PySDM 3.0.0rc1__tar.gz → 3.0.0rc2__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (976) hide show
  1. {pysdm-3.0.0rc1/pysdm.egg-info → pysdm-3.0.0rc2}/PKG-INFO +1 -1
  2. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/environments/kinematic_1d.py +1 -1
  3. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/environments/kinematic_2d.py +1 -1
  4. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/environments/parcel.py +1 -1
  5. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/initialisation/__init__.py +0 -1
  6. pysdm-3.0.0rc2/PySDM/initialisation/hygroscopic_equilibrium.py +198 -0
  7. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/docs/markdown/pysdm_landing.md +4 -3
  8. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/examples/PySDM_examples/Abdul_Razzak_Ghan_2000/run_ARG_parcel.py +1 -1
  9. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/examples/PySDM_examples/Arabas_and_Shima_2017/simulation.py +1 -1
  10. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/examples/PySDM_examples/Arabas_et_al_2025/aida.ipynb +1 -1
  11. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/examples/PySDM_examples/Grabowski_and_Pawlowska_2023/simulation.py +1 -1
  12. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/examples/PySDM_examples/Graf_et_al_2019/figure_4.ipynb +2 -1
  13. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/examples/PySDM_examples/Lowe_et_al_2019/simulation.py +1 -1
  14. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/examples/PySDM_examples/Niedermeier_et_al_2014/simulation.py +1 -1
  15. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/examples/PySDM_examples/Pyrcel/simulation.py +1 -1
  16. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/examples/PySDM_examples/Spichtinger_et_al_2023/simulation.py +2 -1
  17. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2/pysdm.egg-info}/PKG-INFO +1 -1
  18. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/pysdm.egg-info/SOURCES.txt +2 -2
  19. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/smoke_tests/box/partmc/test_dry_wet_equilibration.py +1 -1
  20. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/smoke_tests/parcel_c/abdul_razzak_ghan_2000/test_single_supersaturation_peak.py +1 -1
  21. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/dynamics/condensation/test_parcel_sanity_checks.py +2 -1
  22. pysdm-3.0.0rc2/tests/unit_tests/initialisation/test_hygroscopic_equilibrium.py +169 -0
  23. pysdm-3.0.0rc1/PySDM/initialisation/equilibrate_wet_radii.py +0 -129
  24. pysdm-3.0.0rc1/tests/unit_tests/initialisation/test_equilibrate_wet_radii.py +0 -85
  25. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/.binder/apt.txt +0 -0
  26. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/.binder/postBuild +0 -0
  27. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/.binder/requirements.txt +0 -0
  28. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/.codecov.yml +0 -0
  29. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/.github/dependabot.yml +0 -0
  30. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/.github/workflows/cancel.yml +0 -0
  31. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/.github/workflows/pdoc.yml +0 -0
  32. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/.github/workflows/precommit.yml +0 -0
  33. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/.github/workflows/pypi.yml +0 -0
  34. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/.github/workflows/readme_snippets.yml +0 -0
  35. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/.github/workflows/stale.yml +0 -0
  36. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/.github/workflows/tests.yml +0 -0
  37. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/.gitignore +0 -0
  38. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/.gitmodules +0 -0
  39. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/.pre-commit-config.yaml +0 -0
  40. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/.zenodo.json +0 -0
  41. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/LICENSE +0 -0
  42. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/__init__.py +0 -0
  43. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/__init__.py +0 -0
  44. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/chemistry/__init__.py +0 -0
  45. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/chemistry/acidity.py +0 -0
  46. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/chemistry/concentration.py +0 -0
  47. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/chemistry/hydrogen_ion_concentration.py +0 -0
  48. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/ice/__init__.py +0 -0
  49. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/ice/cooling_rate.py +0 -0
  50. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/ice/freezing_temperature.py +0 -0
  51. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/ice/immersed_surface_area.py +0 -0
  52. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/impl/__init__.py +0 -0
  53. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/impl/attribute.py +0 -0
  54. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/impl/attribute_registry.py +0 -0
  55. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/impl/base_attribute.py +0 -0
  56. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/impl/cell_attribute.py +0 -0
  57. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/impl/derived_attribute.py +0 -0
  58. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/impl/dummy_attribute.py +0 -0
  59. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/impl/extensive_attribute.py +0 -0
