": common,\n", + " \"gas_background\": common,\n", + " \"aero_emissions\": placeholder_gas,\n", + " \"aero_background\":placeholder_gas,\n", + " \"loss_function\": \"none\",\n", + " },\n", + " )\n", + "\n", + " scenario.init_env_state(env_state, 0.0)\n", + " aero_dist_init = ppmc.AeroDist(aero_data, [\n", + " {\n", + " \"init1\": {\n", + " \"mass_frac\": [{\"H2O\": [1]}],\n", + " \"diam_type\": \"geometric\",\n", + " \"mode_type\": \"exp\",\n", + " \"num_conc\": settings.NUM_CONC_PER_M3 / ppmc.si.m**3,\n", + " \"diam_at_mean_vol\": settings.DIAM_AT_MEAN_VOL_M * ppmc.si.m,\n", + " },\n", + " }\n", + " ])\n", + "\n", + " run_part_opt = ppmc.RunPartOpt(\n", + " {\n", + " \"output_prefix\": 'additive',\n", + " \"do_coagulation\": True,\n", + " \"coag_kernel\": \"additive\",\n", + " \"t_max\": settings.T_MAX_SEC * ppmc.si.s,\n", + " \"del_t\": settings.DT_SEC * ppmc.si.s,\n", + " }\n", + " )\n", + "\n", + " self.aero_state = ppmc.AeroState(aero_data, settings.N_PART, \"flat\")\n", + " self.aero_state.dist_sample(aero_dist_init)\n", + "\n", + " self.run_part_args = (\n", + " scenario,\n", + " env_state,\n", + " aero_data,\n", + " self.aero_state,\n", + " gas_data,\n", + " self.gas_state,\n", + " run_part_opt,\n", + " ppmc.CampCore(),\n", + " ppmc.Photolysis(),\n", + " )\n", + " self.rad_grid = ppmc.BinGrid(\n", + " len(settings.RADIUS_BIN_EDGES_M) - 1,\n", + " \"log\",\n", + " settings.RADIUS_BIN_EDGES_M[0],\n", + " settings.RADIUS_BIN_EDGES_M[-1]\n", + " )\n", + " super().__init__(settings)\n", + "\n", + " def __call__(self):\n", + " import PyPartMC as ppmc\n", + "\n", + " dists = []\n", + " diameters = self.aero_state.diameters()\n", + " num_concs = self.aero_state.num_concs\n", + " masses = self.aero_state.masses()\n", + " mass_concs = np.array(num_concs) * np.array(masses)\n", + " dists_mass = []\n", + " dists.append(ppmc.histogram_1d(self.rad_grid, np.array(diameters)/2, num_concs))\n", + " dists_mass.append(\n", + " ppmc.histogram_1d(self.rad_grid, np.array(diameters)/2, mass_concs)\n", + " )\n", + "\n", + " last_output_time = 0.\n", + " last_progress_time = 0.\n", + " i_output = 1\n", + " t_initial = 0\n", + " for i_time in range(1, int(self.settings.T_MAX_SEC // self.settings.DT_SEC) + 1):\n", + " (last_output_time, last_progress_time, i_output) = ppmc.run_part_timestep(\n", + " *self.run_part_args,\n", + " i_time,\n", + " t_initial,\n", + " last_output_time,\n", + " last_progress_time,\n", + " i_output\n", + " )\n", + "\n", + " if np.mod(i_time * self.settings.DT_SEC, self.settings.PLOT_TIME_STEP_SEC) == 0:\n", + " diameters = self.aero_state.diameters()\n", + " num_concs = self.aero_state.num_concs\n", + " masses = self.aero_state.masses()\n", + " mass_concs = np.array(num_concs) * np.array(masses)\n", + " dists.append(ppmc.histogram_1d(self.rad_grid, np.array(diameters)/2, num_concs))\n", + " dists_mass.append(\n", + " ppmc.histogram_1d(self.rad_grid, np.array(diameters)/2, mass_concs)\n", + " )\n", + "\n", + " return {'Number Concentration (#/m^3/unit ln R)': dists,\n", + " 'Mass Density (kg/m^3/unit ln R)': dists_mass}" + ] + }, + { + "cell_type": "code", + "execution_count": 10, + "id": "f7d54f29", + "metadata": { + "id": "f7d54f29" + }, + "outputs": [], + "source": [ + "class RunDropletsJL(Run):\n", + " def __init__(self, _):\n", + " BASE_URL = (\n", + " 'https://raw.githubusercontent.com/emmacware/droplets.jl/REVISION/'\n", + " ).replace('REVISION', 