MUSICA Python API

C++ Bindings

Core

Wrapper classes for MICM

class musica._musica._micm.MICM

Bases: pybind11_object

_pybind11_conduit_v1_()

class musica._musica._micm.VectorConditions

Bases: pybind11_object

_pybind11_conduit_v1_()

append(self: musica._musica._micm.VectorConditions, x: micm::Conditions) → None

Add an item to the end of the list

clear(self: musica._musica._micm.VectorConditions) → None

Clear the contents

extend(*args, **kwargs)

Overloaded function.

1. extend(self: musica._musica._micm.VectorConditions, L: musica._musica._micm.VectorConditions) -> None

Extend the list by appending all the items in the given list

2. extend(self: musica._musica._micm.VectorConditions, L: collections.abc.Iterable) -> None

Extend the list by appending all the items in the given list

insert(self: musica._musica._micm.VectorConditions, i: SupportsInt, x: micm::Conditions) → None

Insert an item at a given position.

pop(*args, **kwargs)

Overloaded function.

1. pop(self: musica._musica._micm.VectorConditions) -> micm::Conditions

Remove and return the last item

2. pop(self: musica._musica._micm.VectorConditions, i: typing.SupportsInt) -> micm::Conditions

Remove and return the item at index i

class musica._musica._micm._Conditions(temperature: float | int | None = None, pressure: float | int | None = None, air_density: float | int | None = None)

Bases: pybind11_object

Conditions class for the MICM solver. If air density is not provided, it will be calculated from the Ideal Gas Law using the provided temperature and pressure.

temperature

Temperature in Kelvin.

Type:

float

pressure

Pressure in Pascals.

Type:

float

air_density

Air density in mol m-3

Type:

float

_pybind11_conduit_v1_()

property air_density

property pressure

property temperature

class musica._musica._micm._SolverResult

Bases: pybind11_object

_pybind11_conduit_v1_()

property state

property stats

class musica._musica._micm._SolverResultsStats

Bases: pybind11_object

_pybind11_conduit_v1_()

property accepted

property decompositions

property final_time

property function_calls

property jacobian_updates

property number_of_steps

property rejected

property solves

class musica._musica._micm._SolverState

Bases: pybind11_object

Members:

NotYetCalled

Running

Converged

ConvergenceExceededMaxSteps

StepSizeTooSmall

RepeatedlySingularMatrix

NaNDetected

InfDetected

AcceptingUnconvergedIntegration

AcceptingUnconvergedIntegration = <_SolverState.AcceptingUnconvergedIntegration: 8>

Converged = <_SolverState.Converged: 2>

ConvergenceExceededMaxSteps = <_SolverState.ConvergenceExceededMaxSteps: 3>

InfDetected = <_SolverState.InfDetected: 7>

NaNDetected = <_SolverState.NaNDetected: 6>

NotYetCalled = <_SolverState.NotYetCalled: 0>

RepeatedlySingularMatrix = <_SolverState.RepeatedlySingularMatrix: 5>

Running = <_SolverState.Running: 1>

StepSizeTooSmall = <_SolverState.StepSizeTooSmall: 4>

_pybind11_conduit_v1_()

_SolverState.name -> str

property value

class musica._musica._micm._State

Bases: pybind11_object

_pybind11_conduit_v1_()

concentration_strides(self: musica._musica._micm._State) → tuple[int, int]

property concentrations

native 1D list of concentrations, ordered by species and grid cell according to matrix type

property conditions

list of conditions structs for each grid cell

number_of_grid_cells(self: musica._musica._micm._State) → int

user_defined_rate_parameter_strides(self: musica._musica._micm._State) → tuple[int, int]

property user_defined_rate_parameters

native 1D list of user-defined rate parameters, ordered by parameter and grid cell according to matrix type

musica._musica._micm._create_solver(arg0: str, arg1: musica::MICMSolver) → musica._musica._micm.MICM

musica._musica._micm._create_solver_from_mechanism(arg0: mechanism_configuration::v1::types::Mechanism, arg1: musica::MICMSolver, arg2: bool) → musica._musica._micm.MICM

musica._musica._micm._create_state(arg0: musica._musica._micm.MICM, arg1: SupportsInt) → musica::State

musica._musica._micm._get_micm_version() → str

Get the version of MICM

musica._musica._micm._is_cuda_available(*args, **kwargs)

Overloaded function.