  60. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/impl/intensive_attribute.py +0 -0
  61. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/impl/maximum_attribute.py +0 -0
  62. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/impl/mole_amount.py +0 -0
  63. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/impl/temperature_variation_option_attribute.py +0 -0
  64. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/isotopes/__init__.py +0 -0
  65. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/isotopes/delta.py +0 -0
  66. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/isotopes/moles.py +0 -0
  67. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/numerics/__init__.py +0 -0
  68. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/numerics/cell_id.py +0 -0
  69. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/numerics/cell_origin.py +0 -0
  70. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/numerics/position_in_cell.py +0 -0
  71. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/__init__.py +0 -0
  72. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/area.py +0 -0
  73. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/critical_saturation.py +0 -0
  74. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/critical_volume.py +0 -0
  75. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/dry_radius.py +0 -0
  76. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/dry_volume.py +0 -0
  77. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/equilibrium_saturation.py +0 -0
  78. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/heat.py +0 -0
  79. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/hygroscopicity.py +0 -0
  80. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/multiplicity.py +0 -0
  81. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/radius.py +0 -0
  82. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/relative_fall_velocity.py +0 -0
  83. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/reynolds_number.py +0 -0
  84. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/temperature.py +0 -0
  85. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/terminal_velocity.py +0 -0
  86. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/volume.py +0 -0
  87. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/attributes/physics/water_mass.py +0 -0
  88. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/__init__.py +0 -0
  89. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_common/__init__.py +0 -0
  90. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_common/backend_methods.py +0 -0
  91. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_common/freezing_attributes.py +0 -0
  92. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_common/index.py +0 -0
  93. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_common/indexed_storage.py +0 -0
  94. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_common/pair_indicator.py +0 -0
  95. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_common/pairwise_storage.py +0 -0
  96. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_common/random_common.py +0 -0
  97. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_common/storage_utils.py +0 -0
  98. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/__init__.py +0 -0
  99. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/atomic_operations.py +0 -0
  100. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/conf.py +0 -0
  101. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/methods/__init__.py +0 -0
  102. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/methods/chemistry_methods.py +0 -0
  103. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/methods/collisions_methods.py +0 -0
  104. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/methods/condensation_methods.py +0 -0
  105. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/methods/deposition_methods.py +0 -0
  106. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/methods/displacement_methods.py +0 -0
  107. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/methods/fragmentation_methods.py +0 -0
  108. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/methods/freezing_methods.py +0 -0
  109. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/methods/index_methods.py +0 -0
  110. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/methods/isotope_methods.py +0 -0
  111. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/methods/moments_methods.py +0 -0
  112. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/methods/pair_methods.py +0 -0
  113. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/methods/physics_methods.py +0 -0
  114. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/methods/seeding_methods.py +0 -0
  115. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/methods/terminal_velocity_methods.py +0 -0
  116. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/random.py +0 -0
  117. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/storage.py +0 -0
  118. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/storage_impl.py +0 -0
  119. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/test_helpers/__init__.py +0 -0
  120. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/test_helpers/scipy_ode_condensation_solver.py +0 -0
  121. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/toms748.py +0 -0
  122. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_numba/warnings.py +0 -0
  123. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/__init__.py +0 -0