'c3b5ae4edf12c7b10dc8759639f18de1267bc52b')\n", + " for path in (\n", + " 'src/SDfunc/constants.jl', 'src/SDfunc/binning.jl', 'src/SDfunc/coalescence.jl',\n", + " ):\n", + " with open('Droplets.jl-' + path.replace('/','-'), 'w', encoding='utf-8') as fout:\n", + " with urllib.request.urlopen(BASE_URL + path) as fin:\n", + " fout.write(fin.read().decode('utf-8'))\n", + "\n", + " code_to_write = \"\"\"\n", + " using Pkg\n", + " Pkg.add([\"Combinatorics\", \"Distributions\", \"Random\", \"JSON\", \"Interpolations\"])\n", + " using Random,Combinatorics,Distributions\n", + " include(\"Droplets.jl-src-SDfunc-constants.jl\")\n", + " include(\"Droplets.jl-src-SDfunc-coalescence.jl\")\n", + " include(\"Droplets.jl-src-SDfunc-binning.jl\")\n", + " using JSON\n", + "\n", + " FT = Float64\n", + " setup = JSON.parsefile(\"./setup.json\")\n", + "\n", + " coagsetting_args = (\n", + " Ns = Int(setup[\"N_PART\"]),\n", + " Δt = setup[\"DT_SEC\"],\n", + " ΔV = setup[\"VOLUME_M3\"],\n", + " golovin_kernel_coeff = FT(setup[\"ADDITIVE_KERNEL_COEFF\"]),\n", + " n0 = FT(setup[\"NUM_CONC_PER_M3\"]),\n", + " R0 = FT(setup[\"DIAM_AT_MEAN_VOL_M\"]) / 2\n", + " )\n", + "\n", + " runsetting_args = (\n", + " num_bins = Int(setup[\"N_BINS\"]),\n", + " radius_bins_edges = setup[\"RADIUS_BIN_EDGES_M\"],\n", + " smooth = false,\n", + " output_steps = collect(0:setup[\"PLOT_TIME_STEP_SEC\"]:setup[\"T_MAX_SEC\"]),\n", + " scheme = none(), # Adaptive() not used\n", + " init_method = init_logarithmic\n", + " )\n", + "\n", + " coagsettings = coag_settings{FT}(;coagsetting_args...)\n", + " runsettings =run_settings{FT}(;runsetting_args...,binning_method = none())\n", + " numdens_set =run_settings{FT}(;runsetting_args...,binning_method = number_density)\n", + " massdens_set =run_settings{FT}(;runsetting_args...,binning_method = mass_density_lnr)\n", + "\n", + "\n", + " droplets = runsettings.init_method(coagsettings)\n", + " num_dens_bin::Matrix{FT} = zeros(FT, runsettings.num_bins, length(runsettings.output_steps))\n", + " mass_dens_bin::Matrix{FT} = zeros(FT, runsettings.num_bins, length(runsettings.output_steps))\n", + "\n", + " coag_data = coagulation_run{FT}(coagsettings.Ns)\n", + " for i in 1:length(runsettings.output_steps)\n", + " if i !=1\n", + " timestepper = (runsettings.output_steps[i]-runsettings.output_steps[i-1])/coagsettings.Δt\n", + " for _ in 1:timestepper\n", + " coalescence_timestep!(Serial(),runsettings.scheme,droplets,coag_data,coagsettings)\n", + " end\n", + " end\n", + " num_dens_bin[:,i] = binning_func(droplets,runsettings.output_steps[i],numdens_set,coagsettings)\n", + " mass_dens_bin[:,i] = binning_func(droplets,runsettings.output_steps[i],massdens_set,coagsettings)\n", + " end\n", + "\n", + " dict = Dict()\n", + " dict[\"Number Concentration (#/m^3/unit ln R)\"] = num_dens_bin\n", + " dict[\"Mass Density (kg/m^3/unit ln R)\"] = mass_dens_bin\n", + " json_string = JSON.json(dict)\n", + "\n", + " open(\"output.json\", \"w\") do file\n", + " write(file, json_string)\n", + " end\n", + " \"\"\"\n", + "\n", + " with open('script.jl', 'w', encoding='utf-8') as file:\n", + " file.write(code_to_write)\n", + "\n", + " super().__init__(SETTINGS)\n", + "\n", + " def __call__(self):\n", + " subprocess.run([\"julia\", \"--quiet\", \"script.jl\"], check=True)\n", + " with open('output.json', 'r', encoding='utf8') as file:\n", + " Droplets = json.load(file)\n", + " return Droplets" + ] + }, + { + "cell_type": "code", + "source": [ + "class DustPy(Run):\n", + " def __init__(self,settings):\n", + " super().