musica 0.12.2__cp311-cp311-manylinux_2_26_i686.manylinux_2_28_i686.whl

musica/mechanism_configuration/utils.py

@@ -0,0 +1,10 @@
+from typing import Dict
+
+
+def _remove_empty_keys(dictionary: Dict) -> Dict:
+    return {k: v for k, v in dictionary.items() if v is not None and v != "" and v != [] and v != {}}
+
+
+def _add_other_properties(serialize_dict: Dict, other_properties: Dict) -> None:
+    for key in other_properties:
+        serialize_dict[key] = other_properties[key]

musica/mechanism_configuration/wet_deposition.py

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+from typing import Optional, Any, Dict
+from .. import backend
+from .phase import Phase
+from .utils import _add_other_properties
+
+_backend = backend.get_backend()
+_WetDeposition = _backend._mechanism_configuration._WetDeposition
+
+
+class WetDeposition(_WetDeposition):
+    """
+    A class representing a wet deposition reaction rate constant.
+
+    Attributes:
+        name (str): The name of the wet deposition reaction rate constant.
+        scaling_factor (float): The scaling factor for the wet deposition rate constant.
+        condensed_phase (Phase): The condensed phase which undergoes wet deposition.
+        unknown_properties (Dict[str, Any]): A dictionary of other properties of the wet deposition reaction rate constant.
+    """
+
+    def __init__(
+        self,
+        name: Optional[str] = None,
+        scaling_factor: Optional[float] = None,
+        condensed_phase: Optional[Phase] = None,
+        other_properties: Optional[Dict[str, Any]] = None,
+    ):
+        """
+        Initializes the WetDeposition object with the given parameters.
+
+        Args:
+            name (str): The name of the wet deposition reaction rate constant.
+            scaling_factor (float): The scaling factor for the wet deposition rate constant.
+            condensed_phase (Phase): The condensed phase which undergoes wet deposition.
+            other_properties (Dict[str, Any]): A dictionary of other properties of the wet deposition reaction rate constant.
+        """
+        super().__init__()
+        self.name = name if name is not None else self.name
+        self.scaling_factor = scaling_factor if scaling_factor is not None else self.scaling_factor
+        self.condensed_phase = condensed_phase.name if condensed_phase is not None else self.condensed_phase
+        self.other_properties = other_properties if other_properties is not None else self.other_properties
+
+    @staticmethod
+    def serialize(instance) -> Dict:
+        serialize_dict = {
+            "type": "WET_DEPOSITION",
+            "name": instance.name,
+            "scaling factor": instance.scaling_factor,
+            "condensed phase": instance.condensed_phase,
+        }
+        _add_other_properties(serialize_dict, instance.other_properties)
+        return serialize_dict

musica/mechanism_configuration.cpp

@@ -0,0 +1,607 @@
+// Copyright (C) 2025 University Corporation for Atmospheric Research
+// SPDX-License-Identifier: Apache-2.0
+#include <musica/micm/parse.hpp>
+
+#include <mechanism_configuration/constants.hpp>
+#include <mechanism_configuration/v1/parser.hpp>
+#include <mechanism_configuration/v1/reaction_types.hpp>
+#include <mechanism_configuration/v1/types.hpp>
+#include <mechanism_configuration/v1/validation.hpp>
+#include <pybind11/pybind11.h>
+#include <pybind11/stl.h>
+
+#include <variant>
+
+namespace py = pybind11;
+namespace constants = mechanism_configuration::constants;
+namespace validation = mechanism_configuration::v1::validation;
+using namespace mechanism_configuration::v1::types;
+
+enum class ReactionType
+{
+  Arrhenius,
+  Branched,
+  CondensedPhaseArrhenius,
+  CondensedPhasePhotolysis,
+  Emission,
+  FirstOrderLoss,
+  SimpolPhaseTransfer,
+  AqueousEquilibrium,
+  WetDeposition,
+  HenrysLaw,
+  Photolysis,
+  Surface,
+  Troe,
+  TernaryChemicalActivation,
+  Tunneling,
+  UserDefined
+};
+
+struct ReactionsIterator
+{
+  using VariantType = std::variant<
+      Arrhenius,
+      Branched,