  124. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/bisection.py +0 -0
  125. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/conf.py +0 -0
  126. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/methods/__init__.py +0 -0
  127. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/methods/collisions_methods.py +0 -0
  128. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/methods/condensation_methods.py +0 -0
  129. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/methods/displacement_methods.py +0 -0
  130. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/methods/freezing_methods.py +0 -0
  131. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/methods/index_methods.py +0 -0
  132. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/methods/isotope_methods.py +0 -0
  133. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/methods/moments_methods.py +0 -0
  134. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/methods/pair_methods.py +0 -0
  135. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/methods/physics_methods.py +0 -0
  136. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/methods/terminal_velocity_methods.py +0 -0
  137. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/methods/thrust_rtc_backend_methods.py +0 -0
  138. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/nice_thrust.py +0 -0
  139. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/random.py +0 -0
  140. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/storage.py +0 -0
  141. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/test_helpers/__init__.py +0 -0
  142. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/test_helpers/cpp2python.py +0 -0
  143. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/test_helpers/fake_thrust_rtc.py +0 -0
  144. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/impl_thrust_rtc/test_helpers/flag.py +0 -0
  145. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/numba.py +0 -0
  146. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/backends/thrust_rtc.py +0 -0
  147. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/builder.py +0 -0
  148. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/dynamics/__init__.py +0 -0
  149. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/dynamics/ambient_thermodynamics.py +0 -0
  150. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/dynamics/aqueous_chemistry.py +0 -0
  151. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/dynamics/collisions/__init__.py +0 -0
  152. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/dynamics/collisions/breakup_efficiencies/__init__.py +0 -0
  153. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/dynamics/collisions/breakup_efficiencies/constEb.py +0 -0
  154. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/dynamics/collisions/breakup_fragmentations/__init__.py +0 -0
  155. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/dynamics/collisions/breakup_fragmentations/always_n.py +0 -0
  156. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/dynamics/collisions/breakup_fragmentations/constant_mass.py +0 -0
  157. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/dynamics/collisions/breakup_fragmentations/expon_frag.py +0 -0
  158. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/dynamics/collisions/breakup_fragmentations/exponential.py +0 -0
  159. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/dynamics/collisions/breakup_fragmentations/feingold1988.py +0 -0
  160. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/dynamics/collisions/breakup_fragmentations/gaussian.py +0 -0
  161. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/PySDM/dynamics/collisions/breakup_fragmentations/impl/__init__.py +0 -0
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  892. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/dynamics/displacement/test_sedimentation.py +0 -0
  893. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/dynamics/test_eulerian_advection.py +0 -0
  894. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/dynamics/test_freezing.py +0 -0
  895. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/dynamics/test_impl_register_dynamic.py +0 -0
  896. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/dynamics/test_isotopic_fractionation.py +0 -0
  897. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/dynamics/test_relaxed_velocity.py +0 -0
  898. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/dynamics/test_seeding.py +0 -0
  899. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/dynamics/test_terminal_velocity.py +0 -0
  900. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/dynamics/test_vapour_deposition_on_ice.py +0 -0
  901. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/environments/__init__.py +0 -0
  902. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/environments/test_impl.py +0 -0
  903. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/environments/test_moist.py +0 -0
  904. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/exporters/__init__.py +0 -0
  905. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/exporters/test_vtk_exporter.py +0 -0
  906. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/impl/__init__.py +0 -0
  907. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/impl/test_camel_case.py +0 -0
  908. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/impl/test_mesh.py +0 -0
  909. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/impl/test_moments.py +0 -0
  910. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/impl/test_particle_attributes.py +0 -0
  911. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/initialisation/__init__.py +0 -0