__init__(settings)\n", + " from dustpy import Simulation\n", + " #DUSTPY USES CGS UNITS AND COLUMN AVERAGE DENSITIES, INPUT AND OUTPUT ARE SI\n", + " cm = 1.e2\n", + " g_per_cm3 = 1.\n", + "\n", + " m0 = 4/3 * np.pi * ((settings.DIAM_AT_MEAN_VOL_M*cm)/2)**3 * g_per_cm3 # ->cm, ->g\n", + " #kernel coefficient, changing to integrated column\n", + " self.a = settings.ADDITIVE_KERNEL_COEFF/(\n", + " settings.VOLUME_M3*m0*settings.NUM_CONC_PER_M3/cm**2)\n", + "\n", + " #Initialize\n", + " sim = Simulation()\n", + " sim.ini.grid.Nr = 3\n", + " numberpermassdecade = 60\n", + " sim.ini.grid.Nmbpd = numberpermassdecade\n", + " sim.ini.grid.mmin = 4/3 * np.pi * (\n", + " settings.RADIUS_BIN_EDGES_M[0]*1e2)**3 *g_per_cm3#m0\n", + " sim.ini.grid.mmax = 4/3 * np.pi * (\n", + " settings.RADIUS_BIN_EDGES_M[-1]*1e2)**3 *g_per_cm3 # ->cm,g\n", + " sim.ini.dust.allowDriftingParticles = True\n", + " sim.initialize()\n", + "\n", + " sim.dust.SigmaFloor[1, ...] = 0.\n", + " #These are water droplets, not planet dust!\n", + " sim.dust.rhos = g_per_cm3\n", + "\n", + " #Only Coagulation\n", + " del sim.integrator.instructions[1]\n", + " # Turning off gas source to not influence the time stepping\n", + " sim.gas.S.tot[...] = 0.\n", + " sim.gas.S.tot.updater = None\n", + " # Turning off dust advection\n", + " sim.dust.v.rad[...] = 0.\n", + " sim.dust.v.rad.updater = None\n", + " # Turning off fragmentation. Only sticking is considered\n", + " sim.dust.p.frag[...] = 0.\n", + " sim.dust.p.frag.updater = None\n", + " sim.dust.p.stick[...] = 1.\n", + " sim.dust.p.stick.updater = None\n", + " # Setting the constant kernel\n", + " sim.dust.kernel[...] = self.a * (sim.grid.m[:, None] + sim.grid.m[None, :])[None, ...]\n", + " sim.dust.kernel.updater = None\n", + " # Setting the initial dust surface density\n", + " sim.dust.Sigma[...] = sim.dust.SigmaFloor[...]\n", + "\n", + " m = sim.grid.m\n", + " A = np.mean(m[1:]/m[:-1])\n", + " B = 2 * (A-1) / (A+1)\n", + " sim.t = 1\n", + " #Exponential Distribution\n", + " # pylint: disable=invalid-unary-operand-type\n", + " sim.dust.Sigma[1, ...] = np.exp(-m/m0)/m0 *(B*m)*m*(settings.NUM_CONC_PER_M3/cm**2) #cm-2\n", + "\n", + " # Updating the simulation object\n", + " sim.update()\n", + "\n", + " plot_times = np.linspace(\n", + " start=settings.PLOT_TIME_STEP_SEC, stop=settings.T_MAX_SEC,\n", + " num=settings.N_PLOT_STEPS\n", + " )\n", + " snapshots = np.hstack(\n", + " [sim.t, plot_times]\n", + " )\n", + " sim.t.snapshots = snapshots\n", + " sim.writer.datadir = \"dustpy_\"\n", + " sim.writer.overwrite = True\n", + "\n", + " #for use during __call\n", + " self.sim = sim\n", + " self.settings = settings\n", + "\n", + "\n", + " def __call__(self):\n", + "\n", + " out = {'Number Concentration (#/m^3/unit ln R)':{}, 'Mass Density (kg/m^3/unit ln R)':{}}\n", + " #Conversions from cgs to si\n", + " kg = 1e-3\n", + " meter = 1e-2\n", + "\n", + " #run Simulation\n", + " self.sim.run()\n", + "\n", + " SigmaLinearHighRes = self.sim.writer.read.sequence(\n", + " \"dust.Sigma\")*kg/meter**2 #only 2 because cm2\n", + " mHighRes = self.sim.writer.read.sequence(\"grid.m\")*kg\n", + " aHighRes = self.sim.writer.read.sequence(\"dust.a\")[0,1,:]*meter\n", + "\n", + " for step in range(self.settings.N_PLOT_STEPS+1):\n", + " mass_density = np.full(self.settings.N_BINS, fill_value=0.)