diff --git a/.github/workflows/tests.yml b/.github/workflows/tests.yml
index cee90df82..ef4124a3d 100644
--- a/.github/workflows/tests.yml
+++ b/.github/workflows/tests.yml
@@ -110,22 +110,26 @@ jobs:
platform: [ubuntu-24.04, macos-13, macos-14, windows-latest]
python-version: ["3.9", "3.12"]
test-suite: ["unit_tests/!(dynamics)", "unit_tests/dynamics/!(collisions)", "unit_tests/dynamics/collisions", "smoke_tests/no_env", "smoke_tests/box", "smoke_tests/parcel_a", "smoke_tests/parcel_b", "smoke_tests/parcel_c", "smoke_tests/parcel_d", "smoke_tests/kinematic_1d", "smoke_tests/kinematic_2d", "tutorials_tests"]
- exclude:
- - platform: "macos-14"
- python-version: "3.9"
- - test-suite: "devops_tests"
- python-version: "3.9"
- # TODO #1406
- - platform: "macos-14"
- test-suite: "smoke_tests/box"
- - platform: "macos-14"
- test-suite: "smoke_tests/parcel_a"
- - platform: "macos-14"
+ include:
+ - platform: "windows-latest"
+ python-version: "3.12"
test-suite: "smoke_tests/parcel_d"
- - platform: "macos-14"
- test-suite: "smoke_tests/kinematic_2d"
- - platform: "macos-14"
- test-suite: "unit_tests/!(dynamics)"
+# exclude:
+# - platform: "macos-14"
+# python-version: "3.9"
+# - test-suite: "devops_tests"
+# python-version: "3.9"
+# # TODO #1406
+# - platform: "macos-14"
+# test-suite: "smoke_tests/box"
+# - platform: "macos-14"
+# test-suite: "smoke_tests/parcel_a"
+# - platform: "macos-14"
+# test-suite: "smoke_tests/parcel_d"
+# - platform: "macos-14"
+# test-suite: "smoke_tests/kinematic_2d"
+# - platform: "macos-14"
+# test-suite: "unit_tests/!(dynamics)"
fail-fast: false
runs-on: ${{ matrix.platform }}
timeout-minutes: ${{ startsWith(matrix.platform, 'windows-') && 35 || 30 }}
diff --git a/PySDM/physics/constants_defaults.py b/PySDM/physics/constants_defaults.py
index 439738ce8..885364f03 100644
--- a/PySDM/physics/constants_defaults.py
+++ b/PySDM/physics/constants_defaults.py
@@ -6,7 +6,6 @@
"""
import numpy as np
-from chempy import Substance
from scipy import constants as sci
from .constants import ( # pylint: disable=unused-import
@@ -29,142 +28,246 @@
)
from .trivia import Trivia
-# https://physics.nist.gov/cgi-bin/Star/compos.pl?matno=104
-Md = (
- 0.755267 * Substance.from_formula("N2").mass * si.gram / si.mole
- + 0.231781 * Substance.from_formula("O2").mass * si.gram / si.mole
- + 0.012827 * Substance.from_formula("Ar").mass * si.gram / si.mole
- + 0.000124 * Substance.from_formula("C").mass * si.gram / si.mole
-)
+Md = 28.966 * si.g / si.mole
+"""
+A "twenty-first century" value of dry-air molar mass recommended in
+[Gatley et al. 2008](https://doi.org/10.1080/10789669.2008.10391032)
+"""
-# https://web.archive.org/web/20200729203147/https://nucleus.iaea.org/rpst/documents/VSMOW_SLAP.pdf
-# heavy-to-light isotope abundance ratios
VSMOW_R_2H = 155.76 * PPM
+"""
+[IAEA VSMOW-SLAP](https://web.archive.org/web/20200729203147/https://nucleus.iaea.org/rpst/documents/VSMOW_SLAP.pdf)
+heavy-to-light isotope abundance ratio for deuterium
+""" # pylint: disable=line-too-long
VSMOW_R_3H = 1.85e-11 * PPM
+"""
+〃 for tritium
+"""
VSMOW_R_18O = 2005.20 * PPM
+"""
+〃 for oxygen-18
+"""
VSMOW_R_17O = 379.9 * PPM
+"""
+〃 for oxygen-17
+"""
-# https://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl?ele=H
M_1H = 1.00782503224 * si.g / si.mole
+"""
+hydrogen atomic weight as in
+[NIST database](https://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl?ele=H)
+"""
M_2H = 2.01410177812 * si.g / si.mole
+"""
+deuterium atomic weight as in
+[NIST database](https://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl?ele=H)
+"""
M_3H = 3.01604927792 * si.g / si.mole
+"""
+tritium atomic weight as in
+[NIST database](https://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl?ele=H)
+"""
-# https://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl?ele=O
M_16O = 15.99491461957 * si.g / si.mole
+"""
+oxygen-16 atomic weight as in
+[NIST database](https://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl?ele=O)
+"""
M_17O = 16.99913175651 * si.g / si.mole
+"""
+oxygen-17 atomic weight as in
+[NIST database](https://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl?ele=O)
+"""
M_18O = 17.99915961287 * si.g / si.mole
+"""
+oxygen-18 atomic weight as in
+[NIST database](https://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl?ele=O)
+"""
R_str = sci.R * si.joule / si.kelvin / si.mole
-N_A = sci.N_A / si.mole
-
-D0 = 2.26e-5 * si.metre**2 / si.second
-D_exp = 1.81
+""" universal gas constant (value from SciPy) """
-K0 = 2.4e-2 * si.joules / si.metres / si.seconds / si.kelvins
+N_A = sci.N_A / si.mole
+""" Avogadro constant (value from SciPy) """
-# mass and heat accommodation coefficients
MAC = 1.0
+""" mass accommodation coefficient of unity as recommended in
+[Laaksonen et al. 2005](https://doi.org/10.5194/acp-5-461-2005) """
HAC = 1.0
-
-p1000 = 1000 * si.hectopascals
-c_pd = 1005 * si.joule / si.kilogram / si.kelvin
-c_pv = 1850 * si.joule / si.kilogram / si.kelvin
-g_std = sci.g * si.metre / si.second**2
-
-c_pw = 4218 * si.joule / si.kilogram / si.kelvin
+""" thermal accommodation coefficient of uniy as recommended in
+[Laaksonen et al. 2005](https://doi.org/10.5194/acp-5-461-2005) """
ARM_C1 = 6.1094 * si.hectopascal
+""" [August](https://doi.org/10.1002/andp.18280890511) Roche Magnus formula coefficients
+(values from [Alduchov & Eskridge 1996](https://doi.org/10.1175%2F1520-0450%281996%29035%3C0601%3AIMFAOS%3E2.0.CO%3B2))
+""" # pylint: disable=line-too-long
ARM_C2 = 17.625 * si.dimensionless
+""" 〃 """
ARM_C3 = 243.04 * si.kelvin
+""" 〃 """
FWC_C0 = 6.115836990e000 * si.hPa
+""" [Flatau et al. 1992](https://doi.org/10.1175/1520-0450(1992)031%3C1507:PFTSVP%3E2.0.CO;2)
+polynomial fit coefficients """
FWC_C1 = 0.444606896e000 * si.hPa / si.K
+""" 〃 """
FWC_C2 = 0.143177157e-01 * si.hPa / si.K**2
+""" 〃 """
FWC_C3 = 0.264224321e-03 * si.hPa / si.K**3
+""" 〃 """