1. _is_cuda_available() -> bool

Check if CUDA is available

2. _is_cuda_available() -> bool

Check if CUDA is available

musica._musica._micm._micm_solve(arg0: musica._musica._micm.MICM, arg1: musica::State, arg2: SupportsFloat) → musica._musica._micm._SolverResult

Solve the chemistry system

musica._musica._micm._print_state(arg0: musica::State, arg1: SupportsFloat) → None

Print the state to stdout with the current time

musica._musica._micm._species_ordering(arg0: musica::State) → dict[str, int]

Return map of species names to their indices in the state concentrations vector

musica._musica._micm._user_defined_rate_parameters_ordering(arg0: musica::State) → dict[str, int]

Return map of reaction rate parameters to their indices in the state user-defined rate parameters vector

musica._musica._micm._vector_size(arg0: musica::MICMSolver) → int

Returns the vector dimension for vector-ordered solvers, 0 otherwise.

class musica._musica._micm._SolverType

Bases: pybind11_object

Members:

rosenbrock

rosenbrock_standard_order

backward_euler

backward_euler_standard_order

cuda_rosenbrock

_pybind11_conduit_v1_()

backward_euler = <_SolverType.backward_euler: 3>

backward_euler_standard_order = <_SolverType.backward_euler_standard_order: 4>

cuda_rosenbrock = <_SolverType.cuda_rosenbrock: 5>

_SolverType.name -> str

rosenbrock = <_SolverType.rosenbrock: 1>

rosenbrock_standard_order = <_SolverType.rosenbrock_standard_order: 2>

property value

Mechanism Configuration

Wrapper classes for Mechanism Configuration for the chemical system configuration schema

class musica._musica._mechanism_configuration._Arrhenius(name: str | None = None, A: float | None = None, B: float | None = None, C: float | None = None, Ea: float | None = None, D: float | None = None, E: float | None = None, reactants: List[_Species | Tuple[float, _Species]] | None = None, products: List[_Species | Tuple[float, _Species]] | None = None, gas_phase: _Phase | None = None, other_properties: Dict[str, Any] | None = None)

Bases: pybind11_object

A class representing an Arrhenius rate constant.

k = A * exp( C / T ) * ( T / D )^B * exp( 1 - E * P )

where:

k = rate constant A = pre-exponential factor [(mol m-3)^(n-1)s-1] B = temperature exponent [unitless] C = exponential term [K-1] D = reference temperature [K] E = pressure scaling term [Pa-1] T = temperature [K] P = pressure [Pa] n = number of reactants

name

The name of the Arrhenius rate constant.

Type:

str

A

Pre-exponential factor [(mol m-3)^(n-1)s-1] where n is the number of reactants.

Type:

float

B

Temperature exponent [unitless].

Type:

float

C

Exponential term [K-1].

Type:

float

D

Reference Temperature [K].

Type:

float

E

Pressure scaling term [Pa-1].

Type:

float

reactants

A list of reactants involved in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

products

A list of products formed in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

gas_phase

The gas phase in which the reaction occurs.

Type:

Phase

other_properties

A dictionary of other properties of the Arrhenius rate constant.

Type:

Dict[str, Any]

property A

property B

property C

property D

property E

_pybind11_conduit_v1_()

property gas_phase

property name

property other_properties

property products

property reactants

serialize() → Dict

Serialize the Arrhenius object to a dictionary using only Python-visible data.

Returns:

A dictionary representation of the Arrhenius object.

Return type:

Dict

property type

Get the reaction type.

class musica._musica._mechanism_configuration._Branched(name: str | None = None, X: float | None = None, Y: float | None = None, a0: float | None = None, n: float | None = None, reactants: List[_Species | Tuple[float, _Species]] | None = None, nitrate_products: List[_Species | Tuple[float, _Species]] | None = None, alkoxy_products: List[_Species | Tuple[float, _Species]] | None = None, gas_phase: _Phase | None = None, other_properties: Dict[str, Any] | None = None)

Bases: pybind11_object

A class representing a branched reaction rate constant.

name

The name of the branched reaction rate constant.