  912. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/initialisation/test_aerosol_init.py +0 -0
  913. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/initialisation/test_discretise_multiplicities.py +0 -0
  914. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/initialisation/test_init_fall_momenta.py +0 -0
  915. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/initialisation/test_spatial_discretisation.py +0 -0
  916. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/initialisation/test_spectra_lognormal.py +0 -0
  917. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/initialisation/test_spectral_discretisation.py +0 -0
  918. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/initialisation/test_spectro_glacial_discretisation.py +0 -0
  919. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/__init__.py +0 -0
  920. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_accommodation_coefficients.py +0 -0
  921. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_air_dynamic_viscosity.py +0 -0
  922. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_bulk_phase_partitioning.py +0 -0
  923. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_constants.py +0 -0
  924. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_diffusion_ice_capacity.py +0 -0
  925. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_dimensional_analysis.py +0 -0
  926. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_drop_growth.py +0 -0
  927. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_fake_unit_registry.py +0 -0
  928. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_formulae.py +0 -0
  929. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_fragmentation_functions.py +0 -0
  930. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_freezing_temperature_spectra.py +0 -0
  931. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_homogeneous_nucleation_rates.py +0 -0
  932. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_hydrostatics_var_g.py +0 -0
  933. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_hygroscopicity_fierce_diagrams.py +0 -0
  934. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_isotope_diffusivity_ratios.py +0 -0
  935. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_isotope_equilibrium_fractionation_factors.py +0 -0
  936. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_isotope_kinetic_fractionation_factors.py +0 -0
  937. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_isotope_meteoric_water_line.py +0 -0
  938. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_isotope_ratio_evolution.py +0 -0
  939. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_isotope_relaxation_timescale.py +0 -0
  940. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_isotope_temperature_inference.py +0 -0
  941. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_isotope_ventilation_ratio.py +0 -0
  942. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_latent_heat.py +0 -0
  943. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_optical.py +0 -0
  944. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_particle_shape_and_density.py +0 -0
  945. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_saturation_vapour_pressure.py +0 -0
  946. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_spectra.py +0 -0
  947. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_spectra_top_hat.py +0 -0
  948. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_surface_tension.py +0 -0
  949. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_thermal_conductivity.py +0 -0
  950. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_trivia.py +0 -0
  951. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/physics/test_ventilation_coefficient.py +0 -0
  952. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/products/__init__.py +0 -0
  953. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/products/test_activation_criteria.py +0 -0
  954. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/products/test_ambient_relative_humidity.py +0 -0
  955. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/products/test_arbitrary_moment.py +0 -0
  956. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/products/test_averaged_terminal_velocity.py +0 -0
  957. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/products/test_collision_rates.py +0 -0
  958. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/products/test_concentration_product.py +0 -0
  959. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/products/test_cooling_rate.py +0 -0
  960. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/products/test_effective_radii.py +0 -0
  961. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/products/test_impl.py +0 -0
  962. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/products/test_mixed_phase_moments.py +0 -0
  963. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/products/test_parcel_liquid_water_path.py +0 -0
  964. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/products/test_particle_size_product.py +0 -0
  965. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/products/test_particle_size_spectrum.py +0 -0
  966. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/products/test_surface_precipitation.py +0 -0
  967. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/test_builder.py +0 -0
  968. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/test_formulae.py +0 -0
  969. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/test_imports.py +0 -0
  970. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tests/unit_tests/test_particulator.py +0 -0