+      CondensedPhaseArrhenius,
+      CondensedPhasePhotolysis,
+      Emission,
+      FirstOrderLoss,
+      SimpolPhaseTransfer,
+      AqueousEquilibrium,
+      WetDeposition,
+      HenrysLaw,
+      Photolysis,
+      Surface,
+      Troe,
+      TernaryChemicalActivation,
+      Tunneling,
+      UserDefined>;
+
+  std::vector<std::vector<VariantType>> reaction_lists;
+  size_t outer_index = 0;
+  size_t inner_index = 0;
+
+  ReactionsIterator(Reactions &reactions)
+      : reaction_lists{
+          std::vector<VariantType>(reactions.arrhenius.begin(), reactions.arrhenius.end()),
+          std::vector<VariantType>(reactions.branched.begin(), reactions.branched.end()),
+          std::vector<VariantType>(reactions.condensed_phase_arrhenius.begin(), reactions.condensed_phase_arrhenius.end()),
+          std::vector<VariantType>(reactions.condensed_phase_photolysis.begin(), reactions.condensed_phase_photolysis.end()),
+          std::vector<VariantType>(reactions.emission.begin(), reactions.emission.end()),
+          std::vector<VariantType>(reactions.first_order_loss.begin(), reactions.first_order_loss.end()),
+          std::vector<VariantType>(reactions.simpol_phase_transfer.begin(), reactions.simpol_phase_transfer.end()),
+          std::vector<VariantType>(reactions.aqueous_equilibrium.begin(), reactions.aqueous_equilibrium.end()),
+          std::vector<VariantType>(reactions.wet_deposition.begin(), reactions.wet_deposition.end()),
+          std::vector<VariantType>(reactions.henrys_law.begin(), reactions.henrys_law.end()),
+          std::vector<VariantType>(reactions.photolysis.begin(), reactions.photolysis.end()),
+          std::vector<VariantType>(reactions.surface.begin(), reactions.surface.end()),
+          std::vector<VariantType>(reactions.troe.begin(), reactions.troe.end()),
+          std::vector<VariantType>(
+              reactions.ternary_chemical_activation.begin(),
+              reactions.ternary_chemical_activation.end()),
+          std::vector<VariantType>(reactions.tunneling.begin(), reactions.tunneling.end()),
+          std::vector<VariantType>(reactions.user_defined.begin(), reactions.user_defined.end())
+        }
+  {
+  }
+
+  py::object next()
+  {
+    while (outer_index < reaction_lists.size())
+    {
+      const auto &vec = reaction_lists[outer_index];
+      if (inner_index < vec.size())
+      {
+        return std::visit([](auto &&arg) { return py::cast(arg); }, vec[inner_index++]);
+      }
+      ++outer_index;
+      inner_index = 0;
+    }
+    throw py::stop_iteration();
+  }
+};
+
+std::vector<ReactionComponent> get_reaction_components(const py::list &components)
+{
+  std::vector<ReactionComponent> reaction_components;
+  for (const auto &item : components)
+  {
+    if (py::isinstance<Species>(item))
+    {
+      ReactionComponent component;
+      component.species_name = item.cast<Species>().name;
+      reaction_components.push_back(component);
+    }
+    else if (py::isinstance<py::tuple>(item) && py::len(item.cast<py::tuple>()) == 2)
+    {
+      auto item_tuple = item.cast<py::tuple>();
+      if (py::isinstance<py::float_>(item_tuple[0]) && py::isinstance<Species>(item_tuple[1]))
+      {
+        ReactionComponent component;
+        component.species_name = item_tuple[1].cast<Species>().name;
+        component.coefficient = item_tuple[0].cast<double>();
+        reaction_components.push_back(component);
+      }
+      else if (py::isinstance<py::int_>(item_tuple[0]) && py::isinstance<Species>(item_tuple[1]))
+      {
+        ReactionComponent component;
+        component.species_name = item_tuple[1].cast<Species>().name;
+        component.coefficient = item_tuple[0].cast<int>();
+        reaction_components.push_back(component);
+      }
+      else
+      {
+        throw py::value_error("Invalid tuple format. Expected (float, Species).");
+      }
+    }
+    else
+    {
+      throw py::value_error("Invalid type for reactant. Expected a Species or a tuple of (float, Species).");
+    }
+  }
+  std::unordered_set<std::string> component_names;