Type:

str

X

Pre-exponential branching factor [(mol m-3)^-(n-1)s-1].

Type:

float

Y

Exponential branching factor [K-1].

Type:

float

a0

Z parameter [unitless].

Type:

float

n

A parameter [unitless].

Type:

float

reactants

A list of reactants involved in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

nitrate_products

A list of products formed in the nitrate branch.

Type:

List[Union[Species, Tuple[float, Species]]]

alkoxy_products

A list of products formed in the alkoxy branch.

Type:

List[Union[Species, Tuple[float, Species]]]

gas_phase

The gas phase in which the reaction occurs.

Type:

Phase

other_properties

A dictionary of other properties of the branched reaction rate constant.

Type:

Dict[str, Any]

property X

property Y

_pybind11_conduit_v1_()

property a0

property alkoxy_products

property gas_phase

property n

property name

property nitrate_products

property other_properties

property reactants

serialize() → Dict

Serialize the Branched object to a dictionary using only Python-visible data.

Returns:

A dictionary representation of the Branched object.

Return type:

Dict

property type

Get the reaction type.

class musica._musica._mechanism_configuration._Emission(name: str | None = None, scaling_factor: float | None = None, products: List[_Species | Tuple[float, _Species]] | None = None, gas_phase: _Phase | None = None, other_properties: Dict[str, Any] | None = None)

Bases: pybind11_object

A class representing an emission reaction rate constant.

name

The name of the emission reaction rate constant.

Type:

str

scaling_factor

The scaling factor for the emission rate constant.

Type:

float

products

A list of products formed in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

gas_phase

The gas phase in which the reaction occurs.

Type:

Phase

other_properties

A dictionary of other properties of the emission reaction rate constant.

Type:

Dict[str, Any]

_pybind11_conduit_v1_()

property gas_phase

property name

property other_properties

property products

property scaling_factor

serialize() → Dict

property type

class musica._musica._mechanism_configuration._FirstOrderLoss(name: str | None = None, scaling_factor: float | None = None, reactants: List[_Species | Tuple[float, _Species]] | None = None, gas_phase: _Phase | None = None, other_properties: Dict[str, Any] | None = None)

Bases: pybind11_object

A class representing a first-order loss reaction rate constant.

name

The name of the first-order loss reaction rate constant.

Type:

str

scaling_factor

The scaling factor for the first-order loss rate constant.

Type:

float

reactants

A list of reactants involved in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

gas_phase

The gas phase in which the reaction occurs.

Type:

Phase

other_properties

A dictionary of other properties of the first-order loss reaction rate constant.

Type:

Dict[str, Any]

_pybind11_conduit_v1_()

property gas_phase

property name

property other_properties

property reactants

property scaling_factor

serialize() → Dict

Serialize the FirstOrderLoss object to a dictionary using only Python-visible data.

Returns:

A dictionary representation of the FirstOrderLoss object.

Return type:

Dict

property type

class musica._musica._mechanism_configuration._Mechanism(name: str | None = None, reactions: List[Any] | None = None, species: List[_Species] | None = None, phases: List[_Phase] | None = None, version: _Version | None = None)

Bases: pybind11_object

A class representing a chemical mechanism.

name

The name of the mechanism.

Type:

str

reactions

A list of reactions in the mechanism.

Type:

List[Reaction]

species

A list of species in the mechanism.

Type:

List[Species]

phases

A list of phases in the mechanism.

Type:

List[Phase]

version

The version of the mechanism.

Type:

Version

_pybind11_conduit_v1_()

export(file_path: str) → None

property name

property phases

property reactions

serialize() → Dict

property species

property version

class musica._musica._mechanism_configuration._Parser

Bases: pybind11_object

_pybind11_conduit_v1_()

parse(self: musica._musica._mechanism_configuration._Parser, arg0: str) → musica._musica._mechanism_configuration._Mechanism

parse_and_convert_v0(self: musica._musica._mechanism_configuration._Parser, arg0: str) → musica._musica._mechanism_configuration._Mechanism

Parse a v0 mechanism configuration file

class musica._musica._mechanism_configuration._Phase(name: str | None = None, species: List[_Species] | List[_PhaseSpecies] | None = None, other_properties: Dict[str, Any] | None = None)

Bases: pybind11_object

A class representing a phase in a chemical mechanism.

name

The name of the phase.

