musica 0.11.1.4__cp39-cp39-win32.whl → 0.12.0__cp39-cp39-win32.whl

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Files changed (39) hide show
  1. musica/_musica.cp39-win32.pyd +0 -0
  2. musica/_version.py +1 -1
  3. musica/constants.py +3 -0
  4. musica/mechanism_configuration/__init__.py +1 -0
  5. musica/mechanism_configuration/aqueous_equilibrium.py +101 -0
  6. musica/mechanism_configuration/arrhenius.py +121 -0
  7. musica/mechanism_configuration/branched.py +116 -0
  8. musica/mechanism_configuration/condensed_phase_arrhenius.py +116 -0
  9. musica/mechanism_configuration/condensed_phase_photolysis.py +91 -0
  10. musica/mechanism_configuration/emission.py +67 -0
  11. musica/mechanism_configuration/first_order_loss.py +67 -0
  12. musica/mechanism_configuration/henrys_law.py +85 -0
  13. musica/mechanism_configuration/mechanism_configuration.py +161 -0
  14. musica/mechanism_configuration/phase.py +43 -0
  15. musica/mechanism_configuration/photolysis.py +83 -0
  16. musica/mechanism_configuration/reactions.py +61 -0
  17. musica/mechanism_configuration/simpol_phase_transfer.py +88 -0
  18. musica/mechanism_configuration/species.py +72 -0
  19. musica/mechanism_configuration/surface.py +89 -0
  20. musica/mechanism_configuration/troe.py +137 -0
  21. musica/mechanism_configuration/tunneling.py +103 -0
  22. musica/mechanism_configuration/user_defined.py +83 -0
  23. musica/mechanism_configuration/utils.py +10 -0
  24. musica/mechanism_configuration/wet_deposition.py +49 -0
  25. musica/mechanism_configuration.cpp +0 -1
  26. musica/test/examples/v1/full_configuration/full_configuration.json +30 -15
  27. musica/test/examples/v1/full_configuration/full_configuration.yaml +16 -1
  28. musica/test/test_analytical.py +1 -1
  29. musica/test/test_parser.py +3 -639
  30. musica/test/test_serializer.py +69 -0
  31. musica/test/test_util_full_mechanism.py +668 -0
  32. musica/types.py +1 -4
  33. {musica-0.11.1.4.dist-info → musica-0.12.0.dist-info}/METADATA +61 -46
  34. musica-0.12.0.dist-info/RECORD +57 -0
  35. musica-0.12.0.dist-info/licenses/AUTHORS.md +59 -0
  36. musica/mechanism_configuration.py +0 -1291
  37. musica-0.11.1.4.dist-info/RECORD +0 -33
  38. {musica-0.11.1.4.dist-info → musica-0.12.0.dist-info}/WHEEL +0 -0
  39. {musica-0.11.1.4.dist-info → musica-0.12.0.dist-info}/licenses/LICENSE +0 -0
musica/test/examples/v1/full_configuration/full_configuration.yaml CHANGED
@@ -72,6 +72,7 @@ reactions:
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  aerosol-phase species: H2O2_aq
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  aerosol-phase water: H2O_aq
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  name: my henry's law
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+ __irrelevant: "2"
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  - type: SIMPOL_PHASE_TRANSFER
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  gas phase: gas
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  gas-phase species: ethanol
@@ -83,6 +84,7 @@ reactions:
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  - 0.00196
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  - -0.496
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  name: my simpol
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+ __irrelevant: "2"
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  - type: AQUEOUS_EQUILIBRIUM
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  aerosol phase: aqueous aerosol
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  aerosol-phase water: H2O_aq
@@ -98,6 +100,7 @@ reactions:
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  - species name: C
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  coefficient: 1
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  name: my aqueous eq
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+ __irrelevant: "2"
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  - type: CONDENSED_PHASE_ARRHENIUS
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  aerosol phase: aqueous aerosol
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  aerosol-phase water: H2O_aq
@@ -115,6 +118,7 @@ reactions:
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  - species name: ethanol_aq
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  coefficient: 1
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  name: my condensed arrhenius
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+ __irrelevant: "2"
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  - type: CONDENSED_PHASE_ARRHENIUS
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  aerosol phase: aqueous aerosol
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  aerosol-phase water: H2O_aq
@@ -143,6 +147,7 @@ reactions:
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  coefficient: 1
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  scaling factor: 12.3
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  name: condensed photo B
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+ __irrelevant: "2"
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  - type: EMISSION
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  gas phase: gas
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  products:
@@ -150,6 +155,7 @@ reactions:
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  coefficient: 1
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  name: my emission
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  scaling factor: 12.3
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+ __irrelevant: "2"
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  - type: FIRST_ORDER_LOSS
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  gas phase: gas
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  reactants:
@@ -157,6 +163,7 @@ reactions:
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  coefficient: 1
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  name: my first order loss
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  scaling factor: 12.3
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+ __irrelevant: "2"
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  - type: PHOTOLYSIS
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  gas phase: gas
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  reactants:
@@ -167,6 +174,7 @@ reactions:
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  coefficient: 1
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  name: photo B
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  scaling factor: 12.3
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+ __irrelevant: "2"
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  - type: SURFACE
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  gas phase: gas
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  gas-phase species: A
@@ -178,6 +186,7 @@ reactions:
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  coefficient: 1
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  aerosol phase: surface reacting phase
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  name: my surface
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+ __irrelevant: "2"
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  - type: TROE
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  gas phase: gas
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  reactants:
@@ -197,6 +206,7 @@ reactions:
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  Fc: 0.9
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  N: 0.8
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  name: my troe
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+ __irrelevant: "2"
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  - type: BRANCHED_NO_RO2
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  gas phase: gas
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  reactants:
@@ -213,6 +223,7 @@ reactions:
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  a0: 0.15
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  "n": 9
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  name: my branched
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+ __irrelevant: "2"
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  - gas phase: gas
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  type: TUNNELING
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  name: "my tunneling"
@@ -225,10 +236,12 @@ reactions:
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  products:
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  - species name: C
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  coefficient: 1
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+ __irrelevant: "2"
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  - type: WET_DEPOSITION
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  aerosol phase: cloud
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  name: rxn cloud
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  scaling factor: 12.3
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+ __irrelevant: "2"
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  - type: ARRHENIUS
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  gas phase: gas
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  reactants:
@@ -243,6 +256,7 @@ reactions:
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  D: 63.4
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  E: -1.3
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  name: my arrhenius
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+ __irrelevant: "2"
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  - type: ARRHENIUS
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  gas phase: gas
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  reactants:
@@ -268,4 +282,5 @@ reactions:
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  - species name: C
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  coefficient: 1.3
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  name: my user defined
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- scaling factor: 12.3
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+ scaling factor: 12.3
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+ __irrelevant: "2"
musica/test/test_analytical.py CHANGED
@@ -4,12 +4,12 @@ import musica
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  import random
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  import musica.mechanism_configuration as mc
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  from musica.cuda import is_cuda_available
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+ from musica.constants import GAS_CONSTANT
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  def TestSingleGridCell(solver, state, time_step, places=5):
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  temperature = 272.5
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  pressure = 101253.3
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- GAS_CONSTANT = 8.31446261815324
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  air_density = pressure / (GAS_CONSTANT * temperature)
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  rate_constants = {