+  for (const auto &component : reaction_components)
+  {
+    if (!component_names.insert(component.species_name).second)
+    {
+      throw py::value_error("Duplicate reaction component name found: " + component.species_name);
+    }
+  }
+  return reaction_components;
+}
+
+Reactions create_reactions(const py::list &reactions)
+{
+  Reactions reaction_obj;
+  for (const auto &item : reactions)
+  {
+    if (py::isinstance<Arrhenius>(item))
+    {
+      reaction_obj.arrhenius.push_back(item.cast<Arrhenius>());
+    }
+    else if (py::isinstance<Branched>(item))
+    {
+      reaction_obj.branched.push_back(item.cast<Branched>());
+    }
+    else if (py::isinstance<CondensedPhaseArrhenius>(item))
+    {
+      reaction_obj.condensed_phase_arrhenius.push_back(item.cast<CondensedPhaseArrhenius>());
+    }
+    else if (py::isinstance<CondensedPhasePhotolysis>(item))
+    {
+      reaction_obj.condensed_phase_photolysis.push_back(item.cast<CondensedPhasePhotolysis>());
+    }
+    else if (py::isinstance<Emission>(item))
+    {
+      reaction_obj.emission.push_back(item.cast<Emission>());
+    }
+    else if (py::isinstance<FirstOrderLoss>(item))
+    {
+      reaction_obj.first_order_loss.push_back(item.cast<FirstOrderLoss>());
+    }
+    else if (py::isinstance<SimpolPhaseTransfer>(item))
+    {
+      reaction_obj.simpol_phase_transfer.push_back(item.cast<SimpolPhaseTransfer>());
+    }
+    else if (py::isinstance<AqueousEquilibrium>(item))
+    {
+      reaction_obj.aqueous_equilibrium.push_back(item.cast<AqueousEquilibrium>());
+    }
+    else if (py::isinstance<WetDeposition>(item))
+    {
+      reaction_obj.wet_deposition.push_back(item.cast<WetDeposition>());
+    }
+    else if (py::isinstance<HenrysLaw>(item))
+    {
+      reaction_obj.henrys_law.push_back(item.cast<HenrysLaw>());
+    }
+    else if (py::isinstance<Photolysis>(item))
+    {
+      reaction_obj.photolysis.push_back(item.cast<Photolysis>());
+    }
+    else if (py::isinstance<Surface>(item))
+    {
+      reaction_obj.surface.push_back(item.cast<Surface>());
+    }
+    else if (py::isinstance<Troe>(item))
+    {
+      reaction_obj.troe.push_back(item.cast<Troe>());
+    }
+    else if (py::isinstance<TernaryChemicalActivation>(item))
+    {
+      reaction_obj.ternary_chemical_activation.push_back(item.cast<TernaryChemicalActivation>());
+    }
+    else if (py::isinstance<Tunneling>(item))
+    {
+      reaction_obj.tunneling.push_back(item.cast<Tunneling>());
+    }
+    else if (py::isinstance<UserDefined>(item))
+    {
+      reaction_obj.user_defined.push_back(item.cast<UserDefined>());
+    }
+    else
+    {
+      throw py::value_error("Invalid reaction type.");
+    }
+  }
+  return reaction_obj;
+}
+
+void bind_mechanism_configuration(py::module_ &mechanism_configuration)
+{
+  py::enum_<ReactionType>(mechanism_configuration, "_ReactionType")
+      .value("Arrhenius", ReactionType::Arrhenius)
+      .value("Branched", ReactionType::Branched)
+      .value("CondensedPhaseArrhenius", ReactionType::CondensedPhaseArrhenius)
+      .value("CondensedPhasePhotolysis", ReactionType::CondensedPhasePhotolysis)
+      .value("Emission", ReactionType::Emission)
+      .value("FirstOrderLoss", ReactionType::FirstOrderLoss)
+      .value("SimpolPhaseTransfer", ReactionType::SimpolPhaseTransfer)
+      .value("AqueousEquilibrium", ReactionType::AqueousEquilibrium)
+      .value("WetDeposition", ReactionType::WetDeposition)
+      .value("HenrysLaw", ReactionType::HenrysLaw)
+      .value("Photolysis", ReactionType::Photolysis)
+      .value("Surface", ReactionType::Surface)
+      .value("Troe", ReactionType::Troe)
+      .value("TernaryChemicalActivation", ReactionType::TernaryChemicalActivation)
+      .value("Tunneling", ReactionType::Tunneling)
+      .value("UserDefined", ReactionType::UserDefined);
+
+  py::class_<Species>(mechanism_configuration, "_Species")
+      .def(py::init<>())
+      .def_readwrite("name", &Species::name)
+      .def_readwrite("absolute_tolerance", &Species::absolute_tolerance)
