PyPI - musica - Versions diffs - 0.11.1.4__cp311-cp311-macosx_11_0_arm64.whl → 0.12.0__cp311-cp311-macosx_11_0_arm64.whl - Mend

musica 0.11.1.4__cp311-cp311-macosx_11_0_arm64.whl → 0.12.0__cp311-cp311-macosx_11_0_arm64.whl

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Files changed (39) hide show

musica/_musica.cpython-311-darwin.so +0 -0
musica/_version.py +1 -1
musica/constants.py +3 -0
musica/mechanism_configuration/__init__.py +1 -0
musica/mechanism_configuration/aqueous_equilibrium.py +101 -0
musica/mechanism_configuration/arrhenius.py +121 -0
musica/mechanism_configuration/branched.py +116 -0
musica/mechanism_configuration/condensed_phase_arrhenius.py +116 -0
musica/mechanism_configuration/condensed_phase_photolysis.py +91 -0
musica/mechanism_configuration/emission.py +67 -0
musica/mechanism_configuration/first_order_loss.py +67 -0
musica/mechanism_configuration/henrys_law.py +85 -0
musica/mechanism_configuration/mechanism_configuration.py +161 -0
musica/mechanism_configuration/phase.py +43 -0
musica/mechanism_configuration/photolysis.py +83 -0
musica/mechanism_configuration/reactions.py +61 -0
musica/mechanism_configuration/simpol_phase_transfer.py +88 -0
musica/mechanism_configuration/species.py +72 -0
musica/mechanism_configuration/surface.py +89 -0
musica/mechanism_configuration/troe.py +137 -0
musica/mechanism_configuration/tunneling.py +103 -0
musica/mechanism_configuration/user_defined.py +83 -0
musica/mechanism_configuration/utils.py +10 -0
musica/mechanism_configuration/wet_deposition.py +49 -0
musica/mechanism_configuration.cpp +0 -1
musica/test/examples/v1/full_configuration/full_configuration.json +30 -15
musica/test/examples/v1/full_configuration/full_configuration.yaml +16 -1
musica/test/test_analytical.py +1 -1
musica/test/test_parser.py +3 -639
musica/test/test_serializer.py +69 -0
musica/test/test_util_full_mechanism.py +668 -0
musica/types.py +1 -4
{musica-0.11.1.4.dist-info → musica-0.12.0.dist-info}/METADATA +61 -46
musica-0.12.0.dist-info/RECORD +57 -0
musica-0.12.0.dist-info/licenses/AUTHORS.md +59 -0
musica/mechanism_configuration.py +0 -1291
musica-0.11.1.4.dist-info/RECORD +0 -33
{musica-0.11.1.4.dist-info → musica-0.12.0.dist-info}/WHEEL +0 -0
{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 Viewed

@@ -72,6 +72,7 @@ reactions:
   aerosol-phase species: H2O2_aq
   aerosol-phase water: H2O_aq
   name: my henry's law
+  __irrelevant: "2"
 - type: SIMPOL_PHASE_TRANSFER
   gas phase: gas
   gas-phase species: ethanol
@@ -83,6 +84,7 @@ reactions:
   - 0.00196
   - -0.496
   name: my simpol
+  __irrelevant: "2"
 - type: AQUEOUS_EQUILIBRIUM
   aerosol phase: aqueous aerosol
   aerosol-phase water: H2O_aq
@@ -98,6 +100,7 @@ reactions:
   - species name: C
     coefficient: 1
   name: my aqueous eq
+  __irrelevant: "2"
 - type: CONDENSED_PHASE_ARRHENIUS
   aerosol phase: aqueous aerosol
   aerosol-phase water: H2O_aq
@@ -115,6 +118,7 @@ reactions:
   - species name: ethanol_aq
     coefficient: 1
   name: my condensed arrhenius
+  __irrelevant: "2"
 - type: CONDENSED_PHASE_ARRHENIUS
   aerosol phase: aqueous aerosol
   aerosol-phase water: H2O_aq
@@ -143,6 +147,7 @@ reactions:
     coefficient: 1
   scaling factor: 12.3
   name: condensed photo B
+  __irrelevant: "2"
 - type: EMISSION
   gas phase: gas
   products:
@@ -150,6 +155,7 @@ reactions:
     coefficient: 1
   name: my emission
   scaling factor: 12.3
+  __irrelevant: "2"
 - type: FIRST_ORDER_LOSS
   gas phase: gas
   reactants:
@@ -157,6 +163,7 @@ reactions:
     coefficient: 1
   name: my first order loss
   scaling factor: 12.3
+  __irrelevant: "2"
 - type: PHOTOLYSIS
   gas phase: gas
   reactants:
@@ -167,6 +174,7 @@ reactions:
     coefficient: 1
   name: photo B
   scaling factor: 12.3
+  __irrelevant: "2"
 - type: SURFACE
   gas phase: gas
   gas-phase species: A
@@ -178,6 +186,7 @@ reactions:
     coefficient: 1
   aerosol phase: surface reacting phase
   name: my surface
+  __irrelevant: "2"
 - type: TROE
   gas phase: gas
   reactants:
@@ -197,6 +206,7 @@ reactions:
   Fc: 0.9
   N: 0.8
   name: my troe
+  __irrelevant: "2"
 - type: BRANCHED_NO_RO2
   gas phase: gas
   reactants:
@@ -213,6 +223,7 @@ reactions:
   a0: 0.15
   "n": 9
   name: my branched
+  __irrelevant: "2"
 - gas phase: gas
   type: TUNNELING
   name: "my tunneling"
@@ -225,10 +236,12 @@ reactions:
   products:
   - species name: C
     coefficient: 1
+  __irrelevant: "2"
 - type: WET_DEPOSITION
   aerosol phase: cloud
   name: rxn cloud
   scaling factor: 12.3
+  __irrelevant: "2"
 - type: ARRHENIUS
   gas phase: gas
   reactants:
@@ -243,6 +256,7 @@ reactions:
   D: 63.4
   E: -1.3
   name: my arrhenius
+  __irrelevant: "2"
 - type: ARRHENIUS
   gas phase: gas
   reactants:
@@ -268,4 +282,5 @@ reactions:
   - species name: C
     coefficient: 1.3
   name: my user defined
-  scaling factor: 12.3
+  scaling factor: 12.3
+  __irrelevant: "2"

musica/test/test_analytical.py CHANGED Viewed

@@ -4,12 +4,12 @@ import musica
 import random
 import musica.mechanism_configuration as mc
 from musica.cuda import is_cuda_available
+from musica.constants import GAS_CONSTANT
 def TestSingleGridCell(solver, state, time_step, places=5):
     temperature = 272.5
     pressure = 101253.3
-    GAS_CONSTANT = 8.31446261815324
     air_density = pressure / (GAS_CONSTANT * temperature)
     rate_constants = {