\n", + " number_density = np.full(self.settings.N_BINS, fill_value=0.)\n", + "\n", + " # bin data to settings.RADIUS_BIN_EDGES_M\n", + " k = 0\n", + " for i,radius in enumerate(aHighRes):\n", + " for j in range(k,len(self.settings.RADIUS_BIN_EDGES_M)-1):\n", + " if self.settings.RADIUS_BIN_EDGES_M[j] <= radius < (\n", + " self.settings.RADIUS_BIN_EDGES_M[j + 1]):\n", + " mass_density[j] += SigmaLinearHighRes[step, 1, i]\n", + " number_density[j] += SigmaLinearHighRes[step, 1, i]/mHighRes[1, i]\n", + " k = j\n", + " break\n", + " dlnr = np.log(self.settings.RADIUS_BIN_EDGES_M[1:])-np.log(\n", + " self.settings.RADIUS_BIN_EDGES_M[:-1])\n", + "\n", + " out['Mass Density (kg/m^3/unit ln R)'][step] = mass_density/dlnr\n", + " out['Number Concentration (#/m^3/unit ln R)'][step] = number_density/dlnr\n", + "\n", + " return out" + ], + "metadata": { + "id": "AyZyoU2CmJs4" + }, + "id": "AyZyoU2CmJs4", + "execution_count": 11, + "outputs": [] + }, + { + "cell_type": "markdown", + "id": "7436416c-7525-44f8-82d8-544a9e16039a", + "metadata": { + "id": "7436416c-7525-44f8-82d8-544a9e16039a" + }, + "source": [ + "### Create instances of the models with common setup" + ] + }, + { + "cell_type": "code", + "execution_count": 12, + "id": "b33d3ccb", + "metadata": { + "id": "b33d3ccb", + "outputId": "3ee99629-6f11-415e-8a65-aa5925f05610", + "colab": { + "base_uri": "https://localhost:8080/" + } + }, + "outputs": [ + { + "output_type": "stream", + "name": "stdout", + "text": [ + "Instantiating AnalyticalSoln\n", + "Instantiating RunPartMC\n", + "Instantiating RunPySDM\n", + "Instantiating DustPy\n", + "Instantiating NewModelRun\n", + "Instantiating RunDropletsJL\n", + "Running analytical...\n", + "Running PartMC...\n", + "Running PySDM...\n", + "Running DustPy...\n", + "\n", + "DustPy v1.0.8\n", + "\n", + "Documentation: https://stammler.github.io/dustpy/\n", + "PyPI: https://pypi.org/project/dustpy/\n", + "GitHub: https://github.com/stammler/dustpy/\n", + "\u001b[94m\n", + "Please cite Stammler & Birnstiel (2022).\u001b[0m\n", + "\n", + "\u001b[93mChecking for mass conservation...\n", + "\u001b[0m\n", + "\u001b[93m - Sticking:\u001b[0m\n", + "\u001b[0m max. rel. error: \u001b[92m 8.88e-14\u001b[0m\n", + " for particle collision\n", + " m[439] = 1.60e-02 g with\n", + " m[534] = 4.26e-01 g\u001b[0m\n", + "\u001b[93m - Full fragmentation:\u001b[0m\n", + "\u001b[0m max. rel. error: \u001b[92m 2.00e-15\u001b[0m\n", + " for particle collision\n", + " m[381] = 2.16e-03 g with\n", + " m[438] = 1.55e-02 g\u001b[0m\n", + "\u001b[93m - Erosion:\u001b[0m\n", + "\u001b[0m max. rel. error: \u001b[92m 3.44e-15\u001b[0m\n", + " for particle collision\n", + " m[436] = 1.44e-02 g with\n", + " m[535] = 4.41e-01 g\n", + "\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0000.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0001.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0002.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0003.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0004.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0005.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0006.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0007.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0008.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0009.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0010.