musica 0.12.2__cp39-cp39-win_arm64.whl → 0.13.0__cp39-cp39-win_arm64.whl
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- musica/CMakeLists.txt +4 -0
- musica/_musica.cp39-win_amd64.pyd +0 -0
- musica/_version.py +1 -1
- musica/binding_common.cpp +6 -9
- musica/binding_common.hpp +17 -1
- musica/grid.cpp +206 -0
- musica/grid.py +98 -0
- musica/grid_map.cpp +117 -0
- musica/grid_map.py +167 -0
- musica/mechanism_configuration/__init__.py +18 -1
- musica/mechanism_configuration/ancillary.py +6 -0
- musica/mechanism_configuration/arrhenius.py +111 -269
- musica/mechanism_configuration/branched.py +116 -275
- musica/mechanism_configuration/emission.py +63 -52
- musica/mechanism_configuration/first_order_loss.py +73 -157
- musica/mechanism_configuration/mechanism.py +93 -0
- musica/mechanism_configuration/phase.py +44 -33
- musica/mechanism_configuration/phase_species.py +58 -0
- musica/mechanism_configuration/photolysis.py +77 -67
- musica/mechanism_configuration/reaction_component.py +54 -0
- musica/mechanism_configuration/reactions.py +17 -58
- musica/mechanism_configuration/species.py +45 -71
- musica/mechanism_configuration/surface.py +78 -74
- musica/mechanism_configuration/taylor_series.py +136 -0
- musica/mechanism_configuration/ternary_chemical_activation.py +138 -330
- musica/mechanism_configuration/troe.py +138 -330
- musica/mechanism_configuration/tunneling.py +105 -229
- musica/mechanism_configuration/user_defined.py +79 -68
- musica/mechanism_configuration.cpp +54 -162
- musica/musica.cpp +2 -5
- musica/profile.cpp +294 -0
- musica/profile.py +93 -0
- musica/profile_map.cpp +117 -0
- musica/profile_map.py +167 -0
- musica/test/examples/v1/full_configuration/full_configuration.json +91 -233
- musica/test/examples/v1/full_configuration/full_configuration.yaml +191 -290
- musica/test/integration/test_chapman.py +2 -2
- musica/test/integration/test_tuvx.py +72 -15
- musica/test/unit/test_grid.py +137 -0
- musica/test/unit/test_grid_map.py +126 -0
- musica/test/unit/test_parser.py +10 -10
- musica/test/unit/test_profile.py +169 -0
- musica/test/unit/test_profile_map.py +137 -0
- musica/test/unit/test_serializer.py +17 -16
- musica/test/unit/test_state.py +17 -4
- musica/test/unit/test_util_full_mechanism.py +78 -298
- musica/tuvx.cpp +94 -15
- musica/tuvx.py +92 -22
- musica/types.py +13 -5
- {musica-0.12.2.dist-info → musica-0.13.0.dist-info}/METADATA +14 -14
- musica-0.13.0.dist-info/RECORD +80 -0
- musica/mechanism_configuration/aqueous_equilibrium.py +0 -274
- musica/mechanism_configuration/condensed_phase_arrhenius.py +0 -309
- musica/mechanism_configuration/condensed_phase_photolysis.py +0 -88
- musica/mechanism_configuration/henrys_law.py +0 -44
- musica/mechanism_configuration/mechanism_configuration.py +0 -234
- musica/mechanism_configuration/simpol_phase_transfer.py +0 -217
- musica/mechanism_configuration/wet_deposition.py +0 -52
- musica-0.12.2.dist-info/RECORD +0 -70
- {musica-0.12.2.dist-info → musica-0.13.0.dist-info}/WHEEL +0 -0
- {musica-0.12.2.dist-info → musica-0.13.0.dist-info}/entry_points.txt +0 -0
- {musica-0.12.2.dist-info → musica-0.13.0.dist-info}/licenses/AUTHORS.md +0 -0
- {musica-0.12.2.dist-info → musica-0.13.0.dist-info}/licenses/LICENSE +0 -0
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"species": [
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"name": "A",
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"molecular weight [kg mol-1]": 0.02897,
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"__absolute tolerance": 1.0e-30
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"name": "M"
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"name": "H2O2",
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"HLC(298K) [mol m-3 Pa-1]": 1.011596348,
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"HLC exponential factor [K]": 6340,
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"diffusion coefficient [m2 s-1]": 1.46E-05,
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"N star": 1.74,
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"molecular weight [kg mol-1]": 0.0340147,
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"diffusion coefficient [m2 s-1]": 0.95E-05,
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"molecular weight [kg mol-1]": 0.04607,
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"molecular weight [kg mol-1]": 0.04607,
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"molecular weight [kg mol-1]": 0.5,
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"density [kg m-3]": 1000.0,
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"gas-phase species": "ethanol",
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"condensed phase": "aqueous aerosol",
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"condensed-phase species": "ethanol_aq",
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"type": "AQUEOUS_EQUILIBRIUM",
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"condensed phase": "aqueous aerosol",
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"condensed-phase water": "H2O_aq",
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"A": 1.14e-2,
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"diffusion coefficient [m2 s-1]": 1.0
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"A": 123.45,
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"D": 300.0,
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"E": -1.3,
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"B": -1.5,
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"Ea": 101.2,
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"D": 82.6,
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"E": -0.98,
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|
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"A": 29.3,
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|
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"B": -1.5,
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"Ea": 101.2,
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"D": 82.6,
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"E": -0.98,
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|
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"name": "my other arrhenius"
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"name": "my user defined",
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|
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"scaling factor": 12.3,
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"__irrelevant": "2"
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},
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{
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"type": "TAYLOR_SERIES",
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"name": "my taylor series",
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"A": 12.3,
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"B": -1.5,
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"C": 1.0e-6,
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"D": 340.0,
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"E": 0.00032,
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"taylor coefficients": [
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1.0,
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0.1,
|
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-0.01
|
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],
|
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"gas phase": "gas",
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"reactants": [
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{
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"species name": "B",
|
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"coefficient": 1
|
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}
|
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|
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],
|
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"products": [
|
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{
|
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|
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"species name": "C",
|
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"coefficient": 1
|
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|
+
}
|
|
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|
+
]
|
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|
}
|
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|
]
|
|
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|
}
|