  971. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tutorials/README.md +0 -0
  972. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tutorials/collisions/collection_droplet.svg +0 -0
  973. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tutorials/collisions/collisions_playground.ipynb +0 -0
  974. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tutorials/condensation/condensation_playground.ipynb +0 -0
  975. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tutorials/condensation/kohler_curve.svg +0 -0
  976. {pysdm-3.0.0rc1 → pysdm-3.0.0rc2}/tutorials/wikipedia/sdm.ipynb +0 -0
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: pysdm
3
- Version: 3.0.0rc1
3
+ Version: 3.0.0rc2
4
4
  Summary: Pythonic particle-based (super-droplet) warm-rain/aqueous-chemistry cloud microphysics package with box, parcel & 1D/2D prescribed-flow examples in Python, Julia and Matlab
5
5
  Author-email: "https://github.com/open-atmos/PySDM/graphs/contributors" <sylwester.arabas@agh.edu.pl>
6
6
  License-Expression: GPL-3.0-only
@@ -8,7 +8,7 @@ import numpy as np
8
8
  from PySDM.environments.impl.moist import Moist
9
9
 
10
10
  from PySDM.impl import arakawa_c
11
- from PySDM.initialisation.equilibrate_wet_radii import equilibrate_wet_radii
11
+ from PySDM.initialisation.hygroscopic_equilibrium import equilibrate_wet_radii
12
12
  from PySDM.environments.impl import register_environment
13
13
 
14
14
 
@@ -7,7 +7,7 @@ import numpy as np
7
7
 
8
8
  from PySDM.environments.impl.moist import Moist
9
9
  from PySDM.impl.mesh import Mesh
10
- from PySDM.initialisation.equilibrate_wet_radii import (
10
+ from PySDM.initialisation.hygroscopic_equilibrium import (
11
11
  default_rtol,
12
12
  equilibrate_wet_radii,
13
13
  )
@@ -8,7 +8,7 @@ import numpy as np
8
8
 
9
9
  from PySDM.environments.impl.moist import Moist
10
10
  from PySDM.impl.mesh import Mesh
11
- from PySDM.initialisation.equilibrate_wet_radii import (
11
+ from PySDM.initialisation.hygroscopic_equilibrium import (
12
12
  default_rtol,
13
13
  equilibrate_wet_radii,
14
14
  )
@@ -5,7 +5,6 @@ wet radii equilibration
5
5
 
6
6
  from . import sampling, spectra
7
7
  from .discretise_multiplicities import discretise_multiplicities
8
- from .equilibrate_wet_radii import equilibrate_wet_radii
9
8
  from .init_fall_momenta import init_fall_momenta
10
9
 
11
10
  from . import aerosol_composition # isort:skip
@@ -0,0 +1,198 @@
1
+ """
2
+ Koehler-curve equilibrium in unsaturated conditions
3
+ """
4
+
5
+ import numba
6
+ import numpy as np
7
+
8
+ from ..backends.impl_numba.conf import JIT_FLAGS
9
+ from ..backends.impl_numba.toms748 import toms748_solve
10
+ from ..backends.impl_numba.warnings import warn
11
+
12
+ default_rtol = 1e-5
13
+ default_max_iters = 64
14
+
15
+ # pylint: disable=too-many-locals,too-many-arguments
16
+
17
+
18
+ def _solve_equilibrium_radii(
19
+ *,
20
+ radii_in: np.ndarray,
21
+ get_bounds,
22
+ get_args,
23
+ minfun,
24
+ environment,
25
+ kappa,
26
+ f_org: np.ndarray,
27
+ cell_id: np.ndarray,
28
+ rtol: float,
29
+ max_iters: int,
30
+ skip_fa_lt_zero: bool,
31
+ RH_range: tuple = (0, 1),
32
+ ):
33
+ T = environment["T"].to_ndarray()
34
+ RH = environment["RH"].to_ndarray()
35
+ formulae = environment.particulator.formulae
36
+ within_tolerance = formulae.trivia.within_tolerance
37
+ jit_flags = {**JIT_FLAGS, **{"fastmath": formulae.fastmath}}
38
+
39
+ if cell_id is None:
40
+ cell_id = np.zeros_like(radii_in, dtype=int)
41
+ if f_org is None:
42
+ f_org = np.zeros_like(radii_in, dtype=float)
43
+
44
+ @numba.njit(**jit_flags)
45
+ def impl(radii_in, iters, T, RH, cell_id, kappa, f_org):
46
+ radii_out = np.empty_like(radii_in)
47
+ for i in numba.prange(len(radii_in)): # pylint: disable=not-an-iterable
48
+ cid = cell_id[i]
49
+ a, b = get_bounds(radii_in[i], T[cid], kappa[i])
50
+
51
+ if not a < b:
52
+ radii_out[i] = radii_in[i]
53
+ iters[i] = 0
54
+ continue
55
+
56
+ RH_i = np.maximum(RH_range[0], np.minimum(RH_range[1], RH[cid]))
57
+ args = get_args(T[cid], RH_i, kappa[i], radii_in[i], f_org[i])
58
+ fa, fb = minfun(a, *args), minfun(b, *args)
59
+
60
+ if skip_fa_lt_zero and fa < 0:
61
+ radii_out[i] = radii_in[i]
62
+ iters[i] = 0
63
+ continue
64
+
65
+ radii_out[i], iters[i] = toms748_solve(
66
+ minfun,
67
+ args,
68
+ a,
69
+ b,
70
+ fa,
71
+ fb,
72
+ rtol=rtol,
73
+ max_iter=max_iters,
74
+ within_tolerance=within_tolerance,
75
+ )
76
+ if iters[i] == -1:
77
+ warn(
78
+ msg="failed to find equilibrium particle size",
79
+ file=__file__,
80
+ context=(
81
+ "i",
82
+ i,
83
+ "r",
84
+ radii_in[i],
85
+ "T",
86
+ T[cid],
87
+ "RH",
88
+ RH_i,
89
+ "f_org",
90
+ f_org[i],
91
+ "kappa",
92
+ kappa[i],
93
+ ),
94
+ )
95
+ return radii_out
96
+
97
+ iters = np.empty_like(radii_in, dtype=int)
98
+ radii_out = impl(radii_in, iters, T, RH, cell_id, kappa, f_org)
99
+ assert (iters != max_iters).all() and (iters != -1).all()
100
+ return radii_out
101
+
102
+
103
+ def equilibrate_dry_radii(
104
+ *,
105
+ r_wet: np.ndarray,
106
+ environment,
107
+ kappa: np.ndarray,
108
+ f_org: np.ndarray = None,
109
+ cell_id: np.ndarray = None,
110
+ rtol=default_rtol,
111
+ max_iters=default_max_iters,
112
+ ):
113
+ formulae = environment.particulator.formulae
114
+ sigma = formulae.surface_tension.sigma
115
+ phys_volume = formulae.trivia.volume
116
+ const = environment.particulator.formulae.constants
117
+ RH_eq = formulae.hygroscopicity.RH_eq
118
+ jit_flags = {**JIT_FLAGS, **{"fastmath": formulae.fastmath}}
119
+
120
+ @numba.njit(**{**jit_flags, "parallel": False})
121
+ def get_args(T_i, RH_i, kappa, r_wet, f_org):
122