Type:

str

species

A list of species in the phase.

Type:

List[Species]

other_properties

A dictionary of other properties of the phase.

Type:

Dict[str, Any]

_pybind11_conduit_v1_()

property name

property other_properties

serialize()

property species

class musica._musica._mechanism_configuration._PhaseSpecies(name: str | None = None, diffusion_coefficient_m2_s: float | None = None, other_properties: Dict[str, Any] | None = None)

Bases: pybind11_object

Represents a chemical species within a specific phase of a mechanism, including phase-specific properties such as diffusion coefficients.

This class is distinct from a regular Species class in that it models properties relevant to the species’ behavior in a particular phase (e.g., gas, liquid, or solid), such as the diffusion coefficient.

name

The name of the species.

Type:

str

diffusion_coefficient_m2_s

Diffusion coefficient in the phase [m2 s-1].

Type:

float

other_properties

A dictionary of other phase-specific properties of the species.

Type:

Dict[str, Any]

_pybind11_conduit_v1_()

property diffusion_coefficient_m2_s

property name

property other_properties

serialize() → Dict

class musica._musica._mechanism_configuration._Photolysis(name: str | None = None, scaling_factor: float | None = None, reactants: List[_Species | Tuple[float, _Species]] | None = None, products: List[_Species | Tuple[float, _Species]] | None = None, gas_phase: _Phase | None = None, other_properties: Dict[str, Any] | None = None)

Bases: pybind11_object

A class representing a photolysis reaction rate constant.

name

The name of the photolysis reaction rate constant.

Type:

str

scaling_factor

The scaling factor for the photolysis rate constant.

Type:

float

reactants

A list of reactants involved in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

products

A list of products formed in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

gas_phase

The gas phase in which the reaction occurs.

Type:

Phase

other_properties

A dictionary of other properties of the photolysis reaction rate constant.

Type:

Dict[str, Any]

_pybind11_conduit_v1_()

property gas_phase

property name

property other_properties

property products

property reactants

property scaling_factor

serialize() → Dict

property type

class musica._musica._mechanism_configuration._ReactionComponent(name: str | None = None, coefficient: float | None = 1.0, other_properties: Dict[str, Any] | None = None)

Bases: pybind11_object

A class representing a reaction component in a chemical reaction.

A reaction component typically consists of a chemical species, its stoichiometric coefficient in the reaction, and any additional properties relevant to its role in the reaction.

species_name

The name of the chemical species involved in the reaction.

Type:

str

coefficient

The stoichiometric coefficient of the species in the reaction.

Type:

float

other_properties

A dictionary of other properties relevant to the reaction component.

Type:

Dict[str, Any]

_pybind11_conduit_v1_()

property coefficient

property other_properties

serialize() → Dict

property species_name

class musica._musica._mechanism_configuration._Reactions(reactions: List[Any] | None = None)

Bases: pybind11_object

A class representing a collection of reactions in a chemical mechanism.

reactions

A list of reactions in the mechanism.

Type:

List[Any]

_pybind11_conduit_v1_()

property arrhenius

property branched

property emission

property first_order_loss

property photolysis

property surface

property taylor_series

property ternary_chemical_activation

property troe

property tunneling

property user_defined

class musica._musica._mechanism_configuration._ReactionsIterator

Bases: pybind11_object

_pybind11_conduit_v1_()

class musica._musica._mechanism_configuration._Species(name: str | None = None, molecular_weight_kg_mol: float | None = None, constant_concentration_mol_m3: float | None = None, constant_mixing_ratio_mol_mol: float | None = None, is_third_body: bool | None = False, other_properties: Dict[str, Any] | None = None)

Bases: pybind11_object

A class representing a species in a chemical mechanism.

name

The name of the species.

Type:

str

molecular_weight_kg_mol

Molecular weight [kg mol-1]

Type:

float

constant_concentration_mol_m3

Constant concentration of the species (mol m-3)

Type:

float

constant_mixing_ratio_mol_mol

Constant mixing ratio of the species (mol mol-1)

Type:

float

is_third_body

Whether the species is a third body.

Type:

bool

other_properties

A dictionary of other properties of the species.