+      .def_readwrite("diffusion_coefficient_m2_s", &Species::diffusion_coefficient)
+      .def_readwrite("molecular_weight_kg_mol", &Species::molecular_weight)
+      .def_readwrite("HLC_298K_mol_m3_Pa", &Species::henrys_law_constant_298)
+      .def_readwrite("HLC_exponential_factor_K", &Species::henrys_law_constant_exponential_factor)
+      .def_readwrite("N_star", &Species::n_star)
+      .def_readwrite("density_kg_m3", &Species::density)
+      .def_readwrite("tracer_type", &Species::tracer_type)
+      .def_readwrite("constant_concentration_mol_m3", &Species::constant_concentration)
+      .def_readwrite("constant_mixing_ratio_mol_mol", &Species::constant_mixing_ratio)
+      .def_readwrite("is_third_body", &Species::is_third_body)
+      .def_readwrite("other_properties", &Species::unknown_properties)
+      .def("__str__", [](const Species &s) { return s.name; })
+      .def("__repr__", [](const Species &s) { return "<Species: " + s.name + ">"; });
+
+  py::class_<Phase>(mechanism_configuration, "_Phase")
+      .def(py::init<>())
+      .def_readwrite("name", &Phase::name)
+      .def_readwrite("species", &Phase::species)
+      .def_readwrite("other_properties", &Phase::unknown_properties)
+      .def("__str__", [](const Phase &p) { return p.name; })
+      .def("__repr__", [](const Phase &p) { return "<Phase: " + p.name + ">"; });
+
+  py::class_<ReactionComponent>(mechanism_configuration, "_ReactionComponent")
+      .def(py::init<>())
+      .def(py::init(
+          [](const std::string &species_name)
+          {
+            ReactionComponent rc;
+            rc.species_name = species_name;
+            return rc;
+          }))
+      .def(py::init(
+          [](const std::string &species_name, double coefficient)
+          {
+            ReactionComponent rc;
+            rc.species_name = species_name;
+            rc.coefficient = coefficient;
+            return rc;
+          }))
+      .def_readwrite("species_name", &ReactionComponent::species_name)
+      .def_readwrite("coefficient", &ReactionComponent::coefficient)
+      .def_readwrite("other_properties", &ReactionComponent::unknown_properties)
+      .def("__str__", [](const ReactionComponent &rc) { return rc.species_name; })
+      .def("__repr__", [](const ReactionComponent &rc) { return "<ReactionComponent: " + rc.species_name + ">"; });
+
+  py::class_<Arrhenius>(mechanism_configuration, "_Arrhenius")
+      .def(py::init<>())
+      .def_readwrite("A", &Arrhenius::A)
+      .def_readwrite("B", &Arrhenius::B)
+      .def_readwrite("C", &Arrhenius::C)
+      .def_readwrite("D", &Arrhenius::D)
+      .def_readwrite("E", &Arrhenius::E)
+      .def_readwrite("reactants", &Arrhenius::reactants)
+      .def_readwrite("products", &Arrhenius::products)
+      .def_readwrite("name", &Arrhenius::name)
+      .def_readwrite("gas_phase", &Arrhenius::gas_phase)
+      .def_readwrite("other_properties", &Arrhenius::unknown_properties)
+      .def("__str__", [](const Arrhenius &a) { return a.name; })
+      .def("__repr__", [](const Arrhenius &a) { return "<Arrhenius: " + a.name + ">"; })
+      .def_property_readonly("type", [](const Arrhenius &) { return ReactionType::Arrhenius; });
+
+  py::class_<CondensedPhaseArrhenius>(mechanism_configuration, "_CondensedPhaseArrhenius")
+      .def(py::init<>())
+      .def_readwrite("A", &CondensedPhaseArrhenius::A)
+      .def_readwrite("B", &CondensedPhaseArrhenius::B)
+      .def_readwrite("C", &CondensedPhaseArrhenius::C)
+      .def_readwrite("D", &CondensedPhaseArrhenius::D)
+      .def_readwrite("E", &CondensedPhaseArrhenius::E)
+      .def_readwrite("reactants", &CondensedPhaseArrhenius::reactants)
+      .def_readwrite("products", &CondensedPhaseArrhenius::products)
+      .def_readwrite("name", &CondensedPhaseArrhenius::name)
+      .def_readwrite("condensed_phase", &CondensedPhaseArrhenius::condensed_phase)
+      .def_readwrite("other_properties", &CondensedPhaseArrhenius::unknown_properties)
+      .def("__str__", [](const CondensedPhaseArrhenius &cpa) { return cpa.name; })