+ return T_i, RH_i, kappa, r_wet, f_org
123
+
124
+ @numba.njit(**{**jit_flags, "parallel": False})
125
+ def get_bounds(r_wet, _, __):
126
+ return 0.0, r_wet
127
+
128
+ @numba.njit(**{**jit_flags, "parallel": False})
129
+ def minfun_dry(r_dry, temperature, relative_humidity, kappa, r_wet, f_org):
130
+ r_dry_3 = r_dry**3
131
+ sgm = sigma(
132
+ temperature, phys_volume(radius=r_wet), const.PI_4_3 * r_dry_3, f_org
133
+ )
134
+ return relative_humidity - RH_eq(r_wet, temperature, kappa, r_dry_3, sgm)
135
+
136
+ return _solve_equilibrium_radii(
137
+ radii_in=r_wet,
138
+ get_args=get_args,
139
+ get_bounds=get_bounds,
140
+ minfun=minfun_dry,
141
+ environment=environment,
142
+ kappa=kappa,
143
+ f_org=f_org,
144
+ cell_id=cell_id,
145
+ rtol=rtol,
146
+ max_iters=max_iters,
147
+ skip_fa_lt_zero=False,
148
+ )
149
+
150
+
151
+ def equilibrate_wet_radii(
152
+ *,
153
+ r_dry: np.ndarray,
154
+ environment,
155
+ kappa_times_dry_volume: np.ndarray,
156
+ f_org: np.ndarray = None,
157
+ cell_id: np.ndarray = None,
158
+ rtol=default_rtol,
159
+ max_iters=default_max_iters,
160
+ ):
161
+ formulae = environment.particulator.formulae
162
+ sigma = formulae.surface_tension.sigma
163
+ phys_volume = formulae.trivia.volume
164
+ const = environment.particulator.formulae.constants
165
+ RH_eq = formulae.hygroscopicity.RH_eq
166
+ r_cr = formulae.hygroscopicity.r_cr
167
+ jit_flags = {**JIT_FLAGS, **{"fastmath": formulae.fastmath}}
168
+
169
+ @numba.njit(**{**jit_flags, "parallel": False})
170
+ def get_args(T_i, RH_i, kappa, r_dry, f_org):
171
+ return T_i, RH_i, kappa, r_dry**3, f_org
172
+
173
+ @numba.njit(**{**jit_flags, "parallel": False})
174
+ def get_bounds(r_dry, T_i, kappa):
175
+ a = r_dry
176
+ b = r_cr(kappa, r_dry**3, T_i, const.sgm_w)
177
+ return a, b
178
+
179
+ @numba.njit(**{**jit_flags, "parallel": False})
180
+ def minfun_wet(r_wet, temperature, relative_humidity, kappa, r_dry_3, f_org):
181
+ sgm = sigma(
182
+ temperature, phys_volume(radius=r_wet), const.PI_4_3 * r_dry_3, f_org
183
+ )
184
+ return relative_humidity - RH_eq(r_wet, temperature, kappa, r_dry_3, sgm)
185
+
186
+ return _solve_equilibrium_radii(
187
+ radii_in=r_dry,
188
+ get_args=get_args,
189
+ get_bounds=get_bounds,
190
+ minfun=minfun_wet,
191
+ environment=environment,
192
+ kappa=kappa_times_dry_volume / phys_volume(radius=r_dry),
193
+ f_org=f_org,
194
+ cell_id=cell_id,
195
+ rtol=rtol,
196
+ max_iters=max_iters,
197
+ skip_fa_lt_zero=True,
198
+ )
@@ -386,7 +386,7 @@ si = pyimport("PySDM.physics").si
386
386
  spectral_sampling = pyimport("PySDM.initialisation.sampling").spectral_sampling
387
387
  discretise_multiplicities = pyimport("PySDM.initialisation").discretise_multiplicities
388
388
  Lognormal = pyimport("PySDM.initialisation.spectra").Lognormal
389
- equilibrate_wet_radii = pyimport("PySDM.initialisation").equilibrate_wet_radii
389
+ equilibrate_wet_radii = pyimport("PySDM.initialisation.hygroscopic_equilibrium").equilibrate_wet_radii
390
390
  CPU = pyimport("PySDM.backends").CPU
391
391
  AmbientThermodynamics = pyimport("PySDM.dynamics").AmbientThermodynamics
392
392
  Condensation = pyimport("PySDM.dynamics").Condensation
@@ -467,7 +467,7 @@ si = py.importlib.import_module('PySDM.physics').si;
467
467
  spectral_sampling = py.importlib.import_module('PySDM.initialisation.sampling').spectral_sampling;
468
468
  discretise_multiplicities = py.importlib.import_module('PySDM.initialisation').discretise_multiplicities;
469
469
  Lognormal = py.importlib.import_module('PySDM.initialisation.spectra').Lognormal;
470
- equilibrate_wet_radii = py.importlib.import_module('PySDM.initialisation').equilibrate_wet_radii;
470
+ equilibrate_wet_radii = py.importlib.import_module('PySDM.initialisation.hygroscopic_equilibrium').equilibrate_wet_radii;
471
471
  CPU = py.importlib.import_module('PySDM.backends').CPU;
472
472
  AmbientThermodynamics = py.importlib.import_module('PySDM.dynamics').AmbientThermodynamics;
473
473
  Condensation = py.importlib.import_module('PySDM.dynamics').Condensation;
@@ -568,7 +568,8 @@ saveas(gcf, "parcel.png");
568
568
  ```Python
569
569
  from matplotlib import pyplot
570
570
  from PySDM.physics import si
571
- from PySDM.initialisation import discretise_multiplicities, equilibrate_wet_radii
571
+ from PySDM.initialisation import discretise_multiplicities
572
+ from PySDM.initialisation.hygroscopic_equilibrium import equilibrate_wet_radii
572
573
  from PySDM.initialisation.spectra import Lognormal
573
574
  from PySDM.initialisation.sampling import spectral_sampling
574
575
  from PySDM.backends import CPU
@@ -8,7 +8,7 @@ from PySDM import products as PySDM_products
8
8
  from PySDM.backends import CPU
9
9
  from PySDM.dynamics import AmbientThermodynamics, Condensation
10
10
  from PySDM.environments import Parcel
11
- from PySDM.initialisation import equilibrate_wet_radii
11
+ from PySDM.initialisation.hygroscopic_equilibrium import equilibrate_wet_radii
12
12
  from PySDM.initialisation.sampling.spectral_sampling import ConstantMultiplicity
13
13
  from PySDM.physics import si
14
14
 
@@ -5,7 +5,7 @@ from PySDM.backends import CPU
5
5
  from PySDM.builder import Builder
6
6
  from PySDM.dynamics import AmbientThermodynamics, Condensation
7
7
  from PySDM.environments import Parcel
8
- from PySDM.initialisation import equilibrate_wet_radii
8
+ from PySDM.initialisation.hygroscopic_equilibrium import equilibrate_wet_radii
9
9
  from PySDM.physics import constants as const
10
10
 
11
11
 
@@ -69,7 +69,7 @@
69
69
  "from PySDM import products as PySDM_products\n",
70
70
  "from PySDM.initialisation.sampling import spectral_sampling\n",
71