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0011.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0012.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0013.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0014.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0015.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0016.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0017.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0018.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0019.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0020.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0021.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0022.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0023.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0024.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0025.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0026.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0027.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0028.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0029.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Writing file \u001b[94mdustpy_/data0030.hdf5\u001b[0m\n", + "Writing dump file \u001b[94mdustpy_/frame.dmp\u001b[0m\n", + "Execution time: \u001b[94m0:00:49\u001b[0m\n", + "Running ...\n", + "Running Droplets.jl...\n" + ] + } ], - "text/plain": [ - "" + "source": [ + "models = {\n", + " 'analytical': AnalyticalSoln(SETTINGS),\n", + " 'PartMC': RunPartMC(SETTINGS),\n", + " 'PySDM': RunPySDM(SETTINGS),\n", + " 'DustPy': DustPy(SETTINGS),\n", + " '': NewModelRun(SETTINGS) #NEW_MODEL\n", + "}\n", + "if shutil.which('julia') is not None: # pylint: disable=undefined-variable\n", + " models['Droplets.jl'] = RunDropletsJL(SETTINGS)\n", + "else:\n", + " warnings.warn('Julia not found, skipping Droplets.jl run')\n", + "output = {k: print(f\"Running {k}...\") or model() for k, model in models.items()}" ] - }, - "metadata": {}, - "output_type": "display_data" }, { - "data": { - "application/vnd.jupyter.widget-view+json": { - "model_id": "99aec71e64b7487c8407e0ee895275a5", - "version_major": 2, - "version_minor": 0 + "cell_type": "markdown", + "id": "c1d3a943-4523-4364-aa37-603dd2a45d6e", + "metadata": { + "id": "c1d3a943-4523-4364-aa37-603dd2a45d6e" }, - "text/plain": [ - "HTML(value=\"./tmpicvfm2vy.gif
\")" + "source": [ + "### use open_atmos_jupyter_utils to create comparison animation" ] - }, - "metadata": {}, - "output_type": "display_data" }, { - "data": { - "text/html": [ - "" + "cell_type": "code", + "execution_count": 13, + "id": "6cc84269", + "metadata": { + "id": "6cc84269", + "outputId": "dc996ce6-b3ed-4278-9968-432c41ac8947", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 1000, + "referenced_widgets": [ + "a70a8f1547324003bf5060e4a84ad1b7", + "2790c4f59c444e559a9eafc6d0efcf78", + "8bfad5ba5afa473ebf40426240c7d291", + "e491d2d597bf42218d52dd3e2d86fb64", + "66ea2bf94eb64790b2b53a0a7d28d1d0", + "dd3e2f8ce6f04a808e16ec6da1176ffc" + ] + } + }, + "outputs": [ + { + "output_type": "display_data", + "data": { + "text/plain": [ + "" + ], + "text/html": [ + "" + ] + }, + "metadata": {} + }, + { + "output_type": "display_data", + "data": { + "text/plain": [ + "Button(description='tmpfo29mctg.gif', style=ButtonStyle())" + ], + "application/vnd.jupyter.widget-view+json": { + "version_major": 2, + "version_minor": 