+      .def("__repr__", [](const CondensedPhaseArrhenius &cpa) { return "<CondensedPhaseArrhenius: " + cpa.name + ">"; })
+      .def_property_readonly("type", [](const CondensedPhaseArrhenius &) { return ReactionType::CondensedPhaseArrhenius; });
+
+  py::class_<Troe>(mechanism_configuration, "_Troe")
+      .def(py::init<>())
+      .def_readwrite("k0_A", &Troe::k0_A)
+      .def_readwrite("k0_B", &Troe::k0_B)
+      .def_readwrite("k0_C", &Troe::k0_C)
+      .def_readwrite("kinf_A", &Troe::kinf_A)
+      .def_readwrite("kinf_B", &Troe::kinf_B)
+      .def_readwrite("kinf_C", &Troe::kinf_C)
+      .def_readwrite("Fc", &Troe::Fc)
+      .def_readwrite("N", &Troe::N)
+      .def_readwrite("reactants", &Troe::reactants)
+      .def_readwrite("products", &Troe::products)
+      .def_readwrite("name", &Troe::name)
+      .def_readwrite("gas_phase", &Troe::gas_phase)
+      .def_readwrite("other_properties", &Troe::unknown_properties)
+      .def("__str__", [](const Troe &t) { return t.name; })
+      .def("__repr__", [](const Troe &t) { return "<Troe: " + t.name + ">"; })
+      .def_property_readonly("type", [](const Troe &) { return ReactionType::Troe; });
+
+  py::class_<TernaryChemicalActivation>(mechanism_configuration, "_TernaryChemicalActivation")
+      .def(py::init<>())
+      .def_readwrite("k0_A", &TernaryChemicalActivation::k0_A)
+      .def_readwrite("k0_B", &TernaryChemicalActivation::k0_B)
+      .def_readwrite("k0_C", &TernaryChemicalActivation::k0_C)
+      .def_readwrite("kinf_A", &TernaryChemicalActivation::kinf_A)
+      .def_readwrite("kinf_B", &TernaryChemicalActivation::kinf_B)
+      .def_readwrite("kinf_C", &TernaryChemicalActivation::kinf_C)
+      .def_readwrite("Fc", &TernaryChemicalActivation::Fc)
+      .def_readwrite("N", &TernaryChemicalActivation::N)
+      .def_readwrite("reactants", &TernaryChemicalActivation::reactants)
+      .def_readwrite("products", &TernaryChemicalActivation::products)
+      .def_readwrite("name", &TernaryChemicalActivation::name)
+      .def_readwrite("gas_phase", &TernaryChemicalActivation::gas_phase)
+      .def_readwrite("other_properties", &TernaryChemicalActivation::unknown_properties)
+      .def("__str__", [](const TernaryChemicalActivation &t) { return t.name; })
+      .def("__repr__", [](const TernaryChemicalActivation &t) { return "<TernaryChemicalActivation: " + t.name + ">"; })
+      .def_property_readonly(
+          "type", [](const TernaryChemicalActivation &) { return ReactionType::TernaryChemicalActivation; });
+
+  py::class_<Branched>(mechanism_configuration, "_Branched")
+      .def(py::init<>())
+      .def_readwrite("X", &Branched::X)
+      .def_readwrite("Y", &Branched::Y)
+      .def_readwrite("a0", &Branched::a0)
+      .def_readwrite("n", &Branched::n)
+      .def_readwrite("reactants", &Branched::reactants)
+      .def_readwrite("nitrate_products", &Branched::nitrate_products)
+      .def_readwrite("alkoxy_products", &Branched::alkoxy_products)
+      .def_readwrite("name", &Branched::name)
+      .def_readwrite("gas_phase", &Branched::gas_phase)
+      .def_readwrite("other_properties", &Branched::unknown_properties)
+      .def("__str__", [](const Branched &b) { return b.name; })
+      .def("__repr__", [](const Branched &b) { return "<Branched: " + b.name + ">"; })
+      .def_property_readonly("type", [](const Branched &) { return ReactionType::Branched; });
+
+  py::class_<Tunneling>(mechanism_configuration, "_Tunneling")
+      .def(py::init<>())
+      .def_readwrite("A", &Tunneling::A)
+      .def_readwrite("B", &Tunneling::B)
+      .def_readwrite("C", &Tunneling::C)
+      .def_readwrite("reactants", &Tunneling::reactants)
+      .def_readwrite("products", &Tunneling::products)
+      .def_readwrite("name", &Tunneling::name)
+      .def_readwrite("gas_phase", &Tunneling::gas_phase)
+      .def_readwrite("other_properties", &Tunneling::unknown_properties)
+      .def("__str__", [](const Tunneling &t) { return t.name; })
+      .def("__repr__", [](const Tunneling &t) { return "<Tunneling: " + t.name + ">"; })