71
  "from PySDM.initialisation.spectra import Lognormal\n",
72
- "from PySDM.initialisation import equilibrate_wet_radii\n",
72
+ "from PySDM.initialisation.hygroscopic_equilibrium import equilibrate_wet_radii\n",
73
73
  "\n",
74
74
  "from PySDM_examples.utils import BasicSimulation"
75
75
  ],
@@ -6,7 +6,7 @@ from PySDM.backends import CPU
6
6
  from PySDM.backends.impl_numba.test_helpers import scipy_ode_condensation_solver
7
7
  from PySDM.dynamics import AmbientThermodynamics, Condensation
8
8
  from PySDM.environments import Parcel
9
- from PySDM.initialisation import equilibrate_wet_radii
9
+ from PySDM.initialisation.hygroscopic_equilibrium import equilibrate_wet_radii
10
10
  from PySDM.initialisation.sampling.spectral_sampling import ConstantMultiplicity
11
11
  from PySDM.physics import si
12
12
 
@@ -64,7 +64,8 @@
64
64
  "from PySDM.dynamics import AmbientThermodynamics, Condensation\n",
65
65
  "from PySDM.initialisation.spectra import Lognormal\n",
66
66
  "from PySDM.initialisation.sampling import spectral_sampling\n",
67
- "from PySDM.initialisation import equilibrate_wet_radii, discretise_multiplicities\n",
67
+ "from PySDM.initialisation.hygroscopic_equilibrium import equilibrate_wet_radii\n",
68
+ "from PySDM.initialisation import discretise_multiplicities\n",
68
69
  "from PySDM import products"
69
70
  ]
70
71
  },
@@ -5,7 +5,7 @@ import PySDM.products as PySDM_products
5
5
  from PySDM import Builder
6
6
  from PySDM.dynamics import AmbientThermodynamics, Condensation
7
7
  from PySDM.environments import Parcel
8
- from PySDM.initialisation import equilibrate_wet_radii
8
+ from PySDM.initialisation.hygroscopic_equilibrium import equilibrate_wet_radii
9
9
  from PySDM.initialisation.spectra import Sum
10
10
 
11
11
 
@@ -9,7 +9,7 @@ from PySDM import Builder
9
9
  from PySDM.backends import CPU
10
10
  from PySDM.dynamics import AmbientThermodynamics, Condensation, Freezing
11
11
  from PySDM.environments import Parcel
12
- from PySDM.initialisation import equilibrate_wet_radii
12
+ from PySDM.initialisation.hygroscopic_equilibrium import equilibrate_wet_radii
13
13
  from PySDM.products import AmbientTemperature, IceWaterContent, ParcelDisplacement
14
14
 
15
15
 
@@ -6,7 +6,7 @@ from PySDM.backends import CPU
6
6
  from PySDM.backends.impl_numba.test_helpers import scipy_ode_condensation_solver
7
7
  from PySDM.dynamics import AmbientThermodynamics, Condensation
8
8
  from PySDM.environments import Parcel
9
- from PySDM.initialisation import equilibrate_wet_radii
9
+ from PySDM.initialisation.hygroscopic_equilibrium import equilibrate_wet_radii
10
10
  from PySDM.initialisation.sampling.spectral_sampling import ConstantMultiplicity
11
11
  from PySDM.physics import si
12
12
 
@@ -12,7 +12,8 @@ from PySDM.dynamics import (
12
12
  VapourDepositionOnIce,
13
13
  )
14
14
  from PySDM.environments import Parcel
15
- from PySDM.initialisation import discretise_multiplicities, equilibrate_wet_radii
15
+ from PySDM.initialisation import discretise_multiplicities
16
+ from PySDM.initialisation.hygroscopic_equilibrium import equilibrate_wet_radii
16
17
 
17
18
 
18
19
  class Simulation(BasicSimulation):
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: pysdm
3
- Version: 3.0.0rc1
3
+ Version: 3.0.0rc2
4
4
  Summary: Pythonic particle-based (super-droplet) warm-rain/aqueous-chemistry cloud microphysics package with box, parcel & 1D/2D prescribed-flow examples in Python, Julia and Matlab
5
5
  Author-email: "https://github.com/open-atmos/PySDM/graphs/contributors" <sylwester.arabas@agh.edu.pl>
6
6
  License-Expression: GPL-3.0-only
@@ -204,7 +204,7 @@ PySDM/impl/particle_attributes_factory.py
204
204
  PySDM/impl/wall_timer.py
205
205
  PySDM/initialisation/__init__.py
206
206
  PySDM/initialisation/discretise_multiplicities.py
207
- PySDM/initialisation/equilibrate_wet_radii.py
207
+ PySDM/initialisation/hygroscopic_equilibrium.py
208
208
  PySDM/initialisation/init_fall_momenta.py
209
209
  PySDM/initialisation/aerosol_composition/__init__.py
210
210
  PySDM/initialisation/aerosol_composition/dry_aerosol.py
@@ -910,7 +910,7 @@ tests/unit_tests/impl/test_particle_attributes.py
910
910
  tests/unit_tests/initialisation/__init__.py
911
911
  tests/unit_tests/initialisation/test_aerosol_init.py
912
912
  tests/unit_tests/initialisation/test_discretise_multiplicities.py
913
- tests/unit_tests/initialisation/test_equilibrate_wet_radii.py
913
+ tests/unit_tests/initialisation/test_hygroscopic_equilibrium.py
914
914
  tests/unit_tests/initialisation/test_init_fall_momenta.py
915
915
  tests/unit_tests/initialisation/test_spatial_discretisation.py
916
916
  tests/unit_tests/initialisation/test_spectra_lognormal.py
@@ -12,7 +12,7 @@ import PyPartMC
12
12
  from PySDM import Builder
13
13
  from PySDM.backends import CPU
14
14
  from PySDM.environments import Box
15
- from PySDM.initialisation import equilibrate_wet_radii
15
+ from PySDM.initialisation.hygroscopic_equilibrium import equilibrate_wet_radii
16
16
  from PySDM.initialisation.spectra import Lognormal
17
17
  from PySDM.physics import si
18
18
 
@@ -11,7 +11,7 @@ from PySDM.backends import CPU
11
11
  from PySDM.backends.impl_numba.test_helpers import scipy_ode_condensation_solver
12
12
  from PySDM.dynamics import AmbientThermodynamics, Condensation
13
13
  from PySDM.environments import Parcel
14
- from PySDM.initialisation import equilibrate_wet_radii
14
+ from PySDM.initialisation.hygroscopic_equilibrium import equilibrate_wet_radii
15
15
  from PySDM.initialisation.sampling.spectral_sampling import ConstantMultiplicity
16
16
  from PySDM.initialisation.spectra import Lognormal