FWC_C4 = 0.299291081e-05 * si.hPa / si.K**4
+""" 〃 """
FWC_C5 = 0.203154182e-07 * si.hPa / si.K**5
+""" 〃 """
FWC_C6 = 0.702620698e-10 * si.hPa / si.K**6
+""" 〃 """
FWC_C7 = 0.379534310e-13 * si.hPa / si.K**7
+""" 〃 """
FWC_C8 = -0.321582393e-15 * si.hPa / si.K**8
-
+""" 〃 """
FWC_I0 = 6.098689930e000 * si.hPa
+""" 〃 """
FWC_I1 = 0.499320233e000 * si.hPa / si.K
+""" 〃 """
FWC_I2 = 0.184672631e-01 * si.hPa / si.K**2
+""" 〃 """
FWC_I3 = 0.402737184e-03 * si.hPa / si.K**3
+""" 〃 """
FWC_I4 = 0.565392987e-05 * si.hPa / si.K**4
+""" 〃 """
FWC_I5 = 0.521693933e-07 * si.hPa / si.K**5
+""" 〃 """
FWC_I6 = 0.307839583e-09 * si.hPa / si.K**6
+""" 〃 """
FWC_I7 = 0.105785160e-11 * si.hPa / si.K**7
+""" 〃 """
FWC_I8 = 0.161444444e-14 * si.hPa / si.K**8
+""" 〃 """
L77W_A0 = 6.107799961 * si.hPa
+""" polynomial fits from
+[Lowe et al. 1977](https://doi.org/10.1175/1520-0450(1977)016%3C0100:AAPFTC%3E2.0.CO;2) """
L77W_A1 = 4.436518521e-1 * si.hPa / si.K
+""" 〃 """
L77W_A2 = 1.428945805e-2 * si.hPa / si.K**2
+""" 〃 """
L77W_A3 = 2.650648471e-4 * si.hPa / si.K**3
+""" 〃 """
L77W_A4 = 3.031240396e-6 * si.hPa / si.K**4
+""" 〃 """
L77W_A5 = 2.034080948e-8 * si.hPa / si.K**5
+""" 〃 """
L77W_A6 = 6.136820929e-11 * si.hPa / si.K**6
-
+""" 〃 """
L77I_A0 = 6.109177956 * si.hPa
+""" 〃 """
L77I_A1 = 5.03469897e-1 * si.hPa / si.K
+""" 〃 """
L77I_A2 = 1.886013408e-2 * si.hPa / si.K**2
+""" 〃 """
L77I_A3 = 4.176223716e-4 * si.hPa / si.K**3
+""" 〃 """
L77I_A4 = 5.824720280e-6 * si.hPa / si.K**4
+""" 〃 """
L77I_A5 = 4.838803174e-8 * si.hPa / si.K**5
+""" 〃 """
L77I_A6 = 1.838826904e-10 * si.hPa / si.K**6
+""" 〃 """
-rho_w = 1 * si.kilograms / si.litres
rho_i = 916.8 * si.kg / si.metres**3
+""" density of ice, for discussion, see [Pounder 1965](https://doi.org/10.1016/C2013-0-08278-3) """
+rho_w = 1 * si.kilograms / si.litres
+""" 〃 of water, 〃 """
+
pH_w = 7
-sgm_w = 0.072 * si.joule / si.metre**2
+""" pH of pure water """
-p_tri = 611.73 * si.pascal
+p1000 = 1000 * si.hectopascals
+""" 1000 hPa reference pressure as in the definition of potential temperature"""
+
+p_tri = 611.657 * si.pascal
+""" water triple point characteristics as recommended in
+[Murphy & Koop 2005](https://doi.org/10.1256/qj.04.94) """
T_tri = 273.16 * si.kelvin
-l_tri = 2.5e6 * si.joule / si.kilogram
+""" 〃 """
+L_tri = 45051 * si.joule / si.mol
+""" 〃 """
-# Seinfeld and Pandis, Appendix 16.1, 16A.2
-# default constant values according to Lowe et al. (2019), from ICPM code
l_l19_a = 0.167 * si.dimensionless
+""" [Seinfeld and Pandis](https://archive.org/details/0237-pdf-atmospheric-chemistry-and-physics-2nd-ed-j.-seinfeld-s.-pandis-wiley-2006-ww)
+Appendix 16.1, 16A.2 default constant values according to
+[Lowe et al. 2019](https://doi.org/10.1038/s41467-019-12982-0),
+from ICPM code """ # pylint: disable=line-too-long
l_l19_b = 3.65e-4 / si.kelvin
+""" 〃 """
-# Thermal diffusivity constants from Lowe et al. (2019)
k_l19_a = 4.2e-3 * si.joules / si.metres / si.seconds / si.kelvins
+""" Thermal diffusivity constants from
+[Lowe et al. 2019](https://doi.org/10.1038/s41467-019-12982-0) """
k_l19_b = 1.0456 * si.dimensionless
+""" 〃 """
k_l19_c = 0.017 / si.kelvin
+""" 〃 """
-# Delta v for diffusivity in Pruppacher & Klett eq. 13-14
dv_pk05 = 0.0 * si.metres
+""" Delta v for diffusivity in [Pruppacher & Klett](https://doi.org/10.1007/978-0-306-48100-0)
+eq. 13-14 """
-# Seinfeld & Pandis eq. 15.65 (Hall & Pruppacher 1976)
d_l19_a = 0.211e-4 * si.metre**2 / si.second
+""" [Seinfeld & Pandis](https://archive.org/details/0237-pdf-atmospheric-chemistry-and-physics-2nd-ed-j.-seinfeld-s.-pandis-wiley-2006-ww)
+eq. 15.65
+[Hall & Pruppacher 1976](https://doi.org/10.1175/1520-0469(1976)033%3C1995:TSOIPF%3E2.0.CO;2)
+""" # pylint: disable=line-too-long
d_l19_b = 1.94
+""" 〃 """
MK05_ICE_C1 = 1 * si.Pa
+""" [Murphy and Koop 2005](https://doi.org/10.1256/qj.04.94) """
MK05_ICE_C2 = 9.550426 * si.dimensionless
+""" 〃 """
MK05_ICE_C3 = 5723.265 * si.K
+""" 〃 """
MK05_ICE_C4 = 3.53068 * si.dimensionless
+""" 〃 """
MK05_ICE_C5 = 1 * si.K
+""" 〃 """
MK05_ICE_C6 = 0.00728332 / si.K
-
+""" 〃 """
MK05_LIQ_C1 = 1 * si.Pa
+""" 〃 """
MK05_LIQ_C2 = 54.842763 * si.dimensionless
+""" 〃 """
MK05_LIQ_C3 = 6763.22 * si.K
+""" 〃 """
MK05_LIQ_C4 = 4.210 * si.dimensionless
+""" 〃 """
MK05_LIQ_C5 = 1 * si.K
+""" 〃 """
MK05_LIQ_C6 = 0.000367 / si.K
+""" 〃 """
MK05_LIQ_C7 = 0.0415 / si.K
+""" 〃 """
MK05_LIQ_C8 = 218.8 * si.K
+""" 〃 """
MK05_LIQ_C9 = 53.878 * si.dimensionless
+""" 〃 """
MK05_LIQ_C10 = 1331.22 * si.K
+""" 〃 """
MK05_LIQ_C11 = 9.44523 * si.dimensionless
+""" 〃 """
MK05_LIQ_C12 = 1 * si.K
+""" 〃 """
MK05_LIQ_C13 = 0.014025 / si.K
+""" 〃 """
-# standard pressure and temperature (ICAO)
T_STP = (sci.zero_Celsius + 15) * si.kelvin
+""" standard temperature (ICAO) ... """
p_STP = 101325 * si.pascal
+""" ... and pressure """
ROOM_TEMP = T_tri + 25 * si.K
+""" room temperature """
+
dT_u = si.K
sgm_org = np.nan
@@ -181,187 +284,338 @@
NIEMAND_A = np.nan
NIEMAND_B = np.nan
+ABIFM_UNIT = 1 / si.cm**2 / si.s
+""" ice nucleation rate using ABIFM
+([Knopf & Alpert 2013](https://doi.org/10.1039/C3FD00035D)) """
ABIFM_M = np.inf
+""" 〃 """
ABIFM_C = np.inf
-ABIFM_UNIT = 1 / si.cm**2 / si.s
+""" 〃 """
J_HET = np.nan
+""" constant ice nucleation rate """
STRAUB_E_D1 = 0.04 * si.cm
+""" [Straub et al. 2010](https://doi.org/10.1175/2009JAS3175.1) """
STRAUB_MU2 = 0.095 * si.cm
+""" 〃 """
VEDDER_1987_b = 89 / 880
+""" [Vedder 1987](https://doi.org/10.1119/1.15018) """
VEDDER_1987_A = 993 / 880 / 3 / VEDDER_1987_b
+""" 〃 """
-""" [eq. 5 in Merlivat and Nief 1967](https://doi.org/10.3402/tellusa.v19i1.9756) """
MERLIVAT_NIEF_1967_ALPHA_L_2H_T2 = 15013 * si.K**2
+""" [eq. 5 in Merlivat and Nief 1967](https://doi.org/10.3402/tellusa.v19i1.9756) """
MERLIVAT_NIEF_1967_ALPHA_L_2H_T1 = 0 * si.K
+""" 〃 """
MERLIVAT_NIEF_1967_ALPHA_L_2H_T0 = -0.1
-
+""" 〃 """
MERLIVAT_NIEF_1967_ALPHA_I_2H_T2 = 16289 * si.K**2