+      .def_property_readonly("type", [](const Tunneling &) { return ReactionType::Tunneling; });
+
+  py::class_<Surface>(mechanism_configuration, "_Surface")
+      .def(py::init<>())
+      .def_readwrite("reaction_probability", &Surface::reaction_probability)
+      .def_readwrite("gas_phase_species", &Surface::gas_phase_species)
+      .def_readwrite("gas_phase_products", &Surface::gas_phase_products)
+      .def_readwrite("name", &Surface::name)
+      .def_readwrite("gas_phase", &Surface::gas_phase)
+      .def_readwrite("condensed_phase", &Surface::condensed_phase)
+      .def_readwrite("other_properties", &Surface::unknown_properties)
+      .def("__str__", [](const Surface &s) { return s.name; })
+      .def("__repr__", [](const Surface &s) { return "<Surface: " + s.name + ">"; })
+      .def_property_readonly("type", [](const Surface &) { return ReactionType::Surface; });
+
+  py::class_<Photolysis>(mechanism_configuration, "_Photolysis")
+      .def(py::init<>())
+      .def_readwrite("scaling_factor", &Photolysis::scaling_factor)
+      .def_readwrite("reactants", &Photolysis::reactants)
+      .def_readwrite("products", &Photolysis::products)
+      .def_readwrite("name", &Photolysis::name)
+      .def_readwrite("gas_phase", &Photolysis::gas_phase)
+      .def_readwrite("other_properties", &Photolysis::unknown_properties)
+      .def("__str__", [](const Photolysis &p) { return p.name; })
+      .def("__repr__", [](const Photolysis &p) { return "<Photolysis: " + p.name + ">"; })
+      .def_property_readonly("type", [](const Photolysis &) { return ReactionType::Photolysis; });
+
+  py::class_<CondensedPhasePhotolysis>(mechanism_configuration, "_CondensedPhasePhotolysis")
+      .def(py::init<>())
+      .def_readwrite("scaling_factor", &CondensedPhasePhotolysis::scaling_factor)
+      .def_readwrite("reactants", &CondensedPhasePhotolysis::reactants)
+      .def_readwrite("products", &CondensedPhasePhotolysis::products)
+      .def_readwrite("name", &CondensedPhasePhotolysis::name)
+      .def_readwrite("condensed_phase", &CondensedPhasePhotolysis::condensed_phase)
+      .def_readwrite("other_properties", &CondensedPhasePhotolysis::unknown_properties)
+      .def("__str__", [](const CondensedPhasePhotolysis &cpp) { return cpp.name; })
+      .def("__repr__", [](const CondensedPhasePhotolysis &cpp) { return "<CondensedPhasePhotolysis: " + cpp.name + ">"; })
+      .def_property_readonly(
+          "type", [](const CondensedPhasePhotolysis &) { return ReactionType::CondensedPhasePhotolysis; });
+
+  py::class_<Emission>(mechanism_configuration, "_Emission")
+      .def(py::init<>())
+      .def_readwrite("scaling_factor", &Emission::scaling_factor)
+      .def_readwrite("products", &Emission::products)
+      .def_readwrite("name", &Emission::name)
+      .def_readwrite("gas_phase", &Emission::gas_phase)
+      .def_readwrite("other_properties", &Emission::unknown_properties)
+      .def("__str__", [](const Emission &e) { return e.name; })
+      .def("__repr__", [](const Emission &e) { return "<Emission: " + e.name + ">"; })
+      .def_property_readonly("type", [](const Emission &) { return ReactionType::Emission; });
+
+  py::class_<FirstOrderLoss>(mechanism_configuration, "_FirstOrderLoss")
+      .def(py::init<>())
+      .def_readwrite("scaling_factor", &FirstOrderLoss::scaling_factor)
+      .def_readwrite("reactants", &FirstOrderLoss::reactants)
+      .def_readwrite("name", &FirstOrderLoss::name)
+      .def_readwrite("gas_phase", &FirstOrderLoss::gas_phase)
+      .def_readwrite("other_properties", &FirstOrderLoss::unknown_properties)
+      .def("__str__", [](const FirstOrderLoss &fol) { return fol.name; })
+      .def("__repr__", [](const FirstOrderLoss &fol) { return "<FirstOrderLoss: " + fol.name + ">"; })
+      .def_property_readonly("type", [](const FirstOrderLoss &) { return ReactionType::FirstOrderLoss; });
+
+  py::class_<AqueousEquilibrium>(mechanism_configuration, "_AqueousEquilibrium")
+      .def(py::init<>())
+      .def_readwrite("name", &AqueousEquilibrium::name)