0, + "model_id": "a70a8f1547324003bf5060e4a84ad1b7" + } + }, + "metadata": {} + }, + { + "output_type": "display_data", + "data": { + "text/plain": [ + "" + ], + "text/html": [ + "" + ] + }, + "metadata": {} + }, + { + "output_type": "display_data", + "data": { + "text/plain": [ + "Button(description='tmpp1j5x9dr.gif', style=ButtonStyle())" + ], + "application/vnd.jupyter.widget-view+json": { + "version_major": 2, + "version_minor": 0, + "model_id": "e491d2d597bf42218d52dd3e2d86fb64" + } + }, + "metadata": {} + } ], - "text/plain": [ - "" + "source": [ + "t_steps = np.divide(\n", + " np.array(range(0, int(SETTINGS.T_MAX_SEC+1), 1200)),\n", + " SETTINGS.PLOT_TIME_STEP_SEC\n", + ").astype(int)\n", + "radius_bins = np.array(models['PartMC'].rad_grid.centers)\n", + "kilograms_to_grams = 1e3\n", + "\n", + "markers = {\n", + " 'PartMC':'o',\n", + " 'PySDM':'x',\n", + " 'DustPy':'s',\n", + " 'Droplets.jl':'^',\n", + " '':'s' #NEW_MODEL\n", + "}\n", + "\n", + "class AnimFunc:\n", + " def __init__(self, binning_method):\n", + " self.binning_method = binning_method\n", + "\n", + " def __call__(self, frame):\n", + " if self.binning_method == 'Mass Density (kg/m^3/unit ln R)':\n", + " unit_adjustment = kilograms_to_grams\n", + " else:\n", + " unit_adjustment = 1\n", + "\n", + " if frame > SETTINGS.T_MAX_SEC/SETTINGS.PLOT_TIME_STEP_SEC:\n", + " frame = int(SETTINGS.T_MAX_SEC/SETTINGS.PLOT_TIME_STEP_SEC)\n", + "\n", + " t = list(range(0, int((frame+1)*SETTINGS.PLOT_TIME_STEP_SEC), 1200))\n", + "\n", + " def plot(step, color_analytic, color_monte_carlo, label=False):\n", + " for key in models:\n", + " xy = radius_bins, np.array(output[key][self.binning_method][step])*unit_adjustment\n", + " if key == 'analytical':\n", + " plt.plot(*xy, color=color_analytic, label=key if label else None)\n", + " else:\n", + " plt.plot(*xy, markers[key], ms=3, color=color_monte_carlo,\n", + " label=key if label else None)\n", + "\n", + " for t_sec in t:\n", + " tstep = int(t_sec/SETTINGS.PLOT_TIME_STEP_SEC)\n", + " idx = np.argmax(output['analytical'][self.binning_method][tstep])\n", + " text_height = 1.05*max(output['analytical'][self.binning_method][tstep])\n", + " plt.text(radius_bins[idx], text_height*unit_adjustment,\n", + " f't = {t_sec/60} min', fontsize=8)\n", + " plot(tstep, 'darkgrey', 'darkgrey')\n", + " plot(frame, 'black', None, label=True)\n", + "\n", + " plt.xscale(\"log\")\n", + " plt.xlabel(\"Radius (m)\")\n", + " plt.ylabel(self.binning_method.replace('^3', '$^3$').replace('kg','g'))\n", + " if self.binning_method != 'Number Concentration (#/m^3/unit ln R)':\n", + " plt.ylim([0,2])\n", + " plt.xlim([SETTINGS.RADIUS_BIN_EDGES_M[0],SETTINGS.RADIUS_BIN_EDGES_M[-1]])\n", + " plt.legend(loc='upper right')\n", + " plt.title(\"Time Evolution of Particle Size Distribution, t = \"\n", + " +f\"{frame*SETTINGS.PLOT_TIME_STEP_SEC//60:02d} min\")\n", + " return plt.gcf()\n", + "\n", + "for spectrum_type in output['analytical']:\n", + " show_anim(\n", + " plot_func=AnimFunc(spectrum_type),\n", + " frame_range=range(0, SETTINGS.N_PLOT_STEPS+20, 1),\n", + " )" ] - }, - "metadata": {}, - "output_type": "display_data" }, { - "data": { - "application/vnd.jupyter.widget-view+json": { - "model_id": "6dae1c266632428799f8ade2d5305a34", - "version_major": 2, - "version_minor": 0 + "cell_type": "markdown", + "id": "a5fe6e01-c736-45a7-87d1-436a72d53100", + "metadata": { + "id": "a5fe6e01-c736-45a7-87d1-436a72d53100" }, - "text/plain": [ - "HTML(value=\"./tmpbtjcjb9h.gif