+""" 〃 """
MERLIVAT_NIEF_1967_ALPHA_I_2H_T1 = 0 * si.K
+""" 〃 """
MERLIVAT_NIEF_1967_ALPHA_I_2H_T0 = -0.0945
+""" 〃 """
-""" [Lamb et al. 2017](https://doi.org/10.1073/pnas.1618374114) """
LAMB_ET_AL_2017_ALPHA_I_2H_T2 = 13525 * si.K**2
+""" [Lamb et al. 2017](https://doi.org/10.1073/pnas.1618374114) """
LAMB_ET_AL_2017_ALPHA_I_2H_T1 = 0 * si.K
+""" 〃 """
LAMB_ET_AL_2017_ALPHA_I_2H_T0 = -0.0559
+""" 〃 """
-""" [Ellehoj et al. 2013](https://doi.org/10.1002/rcm.6668) """
ELLEHOJ_ET_AL_2013_ALPHA_I_2H_T2 = 48888 * si.K**2
+""" [Ellehoj et al. 2013](https://doi.org/10.1002/rcm.6668) """
ELLEHOJ_ET_AL_2013_ALPHA_I_2H_T1 = -203.1 * si.K
+""" 〃 """
ELLEHOJ_ET_AL_2013_ALPHA_I_2H_T0 = 0.2133
+""" 〃 """
-""" [Majoube 1971](https://doi.org/10.1051/jcp/1971681423) """
-# values taken from Jouzel 1986 (eqs. 1)
MAJOUBE_1971_ALPHA_L_18O_T2 = 1137 * si.K**2
+""" [Majoube 1971](https://doi.org/10.1051/jcp/1971681423)
+(values taken from [Jouzel 1986](https://doi.org/10.1016/b978-0-444-42225-5.50007-3)) """
MAJOUBE_1971_ALPHA_L_18O_T1 = -0.4156 * si.K
+""" 〃 """
MAJOUBE_1971_ALPHA_L_18O_T0 = -0.0020667
-
-# values taken from Jouzel 1986 (eqs. 2)
+""" 〃 """
MAJOUBE_1971_ALPHA_L_2H_T2 = 24844 * si.K**2
+""" 〃 """
MAJOUBE_1971_ALPHA_L_2H_T1 = -76.248 * si.K
+""" 〃 """
MAJOUBE_1971_ALPHA_L_2H_T0 = 0.052612
+""" 〃 """
-""" [Majoube 1970](https://doi.org/10.1038/2261242a0) """
MAJOUBE_1970_ALPHA_I_18O_T2 = 0 * si.K**2
+""" [Majoube 1970](https://doi.org/10.1038/2261242a0) """
MAJOUBE_1970_ALPHA_I_18O_T1 = 11.839 * si.K
+""" 〃 """
MAJOUBE_1970_ALPHA_I_18O_T0 = -0.028224
+""" 〃 """
-""" [Van Hook 1968](https://doi.org/10.1021/j100850a028) """
VAN_HOOK_1968_ALPHA_I_2H_A = 11484.5 * si.K**2
+""" [Van Hook 1968](https://doi.org/10.1021/j100850a028) """
VAN_HOOK_1968_ALPHA_I_2H_B = 35.3315 * si.K
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_2H_C = -0.159290
-
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_2H_A = 26398.8 * si.K**2
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_2H_B = -89.6065 * si.K
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_2H_C = 0.075802
-
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_18O_A = 1740.59 * si.K**2
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_18O_B = 2.2965 * si.K
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_18O_C = -0.005793
-
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_18O_A = 1991.1 * si.K**2
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_18O_B = -4.1887 * si.K
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_18O_C = 0.001197
-
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_17O_A = 933.651 * si.K**2
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_17O_B = 1.0953 * si.K
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_17O_C = -0.002805
-
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_17O_A = 1057.8 * si.K**2
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_17O_B = -2.24 * si.K
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_17O_C = 0.000668
-
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_3H_A = 18464.5 * si.K**2
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_3H_B = 31.0436 * si.K
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_3H_C = -0.20752
-
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_3H_A = 37813.2 * si.K**2
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_3H_B = -136.751 * si.K
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_3H_C = 0.124096
-
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_TOT_A = 33453.7 * si.K**2
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_TOT_B = 62.4058 * si.K
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_TOT_C = -0.395542
-
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_TOT_A = 68702.3 * si.K**2
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_TOT_B = -244.687 * si.K
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_TOT_C = 0.224388
-
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_DOT_A = 27722.4 * si.K**2
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_DOT_B = 66.5930 * si.K
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_DOT_C = -0.351698
-
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_DOT_A = 59313.4 * si.K**2
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_DOT_B = -204.941 * si.K
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_DOT_C = 0.182686
-
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_DOD_A = 21577.6 * si.K**2
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_DOD_B = 69.3358 * si.K
+""" 〃 """
VAN_HOOK_1968_ALPHA_I_DOD_C = -0.305394
-
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_DOD_A = 49314.9 * si.K**2
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_DOD_B = -164.266 * si.K
+""" 〃 """
VAN_HOOK_1968_ALPHA_L_DOD_C = 0.140049
+""" 〃 """
-""" [Horita and Wesolowski 1994](https://doi.org/10.1016/0016-7037(94)90096-5) """
HORITA_AND_WESOLOWSKI_1994_ALPHA_L_18O_T3 = 1e-3 * 0.35041e9 * si.K**3
+""" [Horita and Wesolowski 1994](https://doi.org/10.1016/0016-7037(94)90096-5) """
HORITA_AND_WESOLOWSKI_1994_ALPHA_L_18O_T2 = 1e-3 * -1.6664e6 * si.K**2
+""" 〃 """
HORITA_AND_WESOLOWSKI_1994_ALPHA_L_18O_T1 = 1e-3 * 6.7123e3 * si.K
+""" 〃 """
HORITA_AND_WESOLOWSKI_1994_ALPHA_L_18O_T0 = 1e-3 * -7.685
-
+""" 〃 """
HORITA_AND_WESOLOWSKI_1994_ALPHA_L_2H_T3 = 1e-3 * 2.9992e9 * si.K**3
+""" 〃 """
HORITA_AND_WESOLOWSKI_1994_ALPHA_L_2H_T_0 = 1e-3 * -161.04
+""" 〃 """
HORITA_AND_WESOLOWSKI_1994_ALPHA_L_2H_T_1 = 1e-3 * 794.84e-3 / si.K
+""" 〃 """
HORITA_AND_WESOLOWSKI_1994_ALPHA_L_2H_T_2 = 1e-3 * -1620.1e-6 / si.K**2
+""" 〃 """
HORITA_AND_WESOLOWSKI_1994_ALPHA_L_2H_T_3 = 1e-3 * 1158.8e-9 / si.K**3
+""" 〃 """
-""" [Barkan and Luz 2005](https://doi.org/10.1002/rcm.2250) """
BARKAN_AND_LUZ_2005_EXPONENT = 0.529
+""" [Barkan and Luz 2005](https://doi.org/10.1002/rcm.2250) """
-""" eq. 11 in [Barkan and Luz 2007](https://doi.org/10.1002/rcm.3180) """