+      .def_readwrite("condensed_phase", &AqueousEquilibrium::condensed_phase)
+      .def_readwrite("condensed_phase_water", &AqueousEquilibrium::condensed_phase_water)
+      .def_readwrite("reactants", &AqueousEquilibrium::reactants)
+      .def_readwrite("products", &AqueousEquilibrium::products)
+      .def_readwrite("A", &AqueousEquilibrium::A)
+      .def_readwrite("C", &AqueousEquilibrium::C)
+      .def_readwrite("k_reverse", &AqueousEquilibrium::k_reverse)
+      .def_readwrite("other_properties", &AqueousEquilibrium::unknown_properties)
+      .def("__str__", [](const AqueousEquilibrium &ae) { return ae.name; })
+      .def("__repr__", [](const AqueousEquilibrium &ae) { return "<AqueousEquilibrium: " + ae.name + ">"; })
+      .def_property_readonly("type", [](const AqueousEquilibrium &) { return ReactionType::AqueousEquilibrium; });
+
+  py::class_<WetDeposition>(mechanism_configuration, "_WetDeposition")
+      .def(py::init<>())
+      .def_readwrite("scaling_factor", &WetDeposition::scaling_factor)
+      .def_readwrite("name", &WetDeposition::name)
+      .def_readwrite("condensed_phase", &WetDeposition::condensed_phase)
+      .def_readwrite("other_properties", &WetDeposition::unknown_properties)
+      .def("__str__", [](const WetDeposition &wd) { return wd.name; })
+      .def("__repr__", [](const WetDeposition &wd) { return "<WetDeposition: " + wd.name + ">"; })
+      .def_property_readonly("type", [](const WetDeposition &) { return ReactionType::WetDeposition; });
+
+  py::class_<HenrysLaw>(mechanism_configuration, "_HenrysLaw")
+      .def(py::init<>())
+      .def_readwrite("name", &HenrysLaw::name)
+      .def_readwrite("other_properties", &HenrysLaw::unknown_properties)
+      .def("__str__", [](const HenrysLaw &hl) { return hl.name; })
+      .def("__repr__", [](const HenrysLaw &hl) { return "<HenrysLaw: " + hl.name + ">"; })
+      .def_property_readonly("type", [](const HenrysLaw &) { return ReactionType::HenrysLaw; });
+
+  py::class_<SimpolPhaseTransfer>(mechanism_configuration, "_SimpolPhaseTransfer")
+      .def(py::init<>())
+      .def_readwrite("gas_phase", &SimpolPhaseTransfer::gas_phase)
+      .def_readwrite("gas_phase_species", &SimpolPhaseTransfer::gas_phase_species)
+      .def_readwrite("condensed_phase", &SimpolPhaseTransfer::condensed_phase)
+      .def_readwrite("condensed_phase_species", &SimpolPhaseTransfer::condensed_phase_species)
+      .def_readwrite("name", &SimpolPhaseTransfer::name)
+      .def_readwrite("B", &SimpolPhaseTransfer::B)
+      .def_readwrite("other_properties", &SimpolPhaseTransfer::unknown_properties)
+      .def("__str__", [](const SimpolPhaseTransfer &spt) { return spt.name; })
+      .def("__repr__", [](const SimpolPhaseTransfer &spt) { return "<SimpolPhaseTransfer: " + spt.name + ">"; })
+      .def_property_readonly("type", [](const SimpolPhaseTransfer &) { return ReactionType::SimpolPhaseTransfer; });
+
+  py::class_<UserDefined>(mechanism_configuration, "_UserDefined")
+      .def(py::init<>())
+      .def_readwrite("scaling_factor", &UserDefined::scaling_factor)
+      .def_readwrite("reactants", &UserDefined::reactants)
+      .def_readwrite("products", &UserDefined::products)
+      .def_readwrite("name", &UserDefined::name)
+      .def_readwrite("gas_phase", &UserDefined::gas_phase)
+      .def_readwrite("other_properties", &UserDefined::unknown_properties)
+      .def("__str__", [](const UserDefined &p) { return p.name; })
+      .def("__repr__", [](const UserDefined &p) { return "<UserDefined: " + p.name + ">"; })
+      .def_property_readonly("type", [](const UserDefined &) { return ReactionType::UserDefined; });
+
+  py::class_<Reactions>(mechanism_configuration, "_Reactions")
+      .def(py::init<>())
+      .def(py::init([](const py::list &reactions) { return create_reactions(reactions); }))
+      .def_readwrite("arrhenius", &Reactions::arrhenius)
+      .def_readwrite("branched", &Reactions::branched)
+      .def_readwrite("condensed_phase_arrhenius", &Reactions::condensed_phase_arrhenius)
+      .def_readwrite("condensed_phase_photolysis", &Reactions::condensed_phase_photolysis)