17
17
  from PySDM.physics import si
@@ -10,7 +10,8 @@ from PySDM import Builder, Formulae, products
10
10
  from PySDM.backends import CPU, GPU
11
11
  from PySDM.dynamics import AmbientThermodynamics, Condensation
12
12
  from PySDM.environments import Parcel
13
- from PySDM.initialisation import discretise_multiplicities, equilibrate_wet_radii
13
+ from PySDM.initialisation import discretise_multiplicities
14
+ from PySDM.initialisation.hygroscopic_equilibrium import equilibrate_wet_radii
14
15
  from PySDM.initialisation.sampling import spectral_sampling
15
16
  from PySDM.initialisation.spectra import Lognormal
16
17
  from PySDM.physics import si
@@ -0,0 +1,169 @@
1
+ # pylint: disable=missing-module-docstring,missing-class-docstring,missing-function-docstring
2
+ import numpy as np
3
+ import pytest
4
+ from matplotlib import pyplot
5
+
6
+ from PySDM import Formulae, Builder
7
+ from PySDM.backends import CPU
8
+ from PySDM.initialisation.hygroscopic_equilibrium import (
9
+ equilibrate_wet_radii,
10
+ equilibrate_dry_radii,
11
+ )
12
+ from PySDM.physics import constants_defaults as const
13
+ from PySDM.physics import si
14
+ from PySDM.environments import Box
15
+
16
+
17
+ class TestHygroscopicEquilibrium:
18
+ @staticmethod
19
+ @pytest.mark.parametrize("r_dry", (pytest.param(2.4e-09), pytest.param(2.5e-09)))
20
+ @pytest.mark.parametrize(
21
+ "surface_tension",
22
+ ("Constant", "CompressedFilmOvadnevaite", "SzyszkowskiLangmuir"),
23
+ )
24
+ def test_equilibrate_wet_radii(r_dry, surface_tension, plot=False):
25
+ # Arrange
26
+ T = 280.0
27
+ RH = 0.9
28
+ f_org = 0.607
29
+ kappa = 0.356
30
+
31
+ class Particulator: # pylint: disable=too-few-public-methods
32
+ formulae = Formulae(
33
+ surface_tension=surface_tension,
34
+ constants={
35
+ "sgm_org": 40 * si.mN / si.m,
36
+ "delta_min": 0.1 * si.nm,
37
+ "RUEHL_nu_org": 7.47e-05,
38
+ "RUEHL_A0": 2.5e-19 * si.m**2,
39
+ "RUEHL_C0": 1e-5,
40
+ "RUEHL_sgm_min": 40 * si.mN / si.m,
41
+ },
42
+ )
43
+
44
+ class Env: # pylint: disable=too-few-public-methods
45
+ particulator = Particulator()
46
+ thermo = {
47
+ "T": CPU.Storage.from_ndarray(np.full(1, T)),
48
+ "RH": CPU.Storage.from_ndarray(np.full(1, RH)),
49
+ }
50
+
51
+ def __getitem__(self, item):
52
+ return self.thermo[item]
53
+
54
+ r_dry_arr = np.full(1, r_dry)
55
+
56
+ # Plot
57
+ r_wet = np.logspace(np.log(0.9 * r_dry), np.log(10 * si.nm), base=np.e, num=100)
58
+ sigma = Env.particulator.formulae.surface_tension.sigma(
59
+ T,
60
+ Env.particulator.formulae.trivia.volume(r_wet),
61
+ Env.particulator.formulae.trivia.volume(r_dry),
62
+ f_org,
63
+ )
64
+ RH_eq = Env.particulator.formulae.hygroscopicity.RH_eq(
65
+ r_wet, T, kappa, r_dry**3, sigma
66
+ )
67
+
68
+ pyplot.plot(r_wet / si.nm, (RH_eq - 1) * 100, label="RH_eq")
69
+ pyplot.axhline((RH - 1) * 100, color="orange", label="RH")
70
+ pyplot.axvline(r_dry / si.nm, label="a", color="red")
71
+ pyplot.axvline(
72
+ Env.particulator.formulae.hygroscopicity.r_cr(
73
+ kappa, r_dry**3, T, const.sgm_w
74
+ )
75
+ / si.nm,
76
+ color="green",
77
+ label="b",
78
+ )
79
+ pyplot.grid()
80
+ pyplot.xscale("log")
81
+ pyplot.xlabel("Wet radius [nm]")
82
+ pyplot.xlim(r_wet[0] / si.nm, r_wet[-1] / si.nm)
83
+ pyplot.ylabel("Equilibrium supersaturation [%]")
84
+ pyplot.legend()
85
+ if plot:
86
+ pyplot.show()
87
+ else:
88
+ pyplot.clf()
89
+
90
+ # Act
91
+ env = Env()
92
+ r_wet = equilibrate_wet_radii(
93
+ r_dry=r_dry_arr,
94
+ environment=env,
95
+ kappa_times_dry_volume=Env.particulator.formulae.trivia.volume(r_dry_arr)
96
+ * kappa,
97
+ f_org=np.full_like(r_dry_arr, f_org),
98
+ )
99
+
100
+ # Assert
101
+ assert (r_wet >= r_dry_arr).all()
102
+
103
+ @staticmethod
104
+ @pytest.mark.parametrize(
105
+ "kappas, temperature, relative_humidity",
106
+ (
107
+ pytest.param([0.0], 300 * si.K, 0.95, marks=pytest.mark.xfail(strict=True)),
108
+ ([0.5, 1.0, 1.5], 300 * si.K, 0.95),
109
+ ([0.5, 1.0, 1.5], 250 * si.K, 0.75),
110
+ ),
111
+ )
112
+ def test_equilibrate_dry_radii(
113
+ kappas, temperature, relative_humidity, backend_instance, plot=False
114
+ ):
115
+ # arrange
116
+ r_wet = np.logspace(-8, -3, num=10)
117
+ builder = Builder(
118
+ environment=Box(dv=np.nan, dt=np.nan),
119
+ backend=backend_instance,
120
+ n_sd=len(r_wet),
121
+ )
122
+ builder.particulator.environment["T"] = temperature
123
+ builder.particulator.environment["RH"] = relative_humidity
124
+
125
+ # act
126
+ r_dry = {}
127
+ for kappa in kappas:
128
+ r_dry[kappa] = equilibrate_dry_radii(
129
+ r_wet=r_wet,
130
+ environment=builder.particulator.environment,
131
+ kappa=kappa if kappa is np.ndarray else np.full_like(r_wet, kappa),
132
+ )
133
+
134
+ # plot
135
+ for kappa in kappas:
136
+ pyplot.loglog(r_wet, r_dry[kappa], label=f"{kappa=}")
137
+ pyplot.gca().set(
138
+ ylim=(r_wet[0], r_wet[-1]),
139
+ xlabel="wet radius [m]",
140
+ ylabel="dry radius [m]",
141
+ title=f"{temperature=} {relative_humidity=}",
142
+ )
143
+ pyplot.grid()
144
+ pyplot.legend()
145
+ if plot:
146
+ pyplot.show()
147
+ else:
148
+ pyplot.clf()
149
+
150
+ # assert
151
+ assert (np.diff(kappas) > 0).all()
152
+ kappa_prev = None
153
+ for kappa in kappas:
154
+ assert (r_dry[kappa] < r_wet).all()
155
+
156
+ if kappa_prev is not None:
157
+ assert (r_dry[kappa] < r_dry[kappa_prev]).all()
158
+ kappa_prev = kappa
159
+
160
+ np.testing.assert_allclose(
161
+ rtol=1e-5,
162
+ desired=r_wet,
163
+ actual=equilibrate_wet_radii(
164
+ r_dry=r_dry[kappa],
165
+ kappa_times_dry_volume=kappa
166
+ * builder.particulator.formulae.trivia.volume(r_dry[kappa]),
167
+ environment=builder.particulator.environment,
168
+ ),
169
+ )