BARKAN_AND_LUZ_2007_EXCESS_18O_COEFF = 0.528
+""" eq. 11 in [Barkan and Luz 2007](https://doi.org/10.1002/rcm.3180) """
-""" [Craig 1961](https://doi.org/10.1126/science.133.3465.1702) """
CRAIG_1961_SLOPE_COEFF = 8
+""" [Craig 1961](https://doi.org/10.1126/science.133.3465.1702) """
CRAIG_1961_INTERCEPT_COEFF = 10 * PER_MILLE
+""" 〃 """
-""" [Bohren 1987](https://doi.org/10.1119/1.15109) """
asymmetry_g = 0.85 # forward scattering from cloud droplets
+""" [Bohren 1987](https://doi.org/10.1119/1.15109) """
-""" [Grabowski et al. 2011](https://doi.org/10.1016/j.atmosres.2010.10.020) """
diffusion_thermics_D_G11_A = 1e-5 * si.m**2 / si.s
+""" [Grabowski et al. 2011](https://doi.org/10.1016/j.atmosres.2010.10.020) """
diffusion_thermics_D_G11_B = 0.015 / si.K
+""" 〃 """
diffusion_thermics_D_G11_C = -1.9
-
+""" 〃 """
diffusion_thermics_K_G11_A = 1.5e-11 * si.W / si.m / si.K**4
+""" 〃 """
diffusion_thermics_K_G11_B = -4.8e-8 * si.W / si.m / si.K**3
+""" 〃 """
diffusion_thermics_K_G11_C = 1e-4 * si.W / si.m / si.K**2
+""" 〃 """
diffusion_thermics_K_G11_D = -3.9e-4 * si.W / si.m / si.K
+""" 〃 """
+PRUPPACHER_RASMUSSEN_1979_XTHRES = 1.4 * si.dimensionless
"""
[Pruppacher & Rasmussen 1979](https://doi.org/10.1175/1520-0469(1979)036%3C1255:AWTIOT%3E2.0.CO;2)
"""
-PRUPPACHER_RASMUSSEN_1979_XTHRES = 1.4 * si.dimensionless
PRUPPACHER_RASMUSSEN_1979_CONSTSMALL = 1.0 * si.dimensionless
+""" 〃 """
PRUPPACHER_RASMUSSEN_1979_COEFFSMALL = 0.108 * si.dimensionless
+""" 〃 """
PRUPPACHER_RASMUSSEN_1979_POWSMALL = 2 * si.dimensionless
+""" 〃 """
PRUPPACHER_RASMUSSEN_1979_CONSTBIG = 0.78 * si.dimensionless
+""" 〃 """
PRUPPACHER_RASMUSSEN_1979_COEFFBIG = 0.308 * si.dimensionless
+""" 〃 """
-"""[Zografos et al. 1987](https://doi.org/10.1016/0045-7825(87)90003-X) Table 1"""
ZOGRAFOS_1987_COEFF_T3 = 2.5914e-15 * si.K ** (-3) * si.Pa * si.s
+"""[Zografos et al. 1987](https://doi.org/10.1016/0045-7825(87)90003-X) Table 1"""
ZOGRAFOS_1987_COEFF_T2 = -1.4346e-11 * si.K ** (-2) * si.Pa * si.s
+""" 〃 """
ZOGRAFOS_1987_COEFF_T1 = 5.0523e-8 / si.K * si.Pa * si.s
+""" 〃 """
ZOGRAFOS_1987_COEFF_T0 = 4.1130e-6 * si.Pa * si.s
+""" 〃 """
-
+FROESSLING_1938_A = 1
""" Froessling 1938 coefficients as given on page 61 in
[Squires 1952](https://doi.org/10.1071/CH9520059) """
-FROESSLING_1938_A = 1
FROESSLING_1938_B = 0.276
+""" 〃 """
-
-""" fit coefficients from [Hellmann & Harvey 2020](https://doi.org/10.1029/2020GL089999) """
HELLMANN_HARVEY_T_UNIT = 100 * si.K
+""" fit coefficients from [Hellmann & Harvey 2020](https://doi.org/10.1029/2020GL089999) """
HELLMANN_HARVEY_EQ6_COEFF0 = 0.98258
+""" 〃 """
HELLMANN_HARVEY_EQ6_COEFF1 = -0.02546
+""" 〃 """
HELLMANN_HARVEY_EQ6_COEFF2 = 0.02421
+""" 〃 """
HELLMANN_HARVEY_EQ7_COEFF0 = 0.98284
+""" 〃 """
HELLMANN_HARVEY_EQ7_COEFF1 = 0.003517
+""" 〃 """
HELLMANN_HARVEY_EQ7_COEFF2 = -0.001996
+""" 〃 """
HELLMANN_HARVEY_EQ8_COEFF0 = 0.96671
+""" 〃 """
HELLMANN_HARVEY_EQ8_COEFF1 = 0.007406
+""" 〃 """
HELLMANN_HARVEY_EQ8_COEFF2 = -0.004861
+""" 〃 """
-
-""" terminal velocity formulation from Rogers & Yau (equations: 8.5, 8.6, 8.8) """
ROGERS_YAU_TERM_VEL_SMALL_K = 1.19e6 / si.cm / si.s
+""" terminal velocity formulation from
+[Rogers & Yau 1989](https://archive.org/details/shortcourseinclo0000roge_m3k2)
+(equations: 8.5, 8.6, 8.8) """
ROGERS_YAU_TERM_VEL_MEDIUM_K = 8e3 / si.s
+""" 〃 """
ROGERS_YAU_TERM_VEL_LARGE_K = 2.01e3 * si.cm**0.5 / si.s
+""" 〃 """
ROGERS_YAU_TERM_VEL_SMALL_R_LIMIT = 35 * si.um
+""" 〃 """
ROGERS_YAU_TERM_VEL_MEDIUM_R_LIMIT = 600 * si.um
+""" 〃 """
+
+W76W_G0 = -2.9912729e3 * si.K**2
+""" [Wexler 1976](https://doi.org/10.6028/jres.080A.071) saturation vapour pressure """
+W76W_G1 = -6.0170128e3 * si.K
+""" 〃 """
+W76W_G2 = 1.887643854e1
+""" 〃 """
+W76W_G3 = -2.8354721e-2 * si.K**-1
+""" 〃 """
+W76W_G4 = 1.7838301e-5 * si.K**-2
+""" 〃 """
+W76W_G5 = -8.4150417e-10 * si.K**-3
+""" 〃 """
+W76W_G6 = 4.4412543e-13 * si.K**-4
+""" 〃 """
+W76W_G7 = 2.858487
+""" 〃 """
+W76W_G8 = 1 * si.Pa
+""" 〃 """
+one_kelvin = 1 * si.K
+""" 〃 """
+
+B80W_G0 = 6.112 * si.hPa
+""" [Bolton 1980](https://doi.org/10.1175/1520-0493(1980)108%3C1046:TCOEPT%3E2.0.CO;2)
+saturation vapour pressure """
+B80W_G1 = 17.67 * si.dimensionless
+""" 〃 """
+B80W_G2 = 243.5 * si.K
+""" 〃 """
+
+sgm_w = 0.072 * si.joule / si.metre**2
+""" surface tension of water/air interface, value compatible with the kappa-Koehler hygroscopicity
+ parameterisation [Petters & Kreidenweis 2007](https://doi.org/10.5194/acp-7-1961-2007) """
+
+D0 = 2.26e-5 * si.metre**2 / si.second
+""" diffusivity of water vapor in air (Tracy et al. 2010, "Properties of Air", page 22) """
+D_exp = 1.81
+""" 〃 """
+
+K0 = 2.4e-2 * si.joules / si.metres / si.seconds / si.kelvins
+""" thermal conductivity of air (see Tracy et al. 2010, "Properties of Air", page 32) """
+
+c_pd = 1005 * si.joule / si.kilogram / si.kelvin
+""" specific heat at constant pressure of dry air, as in Table 2.1 in
+ [Cotton et al. 2011](https://doi.org/10.1016/S0074-6142(10)09908-0) """
+c_pv = 1850 * si.joule / si.kilogram / si.kelvin
+""" 〃 of water vapour 〃 """
+c_pw = 4218 * si.joule / si.kilogram / si.kelvin
+""" 〃 of liquid water 〃 """
+
+g_std = sci.g * si.metre / si.second**2
+""" standard gravitational acceleration (value from SciPy) """
+
+bulk_phase_partitioning_T_cold = 235 * si.K
+""" [Kaul et al. 2015](https://doi.org/10.1175/MWR-D-14-00319.1) """
+bulk_phase_partitioning_T_warm = 273 * si.K
+""" 〃 """
+bulk_phase_partitioning_exponent = np.nan
+""" 〃 """
+
+BOLIN_ISOTOPE_TIMESCALE_COEFF_C1 = np.nan * si.dimensionless
+"""
+Coeffitient c1 used in [Bolin 1958](https://https://digitallibrary.un.org/record/3892725)
+for the falling drop evaporation timescale of equilibration with ambient air void of a given
+isotopologue; in the paper timescale is calculated for tritium with assumption of no tritium
+in the environment around the drop (Table 1).