+      .def_readwrite("emission", &Reactions::emission)
+      .def_readwrite("first_order_loss", &Reactions::first_order_loss)
+      .def_readwrite("simpol_phase_transfer", &Reactions::simpol_phase_transfer)
+      .def_readwrite("aqueous_equilibrium", &Reactions::aqueous_equilibrium)
+      .def_readwrite("wet_deposition", &Reactions::wet_deposition)
+      .def_readwrite("henrys_law", &Reactions::henrys_law)
+      .def_readwrite("photolysis", &Reactions::photolysis)
+      .def_readwrite("surface", &Reactions::surface)
+      .def_readwrite("troe", &Reactions::troe)
+      .def_readwrite("ternary_chemical_activation", &Reactions::ternary_chemical_activation)
+      .def_readwrite("tunneling", &Reactions::tunneling)
+      .def_readwrite("user_defined", &Reactions::user_defined)
+      .def(
+          "__len__",
+          [](const Reactions &r)
+          {
+            return r.arrhenius.size() + r.branched.size() + r.condensed_phase_arrhenius.size() +
+                   r.condensed_phase_photolysis.size() + r.emission.size() + r.first_order_loss.size() +
+                   r.simpol_phase_transfer.size() + r.aqueous_equilibrium.size() + r.wet_deposition.size() +
+                   r.henrys_law.size() + r.photolysis.size() + r.surface.size() + r.troe.size() + r.tunneling.size() +
+                   r.user_defined.size();
+          })
+      .def("__str__", [](const Reactions &r) { return "Reactions"; })
+      .def("__repr__", [](const Reactions &r) { return "<Reactions>"; })
+      .def("__iter__", [](Reactions &r) { return ReactionsIterator(r); });
+
+  py::class_<ReactionsIterator>(mechanism_configuration, "_ReactionsIterator")
+      .def("__iter__", [](ReactionsIterator &it) -> ReactionsIterator & { return it; })
+      .def("__next__", &ReactionsIterator::next);
+
+  py::class_<Mechanism>(mechanism_configuration, "_Mechanism")
+      .def(py::init<>())
+      .def_readwrite("name", &Mechanism::name)
+      .def_readwrite("species", &Mechanism::species)
+      .def_readwrite("phases", &Mechanism::phases)
+      .def_readwrite("reactions", &Mechanism::reactions)
+      .def_readwrite("version", &Mechanism::version)
+      .def("__str__", [](const Mechanism &m) { return m.name; })
+      .def("__repr__", [](const Mechanism &m) { return "<Mechanism: " + m.name + ">"; });
+
+  py::class_<mechanism_configuration::Version>(mechanism_configuration, "_Version")
+      .def(py::init<>())
+      .def(py::init<unsigned int, unsigned int, unsigned int>())
+      .def(py::init<std::string>())
+      .def_readwrite("major", &mechanism_configuration::Version::major)
+      .def_readwrite("minor", &mechanism_configuration::Version::minor)
+      .def_readwrite("patch", &mechanism_configuration::Version::patch)
+      .def("to_string", &mechanism_configuration::Version::to_string)
+      .def("__str__", &mechanism_configuration::Version::to_string)
+      .def("__repr__", [](const mechanism_configuration::Version &v) { return "<Version: " + v.to_string() + ">"; });
+
+  using V1Parser = mechanism_configuration::v1::Parser;
+
+  py::class_<V1Parser>(mechanism_configuration, "_Parser")
+      .def(py::init<>())
+      .def(
+          "parse",
+          [](V1Parser &self, const std::string &path)
+          {
+            auto parsed = self.Parse(std::filesystem::path(path));
+            if (parsed)
+            {
+              return *parsed;
+            }
+            else
+            {
+              std::string error = "Error parsing file: " + path + "\n";
+              for (auto &e : parsed.errors)
+              {
+                error += e.second + "\n";
+              }
+              throw std::runtime_error(error);
+            }
+          })
+      .def(
+          "parse_and_convert_v0",
+          [](V1Parser &self, const std::string &path)
+          {
+            mechanism_configuration::v1::types::Mechanism mechanism = musica::ConvertV0MechanismToV1(path);
+            return mechanism;
+          },
+          "Parse a v0 mechanism configuration file");
+}