\")" + "source": [ + "### sanity check for conservation of mass" ] - }, - "metadata": {}, - "output_type": "display_data" + }, + { + "cell_type": "code", + "execution_count": 14, + "id": "0eaf456b", + "metadata": { + "id": "0eaf456b" + }, + "outputs": [], + "source": [ + "for model in output:\n", + " if model == '':\n", + " continue\n", + " mass_spec = output[model]['Mass Density (kg/m^3/unit ln R)']\n", + " for output_step in range(SETTINGS.N_PLOT_STEPS+1):\n", + " np.testing.assert_approx_equal(\n", + " desired=1e-3, # kilograms\n", + " actual=np.dot(\n", + " mass_spec[output_step],\n", + " np.log(SETTINGS.RADIUS_BIN_EDGES_M[1:]) - np.log(SETTINGS.RADIUS_BIN_EDGES_M[:-1])\n", + " ),\n", + " significant=1.75\n", + " )" + ] + }, + { + "cell_type": "code", + "execution_count": 14, + "id": "fead341e-6092-428f-8dce-3b4660d04526", + "metadata": { + "id": "fead341e-6092-428f-8dce-3b4660d04526" + }, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": 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"_model_module_version": "1.5.0", + "_model_name": "ButtonStyleModel", + "_view_count": null, + "_view_module": "@jupyter-widgets/base", + "_view_module_version": "1.2.0", + "_view_name": "StyleView", + "button_color": null, + "font_weight": "" + } + } + } } - ], - "source": [ - "t_steps = np.divide(\n", - " np.array(range(0, int(SETTINGS.T_MAX_SEC+1), 1200)),\n", - " SETTINGS.PLOT_TIME_STEP_SEC\n", - ").astype(int)\n", - "radius_bins = np.array(models['PartMC'].rad_grid.centers)\n", - "kilograms_to_grams = 1e3\n", - "\n", - "\n", - "markers = {\n", - " 'PartMC':'o', \n", - " 'PySDM':'x',\n", - " 'Droplets.jl':'^',\n", - " 'DustPy':'s',\n", - " '':'s' #NEW_MODEL\n", - "} \n", - "\n", - "# use open_atmos_jupyter_utils to create comparison animation\n", - "class AnimFunc:\n", - " def __init__(self, binning_method):\n", - " self.binning_method = binning_method\n", - "\n", - " def __call__(self, frame):\n", - " if self.binning_method == 'Mass Density (kg/m^3/unit ln R)':\n", - " unit_adjustment = kilograms_to_grams\n", - " else:\n", - " unit_adjustment = 1\n", - "\n", - " if frame > SETTINGS.T_MAX_SEC/SETTINGS.PLOT_TIME_STEP_SEC:\n", - " frame = int(SETTINGS.T_MAX_SEC/SETTINGS.PLOT_TIME_STEP_SEC)\n", - "\n", - " t = list(range(0, int((frame+1)*SETTINGS.PLOT_TIME_STEP_SEC), 1200))\n", - "\n", - " def plot(step, color_analytic, color_monte_carlo, label=False):\n", - " for key in models:\n", - " xy = radius_bins, np.array(output[key][self.binning_method][step])*unit_adjustment\n", - " if key == 'analytical':\n", - " plt.plot(*xy, color=color_analytic, label=key if label else None)\n", - " else:\n", - " plt.plot(*xy, markers[key], ms=3, color=color_monte_carlo, \n", - " label=key if label else None)\n", - "\n", - " for t_sec in t:\n", - " tstep = int(t_sec/SETTINGS.PLOT_TIME_STEP_SEC)\n", - " idx = np.argmax(output['analytical'][self.binning_method][tstep])\n", - " text_height = 1.05*max(output['analytical'][self.binning_method][tstep])\n", - " plt.text(radius_bins[idx], text_height*unit_adjustment, \n", - " f't = {t_sec/60} min', fontsize=8)\n", - " plot(tstep, 'darkgrey', 'darkgrey')\n", - " plot(frame, 'black', None, label=True)\n", - " \n", - " plt.xscale(\"log\")\n", - " plt.xlabel(\"Radius (m)\")\n", - " plt.ylabel(self.binning_method.replace('^3', '$^3$').replace('kg','g'))\n", - " if self.binning_method != 'Number Concentration (#/m^3/unit ln R)':\n", - " plt.ylim([0,2])\n", - " plt.xlim([SETTINGS.RADIUS_BIN_EDGES_M[0],SETTINGS.RADIUS_BIN_EDGES_M[-1]])\n", - " plt.legend(loc='upper right')#, bbox_to_anchor=(1, 0.5))\n", - " plt.title(\"Time Evolution of Particle Size Distribution, t = \"\n", - " +f\"{frame*SETTINGS.PLOT_TIME_STEP_SEC//60:02d} min\")\n", - " return plt.gcf()\n", - "\n", - "for spectrum_type in output['analytical']:\n", - " show_anim(\n", - " plot_func=AnimFunc(spectrum_type),\n", - " frame_range=range(0, SETTINGS.N_PLOT_STEPS+20, 1),\n", - " )" - ] - }, - { - "cell_type": "code", - "execution_count": 60, - "id": "0eaf456b", - "metadata": {}, - "outputs": [], - "source": [ - "# sanity check for conservation of mass\n", - "\n", - "for model in output:\n", - " if model == '':\n", - " continue\n", - " mass_spec = output[model]['Mass Density (kg/m^3/unit ln R)']\n", - " for output_step in range(SETTINGS.N_PLOT_STEPS+1):\n", - " np.testing.assert_approx_equal(\n", - " desired=1e-3, # kilograms\n", - " actual=np.dot(\n", - " mass_spec[output_step],\n", - " np.log(SETTINGS.RADIUS_BIN_EDGES_M[1:]) - np.log(SETTINGS.RADIUS_BIN_EDGES_M[:-1])\n", - " ),\n", - " significant=1.75\n", - " )\n" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 3 (ipykernel)", - "language": "python", - "name": "python3" }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.9.12" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} + "nbformat": 4, + "nbformat_minor": 5 +} \ No newline at end of file From b3f7a3ec69fc1476490e74225eedf1da83a893c3 Mon Sep 17 00:00:00 2001 From: emmacware Date: Mon, 14 Apr 2025 11:43:55 +0200 Subject: [PATCH 6/6] include them this time.. --- examples/additive_coag_comparison.ipynb | 216 ++++++++++++------------ 1 file changed, 108 insertions(+), 108 deletions(-) diff --git a/examples/additive_coag_comparison.ipynb b/examples/additive_coag_comparison.ipynb index f863e8bb..999bfcf5 100644 --- a/examples/additive_coag_comparison.ipynb +++ b/examples/additive_coag_comparison.ipynb @@ -596,6 +596,12 @@ }, { "cell_type": "code", + "execution_count": 11, + "id": "AyZyoU2CmJs4", + "metadata": { + "id": "AyZyoU2CmJs4" + }, + "outputs": [], "source": [ "class DustPy(Run):\n", " def __init__(self,settings):\n", @@ -708,13 +714,7 @@ " out['Number Concentration (#/m^3/unit ln R)'][step] = number_density/dlnr\n", "\n", " return out" - ], - "metadata": { - "id": "AyZyoU2CmJs4" - }, - "id": "AyZyoU2CmJs4", - "execution_count": 11, - "outputs": [] + ] }, { "cell_type": "markdown", @@ -731,16 +731,16 @@ "execution_count": 12, "id": "b33d3ccb", "metadata": { - "id": "b33d3ccb", - "outputId": "3ee99629-6f11-415e-8a65-aa5925f05610", "colab": { "base_uri": "https://localhost:8080/" - } + }, + "id": "b33d3ccb", + "outputId": "3ee99629-6f11-415e-8a65-aa5925f05610" }, "outputs": [ { - "output_type": "stream", "name": "stdout", + "output_type": "stream", "text": [ "Instantiating AnalyticalSoln\n", "Instantiating RunPartMC\n", @@ -877,8 +877,6 @@ "execution_count": 13, "id": "6cc84269", "metadata": { - "id": "6cc84269", - "outputId": "dc996ce6-b3ed-4278-9968-432c41ac8947", "colab": { "base_uri": "https://localhost:8080/", "height": 1000, @@ -890,60 +888,62 @@ "66ea2bf94eb64790b2b53a0a7d28d1d0", "dd3e2f8ce6f04a808e16ec6da1176ffc" ] - } + }, + "id": "6cc84269", + "outputId": "dc996ce6-b3ed-4278-9968-432c41ac8947" }, "outputs": [ { - "output_type": 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