+"""
def compute_derived_values(c: dict):
@@ -408,32 +662,4 @@ def compute_derived_values(c: dict):
c["rho_STP"] = c["p_STP"] / c["Rd"] / c["T_STP"]
c["H_u"] = c["M"] / c["p_STP"]
-
-W76W_G0 = -2.9912729e3 * si.K**2
-W76W_G1 = -6.0170128e3 * si.K
-W76W_G2 = 1.887643854e1
-W76W_G3 = -2.8354721e-2 * si.K**-1
-W76W_G4 = 1.7838301e-5 * si.K**-2
-W76W_G5 = -8.4150417e-10 * si.K**-3
-W76W_G6 = 4.4412543e-13 * si.K**-4
-W76W_G7 = 2.858487
-W76W_G8 = 1 * si.Pa
-
-B80W_G0 = 6.112 * si.hPa
-B80W_G1 = 17.67 * si.dimensionless
-B80W_G2 = 243.5 * si.K
-
-one_kelvin = 1 * si.K
-
-bulk_phase_partitioning_T_cold = 235 * si.K
-bulk_phase_partitioning_T_warm = 273 * si.K
-bulk_phase_partitioning_exponent = np.nan
-
-
-BOLIN_ISOTOPE_TIMESCALE_COEFF_C1 = np.nan * si.dimensionless
-"""
-Coeffitient c1 used in [Bolin 1958](https://https://digitallibrary.un.org/record/3892725)
-for the falling drop evaporation timescale of equilibration with ambient air void of a given
-isotopologue; in the paper timescale is calculated for tritium with assumption of no tritium
-in the environment around the drop (Table 1).
-"""
+ c["l_tri"] = c["L_tri"] / c["Mv"] # 2.5e6 * si.joule / si.kilogram
diff --git a/PySDM/physics/terminal_velocity/rogers_yau.py b/PySDM/physics/terminal_velocity/rogers_yau.py
index 034e3daad..df4442b5f 100644
--- a/PySDM/physics/terminal_velocity/rogers_yau.py
+++ b/PySDM/physics/terminal_velocity/rogers_yau.py
@@ -1,5 +1,6 @@
"""
-Rogers & Yau "A short course in cloud physics" (equations: 8.5, 8.6, 8.8)
+equations 8.5, 8.6, 8.8 in
+[Rogers & Yau 1989](https://archive.org/details/shortcourseinclo0000roge_m3k2)
"""
import numpy as np
diff --git a/docs/bibliography.json b/docs/bibliography.json
index dad2ca043..1a20fb7ef 100644
--- a/docs/bibliography.json
+++ b/docs/bibliography.json
@@ -8,14 +8,16 @@
},
"https://doi.org/10.1175/1520-0450(1977)016%3C0100:AAPFTC%3E2.0.CO;2": {
"usages": [
- "PySDM/physics/saturation_vapour_pressure/lowe1977.py"
+ "PySDM/physics/saturation_vapour_pressure/lowe1977.py",
+ "PySDM/physics/constants_defaults.py"
],
"label": "Lowe 1977 (J. Appl. Meteorol. Climatol. 16)",
"title": "An Approximating Polynomial for the Computation of Saturation Vapor Pressure"
},
"https://doi.org/10.1175/1520-0450(1992)031%3C1507:PFTSVP%3E2.0.CO;2": {
"usages": [
- "PySDM/physics/saturation_vapour_pressure/flatau_walko_cotton.py"
+ "PySDM/physics/saturation_vapour_pressure/flatau_walko_cotton.py",
+ "PySDM/physics/constants_defaults.py"
],
"label": "Flatau et al. 1992 (J. Appl. Meteorol. Climatol. 31)",
"title": "Polynomial Fits to Saturation Vapor Pressure"
@@ -28,21 +30,24 @@
"examples/PySDM_examples/Lowe_et_al_2019/fig_s2.ipynb",
"examples/PySDM_examples/Lowe_et_al_2019/__init__.py",
"PySDM/physics/diffusion_kinetics/lowe_et_al_2019.py",
- "PySDM/physics/diffusion_thermics/lowe_et_al_2019.py"
+ "PySDM/physics/diffusion_thermics/lowe_et_al_2019.py",
+ "PySDM/physics/constants_defaults.py"
],
"label": "Lowe et al. 2019 (Nature Comm. 10)",
"title": "Key drivers of cloud response to surface-active organics"
},
"https://doi.org/10.1039/C3FD00035D": {
"usages": [
- "PySDM/physics/heterogeneous_ice_nucleation_rate/abifm.py"
+ "PySDM/physics/heterogeneous_ice_nucleation_rate/abifm.py",
+ "PySDM/physics/constants_defaults.py"
],
"label": "Knopf & Alpert 2013 (Faraday Discuss. 165)",
"title": "A water activity based model of heterogeneous ice nucleation kinetics for freezing of water and aqueous solution droplets"
},
"https://doi.org/10.1256/qj.04.94": {
"usages": [
- "PySDM/physics/saturation_vapour_pressure/murphy_koop_2005.py"
+ "PySDM/physics/saturation_vapour_pressure/murphy_koop_2005.py",
+ "PySDM/physics/constants_defaults.py"
],
"label": "Murphy & Koop 2005 (Q. J. R. Meteorol. Soc. 131)",
"title": "Review of the vapour pressures of ice and supercooled water for atmospheric applications"
@@ -56,7 +61,8 @@
},
"https://doi.org/10.5194/acp-5-461-2005": {
"usages": [
- "PySDM/physics/diffusion_kinetics/fuchs_sutugin.py"
+ "PySDM/physics/diffusion_kinetics/fuchs_sutugin.py",
+ "PySDM/physics/constants_defaults.py"
],
"label": "Laaksonen et al. 2005 (Atmos. Chem. Phys. 5)",
"title": "Commentary on cloud modelling and the mass accommodation coefficient of water"
@@ -134,6 +140,7 @@
},
"https://doi.org/10.1119/1.15018": {
"usages": [
+ "PySDM/physics/constants_defaults.py",
"PySDM/physics/trivia.py"
],
"label": "Vedder 1987 (Am. J. Phys. 55)",
@@ -156,7 +163,8 @@
},
"https://doi.org/10.5194/acp-7-1961-2007": {
"usages": [
- "PySDM/physics/hygroscopicity/kappa_koehler.py"
+ "PySDM/physics/hygroscopicity/kappa_koehler.py",
+ "PySDM/physics/constants_defaults.py"
],
"label": "Petters & Kreidenweis 2007 (Atmos. Chem. Phys. 7)",
"title": "A single parameter representation of hygroscopic growth and cloud condensation nucleus activity"
@@ -171,7 +179,8 @@
},
"https://doi.org/10.1175/MWR-D-14-00319.1": {
"usages": [
- "PySDM/physics/bulk_phase_partitioning/kaul_et_al_2015.py"
+ "PySDM/physics/bulk_phase_partitioning/kaul_et_al_2015.py",
+ "PySDM/physics/constants_defaults.py"
],
"label": "Kaul et al. 2015 (Mon. Weather Rev. 143)",
"title": "Sensitivities in Large-Eddy Simulations of Mixed-Phase Arctic Stratocumulus Clouds Using a Simple Microphysics Approach"
@@ -273,7 +282,8 @@
"https://doi.org/10.1175/2009JAS3175.1": {
"usages": [
"examples/PySDM_examples/deJong_Mackay_et_al_2023/fig_9.ipynb",
- "PySDM/dynamics/collisions/breakup_fragmentations/straub2010.py"
+ "PySDM/dynamics/collisions/breakup_fragmentations/straub2010.py",
+ "PySDM/physics/constants_defaults.py"
],
"label": "Straub et al. 2010 (J. Atmos. Sci. 67)",
"title": "Numerical Investigation of Collision-Induced Breakup of Raindrops. Part II: Parameterizations of Coalescence Efficiencies and Fragment Size Distributions"
@@ -526,7 +536,8 @@
},
"https://doi.org/10.1175/1520-0493(1980)108%3C1046:TCOEPT%3E2.0.CO;2": {
"usages": [
- "PySDM/physics/saturation_vapour_pressure/bolton_1980.py"
+ "PySDM/physics/saturation_vapour_pressure/bolton_1980.py",
+ "PySDM/physics/constants_defaults.py"
],
"label": "Bolton 1980 (Mon. Weather Rev. 108)",
"title": "The Computation of Equivalent Potential Temperature"
@@ -688,8 +699,56 @@
"label": "Mason 1971 (Clarendon Press, Oxford)"
},
"https://doi.org/10.6028/jres.080A.071": {
- "usages": ["PySDM/physics/saturation_vapour_pressure/wexler_1976.py"],
- "title": "Vapor Pressure Formulation for Water in Range 0 to f 00 °C. A Revision",
+ "usages": [
+ "PySDM/physics/saturation_vapour_pressure/wexler_1976.py",
+ "PySDM/physics/constants_defaults.py"
+ ],
+ "title": "Vapor Pressure Formulation for Water in Range 0 to 100 °C. A Revision",
"label": "Wexler 1976 (J. Res. NBS A Phys. Ch. 80A)"
+ },
+ "https://doi.org/10.1080/10789669.2008.10391032": {
+ "usages": ["PySDM/physics/constants_defaults.py"],
+ "title": "A Twenty-First Century Molar Mass for Dry Air",
+ "label": "Gatley et al. 2008 (HVAC&R Res. 14)"
+ },
+ "https://archive.org/details/shortcourseinclo0000roge_m3k2": {
+ "usages": ["PySDM/physics/constants_defaults.py"],
+ "title": "A short course in clouds physics",
+ "label": "Rogers & Yau 1989 (Pergamon Press)"
+ },
+ "https://doi.org/10.1016/b978-0-444-42225-5.50007-3": {
+ "usages": ["PySDM/physics/constants_defaults.py"],
+ "title": "Isotopes in cloud physics: Multiphase and multistage condensation process",
+ "label": "Jouzel 1986 (The Terrestrial Environment, B)"
+ },
+ "https://doi.org/10.1002/andp.18280890511": {
+ "usages": ["PySDM/physics/constants_defaults.py"],
+ "title": "Ueber die Berechnung der Expansivkraft des Wasserdunstes",
+ "label": "August 1828 (Ann. Phys. Chem. 89)"
+ },
+ "https://doi.org/10.1016/C2013-0-08278-3": {
+ "usages": ["PySDM/physics/constants_defaults.py"],
+ "title": "The Physics of Ice",
+ "label": "Pounder 1965 (Pergamon Press)"
+ },
+ "https://doi.org/10.1175/1520-0469(1976)033%3C1995:TSOIPF%3E2.0.CO;2": {
+ "usages": ["PySDM/physics/constants_defaults.py"],
+ "title": "The Survival of Ice Particles Falling from Cirrus Clouds in Subsaturated Air",
+ "label": "Hall & Pruppacher 1976 (J. Atmos. Sci. 33)"
+ },
+ "https://doi.org/10.1016/S0074-6142(10)09908-0": {
+ "usages": ["PySDM/physics/constants_defaults.py"],
+ "title": "Fundamental Equations Governing Cloud Processes",
+ "label": "Cotton et al. 2011 (International Geophysics 99)"
+ },
+ "https://doi.org/10.1007/978-0-306-48100-0": {
+ "usages": ["PySDM/physics/constants_defaults.py"],
+ "title": "Microphysics of Clouds and Precipitation",
+ "label": "Pruppacher & Klett 2010 (Springer Dordrecht)"
+ },
+ "https://archive.org/details/0237-pdf-atmospheric-chemistry-and-physics-2nd-ed-j.-seinfeld-s.-pandis-wiley-2006-ww": {
+ "usages": ["PySDM/physics/constants_defaults.py"],
+ "title": "Microphysics of Clouds and Precipitation",
+ "label": "Seinfeld & Pandis 2006 (Wiley)"
}
}
diff --git a/docs/generate_html.py b/docs/generate_html.py
index 32bf061ce..8713eec85 100644
--- a/docs/generate_html.py
+++ b/docs/generate_html.py
@@ -67,7 +67,7 @@ def check_urls(urls_from_json):
r"\b(https://doi\.org/10[.][0-9]{4,}(?:[.][0-9]+)*/(?:(?![\"&\'<>^\\])\S)+)\b",
r"\b(https://digitallibrary\.un\.org/record/(?:[0-9])+)\b",
r"\b(http://mi\.mathnet\.ru/dan(?:[0-9])+)\b",
- r"\b(https://archive.org/details/(?:[0-9a-z])+)\b",
+ r"\b(https://archive.org/details/(?:[0-9a-z_\.-])+)\b",
):
urls = re.findall(pattern, text)
if urls:
@@ -82,11 +82,11 @@ def check_urls(urls_from_json):
assert url in unique_urls_found, f"{url} not referenced in the code"
url_usages_found = {
- url: sorted([path for path, d in found_urls if d == url])
+ url: sorted({path for path, d in found_urls if d == url})
for url in unique_urls_found
}
for url in unique_urls_read:
- assert url_usages_found[url] == sorted(urls_from_json[url]["usages"]), (
+ assert url_usages_found[url] == sorted(set(urls_from_json[url]["usages"])), (
f"{url} usages mismatch:\n"
f"\texpected: {url_usages_found[url]}\n"
f"\tactual: {urls_from_json[url]['usages']}"
diff --git a/examples/PySDM_examples/Rozanski_and_Sonntag_1982/figs_4_5_6.ipynb b/examples/PySDM_examples/Rozanski_and_Sonntag_1982/figs_4_5_6.ipynb
index 063031cd8..ed6a066a2 100644
--- a/examples/PySDM_examples/Rozanski_and_Sonntag_1982/figs_4_5_6.ipynb
+++ b/examples/PySDM_examples/Rozanski_and_Sonntag_1982/figs_4_5_6.ipynb
@@ -30,7 +30,7 @@
},
{
"cell_type": "code",
- "execution_count": 1,
+ "execution_count": null,
"id": "99b453fa",
"metadata": {},
"outputs": [],
@@ -44,7 +44,7 @@
},
{
"cell_type": "code",
- "execution_count": 2,
+ "execution_count": null,
"id": "7dadd922",
"metadata": {
"ExecuteTime": {
@@ -69,7 +69,7 @@
},
{
"cell_type": "code",
- "execution_count": 3,
+ "execution_count": null,
"id": "0ecc07d1-88e4-4a4f-a469-fe4f14b31ac4",
"metadata": {},
"outputs": [],
@@ -132,17 +132,26 @@
},
{
"cell_type": "code",
- "execution_count": 4,
+ "execution_count": null,
"id": "31cdfaaa-31be-46c6-9dcf-257024240cd6",
"metadata": {},
"outputs": [],
"source": [
"def Rv_prim(*, Rl, Nl, Rv, Nv, dNl, Rr, K, a):\n",
- " return (\n",
+ " ret = (\n",
" Rl * Nl + Rv * Nv + dNl * Rr * K\n",
" ) / (\n",
" (Nl + dNl * K) * a + Nv\n",
" )\n",
+ " assert np.isfinite(Rl)\n",
+ " assert np.isfinite(Nl)\n",
+ " assert np.isfinite(Rv)\n",
+ " assert np.isfinite(Nv)\n",
+ " assert np.isfinite(dNl)\n",
+ " assert np.isfinite(Rr)\n",
+ " assert np.isfinite(K)\n",
+ " assert np.isfinite(a)\n",
+ " return ret\n",
"\n",
"class MultiBox(Parcel):\n",
" \"\"\" iterative parcel model in which each new iteration operates with ambient isotopic profile \n",
@@ -157,7 +166,11 @@
" \n",
" def advance_parcel_vars(self):\n",
" \"\"\" explicit Euler integration of isotope-ratio time derivative \"\"\"\n",
- " self._recalculate_temperature_pressure_relative_humidity(self._tmp)\n",
+ " try:\n",
+ " self._recalculate_temperature_pressure_relative_humidity(self._tmp)\n",
+ " except RuntimeWarning as e:\n",
+ " print(\"A\", str(e))\n",
+ " assert False\n",
"\n",
" alpha_old = {}\n",
" dRv__dt = {}\n",
@@ -165,35 +178,53 @@
" alpha_fun = getattr(formulae.isotope_equilibrium_fractionation_factors, f'alpha_l_{isotope}')\n",
" alpha_old[isotope] = alpha_fun(self[\"T\"][0])\n",
" alpha_new = alpha_fun(self._tmp[\"T\"][0])\n",
- " \n",
- " dRv__dt[isotope] = self[f'Rv_{isotope}'][0] * self.formulae.isotope_ratio_evolution.d_Rv_over_Rv(\n",
- " alpha=alpha_old[isotope],\n",
- " d_alpha=(alpha_new - alpha_old[isotope]) / self.dt,\n",
- " n_vapour=self['water_vapour_mixing_ratio'][0],\n",
- " d_n_vapour=-self.delta_liquid_water_mixing_ratio / self.dt,\n",
- " n_liquid=FIG4_CAPTION_PARAMS['autoconversion_mixrat_threshold'] # TODO #1207\n",
- " )\n",
- " \n",
- " super().advance_parcel_vars()\n",
+ " try:\n",
+ " dRv__dt[isotope] = self[f'Rv_{isotope}'][0] * self.formulae.isotope_ratio_evolution.d_Rv_over_Rv(\n",
+ " alpha=alpha_old[isotope],\n",
+ " d_alpha=(alpha_new - alpha_old[isotope]) / self.dt,\n",
+ " n_vapour=self['water_vapour_mixing_ratio'][0],\n",
+ " d_n_vapour=-self.delta_liquid_water_mixing_ratio / self.dt,\n",
+ " n_liquid=FIG4_CAPTION_PARAMS['autoconversion_mixrat_threshold'] # TODO #1207\n",
+ " )\n",
+ " except RuntimeWarning as e:\n",
+ " print(\"B\", isotope, str(e))\n",
+ " assert False\n",
+ " try:\n",
+ " super().advance_parcel_vars()\n",
+ " except RuntimeWarning as e:\n",
+ " print(\"C\", str(e))\n",
+ " assert False\n",
"\n",
" for isotope in self.isotopes:\n",
- " self.particulator.backend.explicit_euler(self._tmp[f\"Rv_{isotope}\"], self.particulator.dt, dRv__dt[isotope])\n",
+ " try:\n",
+ " self.particulator.backend.explicit_euler(self._tmp[f\"Rv_{isotope}\"], self.particulator.dt, dRv__dt[isotope])\n",
+ " except RuntimeWarning as e:\n",
+ " print(\"D\", isotope, str(e))\n",
+ " assert False\n",
" level = self.particulator.n_steps\n",
" if self.delta_nl is not None:\n",
- " self._tmp[f\"Rv_{isotope}\"][:] = Rv_prim(\n",
- " Rl=alpha_old[isotope] * self._tmp[f'Rv_{isotope}'][0],\n",
- " Nl=FIG4_CAPTION_PARAMS['autoconversion_mixrat_threshold'],\n",
- " Rv=self._tmp[f'Rv_{isotope}'][0],\n",
- " Nv=self['water_vapour_mixing_ratio'][0],\n",
- " dNl=np.sum(self.delta_nl[level:]),\n",
- " Rr=self.rain_isotope_ratios[isotope][min(\n",
- " level + 2, # TODO #1207: this warrants a comment...\n",
- " self.nt\n",
- " )],\n",
- " K=FIG4_CAPTION_PARAMS[\"isotope_exchange_factor\"],\n",
- " a=alpha_old[isotope]\n",
- " )\n",
- " self._tmp[f\"Rr_{isotope}\"][:] = alpha_old[isotope] * self._tmp[f\"Rv_{isotope}\"][0]\n",
+ " try:\n",
+ " self._tmp[f\"Rv_{isotope}\"][:] = Rv_prim(\n",
+ " Rl=alpha_old[isotope] * self._tmp[f'Rv_{isotope}'][0],\n",
+ " Nl=FIG4_CAPTION_PARAMS['autoconversion_mixrat_threshold'],\n",
+ " Rv=self._tmp[f'Rv_{isotope}'][0],\n",
+ " Nv=self['water_vapour_mixing_ratio'][0],\n",
+ " dNl=np.sum(self.delta_nl[level:]),\n",
+ " Rr=self.rain_isotope_ratios[isotope][min(\n",
+ " level + 2, # TODO #1207: this warrants a comment...\n",
+ " self.nt\n",
+ " )],\n",
+ " K=FIG4_CAPTION_PARAMS[\"isotope_exchange_factor\"],\n",
+ " a=alpha_old[isotope]\n",
+ " )\n",
+ " except RuntimeWarning as e:\n",
+ " print(\"E\", isotope, str(e))\n",
+ " assert False\n",
+ " try:\n",
+ " self._tmp[f\"Rr_{isotope}\"][:] = alpha_old[isotope] * self._tmp[f\"Rv_{isotope}\"][0]\n",
+ " except RuntimeWarning as e:\n",
+ " print(\"F\", str(e))\n",
+ " assert False\n",
"\n",
"@register_product()\n",
"class AmbientIsotopicRatio(MoistEnvironmentProduct):\n",
@@ -204,7 +235,7 @@
},
{
"cell_type": "code",
- "execution_count": 5,
+ "execution_count": null,
"id": "d2011171-3291-4c0e-ad4e-23ba8bf25f52",
"metadata": {},
"outputs": [],
@@ -262,7 +293,7 @@
},
{
"cell_type": "code",
- "execution_count": 6,
+ "execution_count": null,
"id": "0dc34252-4ac9-4d23-89f5-793239183eb7",
"metadata": {},
"outputs": [],
@@ -280,39 +311,10 @@
},
{
"cell_type": "code",
- "execution_count": 7,
+ "execution_count": null,
"id": "ceff8ab7-8b6d-46a1-83e8-83b2fc893380",
"metadata": {},
- "outputs": [
- {
- "data": {
- "application/vnd.jupyter.widget-view+json": {
- "model_id": "fd6a156fc6164cbbb7c57de2963345e7",
- "version_major": 2,
- "version_minor": 0
- },
- "text/plain": [
- "FloatProgress(value=0.0, description='parameters')"
- ]
- },
- "metadata": {},
- "output_type": "display_data"
- },
- {
- "data": {
- "application/vnd.jupyter.widget-view+json": {
- "model_id": "2ab83258fa904f4d85ef99ff37c959ba",
- "version_major": 2,
- "version_minor": 0
- },
- "text/plain": [
- "FloatProgress(value=0.0, description='iterations')"
- ]
- },
- "metadata": {},
- "output_type": "display_data"
- }
- ],
+ "outputs": [],
"source": [
"progbar_params = FloatProgress(value=0, min=0, max=100, description='parameters')\n",
"progbar_iters = FloatProgress(value=0, min=0, max=100, description='iterations')\n",
@@ -351,11874 +353,10 @@
},
{
"cell_type": "code",
- "execution_count": 8,
+ "execution_count": null,
"id": "f00aa5f8-219a-41dd-98fd-c8a411a502b9",
"metadata": {},
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "180.0\n"
- ]
- },
- {
- "data": {
- "image/svg+xml": [
- "\n",
- "\n",
- "\n"
- ],
- "text/plain": [
- ""
- ]
- },
- "metadata": {},
- "output_type": "display_data"
- },
- {
- "data": {
- "application/vnd.jupyter.widget-view+json": {
- "model_id": "ef2fc462864f4c2980c75c10c2c4f25f",
- "version_major": 2,
- "version_minor": 0
- },
- "text/plain": [
- "HTML(value=\"./fig_4.pdf
\")"
- ]
- },
- "metadata": {},
- "output_type": "display_data"
- }
- ],
+ "outputs": [],
"source": [
"PLOT_KEY = 'd'\n",
"print(output[PLOT_KEY][0]['Δz'])\n",
@@ -12344,2353 +482,10 @@
},
{
"cell_type": "code",
- "execution_count": 9,
+ "execution_count": null,
"id": "fd479a38-89d0-45d9-ba99-67f08454177b",
"metadata": {},
- "outputs": [
- {
- "data": {
- "image/svg+xml": [
- "\n",
- "\n",
- "\n"
- ],
- "text/plain": [
- ""
- ]
- },
- "metadata": {},
- "output_type": "display_data"
- },
- {
- "data": {
- "application/vnd.jupyter.widget-view+json": {
- "model_id": "d9fe3cc21e6a4561b7d3e25b14e919fd",
- "version_major": 2,
- "version_minor": 0
- },
- "text/plain": [
- "HTML(value=\"./fig_5.pdf
\")"
- ]
- },
- "metadata": {},
- "output_type": "display_data"
- }
- ],
+ "outputs": [],
"source": [
"fig = pyplot.figure(figsize=(10,5))\n",
"axs = fig.gca()\n",
diff --git a/tests/unit_tests/backends/test_physics_methods.py b/tests/unit_tests/backends/test_physics_methods.py
index b1a546aa9..9b202a90d 100644
--- a/tests/unit_tests/backends/test_physics_methods.py
+++ b/tests/unit_tests/backends/test_physics_methods.py
@@ -35,7 +35,7 @@ def test_temperature_pressure_rh(backend_instance):
# Assert
assert 282 * si.K < T.amin() < 283 * si.K
assert 810 * si.hPa < p.amin() < 830 * si.hPa
- assert 1.12 < RH.amin() < 1.13
+ assert 1.10 < RH.amin() < 1.11
@staticmethod
@pytest.mark.parametrize("variant", ("LiquidSpheres", "MixedPhaseSpheres"))
diff --git a/tests/unit_tests/physics/test_constants.py b/tests/unit_tests/physics/test_constants.py
index 03c30586a..964879ce5 100644
--- a/tests/unit_tests/physics/test_constants.py
+++ b/tests/unit_tests/physics/test_constants.py
@@ -6,10 +6,10 @@
import pint
import pytest
from scipy.constants import physical_constants
+from chempy import Substance
from PySDM import Formulae
from PySDM.physics import constants, constants_defaults, si
-from PySDM.physics.constants_defaults import Substance
def consecutive_seeds():
diff --git a/tests/unit_tests/physics/test_drop_growth.py b/tests/unit_tests/physics/test_drop_growth.py
index 4d89bfa36..a7fab56cb 100644
--- a/tests/unit_tests/physics/test_drop_growth.py
+++ b/tests/unit_tests/physics/test_drop_growth.py
@@ -17,16 +17,17 @@ def test_unit(paper):
with DimensionalAnalysis():
# arrange
formulae = Formulae(drop_growth=paper)
+ const = formulae.constants
# act
r_dr_dt = formulae.drop_growth.r_dr_dt(
RH_eq=1,
- T=constants_defaults.T_tri,
+ T=const.T_tri,
RH=1.05,
- lv=constants_defaults.l_tri,
- pvs=constants_defaults.p_tri,
- D=constants_defaults.D0,
- K=constants_defaults.K0,
+ lv=const.l_tri,
+ pvs=const.p_tri,
+ D=const.D0,
+ K=const.K0,
ventilation_factor=1,
)
@@ -48,10 +49,10 @@ def test_mason_1971_vs_1951_difference_vs_temperature(plot=False):
RH_eq=1,
T=temperatures,
RH=1.05,
- lv=constants_defaults.l_tri,
- pvs=constants_defaults.p_tri,
- D=constants_defaults.D0,
- K=constants_defaults.K0,
+ lv=formulae[paper].constants.l_tri,
+ pvs=formulae[paper].constants.p_tri,
+ D=formulae[paper].constants.D0,
+ K=formulae[paper].constants.K0,
ventilation_factor=1,
)
for paper in papers
diff --git a/tests/unit_tests/physics/test_latent_heat.py b/tests/unit_tests/physics/test_latent_heat.py
index 3716a60ef..77d9a7b64 100644
--- a/tests/unit_tests/physics/test_latent_heat.py
+++ b/tests/unit_tests/physics/test_latent_heat.py
@@ -5,12 +5,12 @@
from matplotlib import pyplot
from PySDM import Formulae
-from PySDM.physics import constants_defaults as const
def test_latent_heats(plot=False):
# Arrange
formulae = {k: Formulae(latent_heat=k) for k in ("Kirchhoff", "Lowe2019")}
+ const = Formulae().constants
temperature = np.linspace(-20, 20) + const.T_tri
# Plot