Type:

Dict[str, Any]

_pybind11_conduit_v1_()

property constant_concentration_mol_m3

property constant_mixing_ratio_mol_mol

property is_third_body

property molecular_weight_kg_mol

property name

property other_properties

serialize() → Dict

class musica._musica._mechanism_configuration._Surface(name: str | None = None, reaction_probability: float | None = None, gas_phase_species: _Species | Tuple[float, _Species] | None = None, gas_phase_products: List[_Species | Tuple[float, _Species]] | None = None, gas_phase: _Phase | None = None, other_properties: Dict[str, Any] | None = None)

Bases: pybind11_object

A class representing a surface in a chemical mechanism.

name

The name of the surface.

Type:

str

reaction_probability

The probability of a reaction occurring on the surface.

Type:

float

gas_phase_species

The gas phase species involved in the reaction.

Type:

Union[Species, Tuple[float, Species]]

gas_phase_products

The gas phase products formed in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

gas_phase

The gas phase in which the reaction occurs.

Type:

Phase

other_properties

A dictionary of other properties of the surface.

Type:

Dict[str, Any]

_pybind11_conduit_v1_()

property gas_phase

property gas_phase_products

property gas_phase_species

property name

property other_properties

property reaction_probability

serialize() → Dict

property type

class musica._musica._mechanism_configuration._TaylorSeries(name: str | None = None, gas_phase: _Phase | None = None, A: float | None = None, B: float | None = None, C: float | None = None, D: float | None = None, E: float | None = None, taylor_coefficients: List[float] | None = None, reactants: List[_Species | Tuple[float, _Species]] | None = None, products: List[_Species | Tuple[float, _Species]] | None = None, other_properties: Dict[str, Any] | None = None)

Bases: pybind11_object

A class representing a Taylor series rate constant.

The rate constant k is represented as a Taylor series expansion in temperature (and optionally other variables):

k = a0 + a1*T + a2*T^2 + a3*T^3 + … + an*T^n

where:

k = rate constant T = temperature [K] a0, a1, …, an = Taylor series coefficients

Optionally, additional parameters (A, B, C, D, E) may be provided for compatibility or extended forms.

name

The name of the Taylor series rate constant.

Type:

str

taylor_coefficients

Coefficients [a0, a1, …, an] for the Taylor series expansion.

Type:

List[float]

A

Optional parameter for extended forms.

Type:

float, optional

B

Optional parameter for extended forms.

Type:

float, optional

C

Optional parameter for extended forms.

Type:

float, optional

D

Optional parameter for extended forms.

Type:

float, optional

E

Optional parameter for extended forms.

Type:

float, optional

reactants

A list of reactants involved in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

products

A list of products formed in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

gas_phase

The gas phase in which the reaction occurs.

Type:

Phase

other_properties

A dictionary of other properties of the Taylor series rate constant.

Type:

Dict[str, Any]

property A

property B

property C

property D

property E

_pybind11_conduit_v1_()

property gas_phase

property name

property other_properties

property products

property reactants

serialize() → Dict

property taylor_coefficients

property type

class musica._musica._mechanism_configuration._TernaryChemicalActivation(name: str | None = None, k0_A: float | None = None, k0_B: float | None = None, k0_C: float | None = None, kinf_A: float | None = None, kinf_B: float | None = None, kinf_C: float | None = None, Fc: float | None = None, N: float | None = None, reactants: List[_Species | Tuple[float, _Species]] | None = None, products: List[_Species | Tuple[float, _Species]] | None = None, gas_phase: _Phase | None = None, other_properties: Dict[str, Any] | None = None)

Bases: pybind11_object

A class representing a Ternary Chemical Activation rate constant.

name

The name of the Ternary Chemical Activation rate constant.

Type:

str

k0_A

Pre-exponential factor for the low-pressure limit [(mol m-3)^(n-1)s-1].

Type:

float

k0_B

Temperature exponent for the low-pressure limit [unitless].

Type:

float

k0_C

Exponential term for the low-pressure limit [K-1].

Type:

float

kinf_A

Pre-exponential factor for the high-pressure limit [(mol m-3)^(n-1)s-1].

Type:

float

kinf_B

Temperature exponent for the high-pressure limit [unitless].

Type:

float

kinf_C

Exponential term for the high-pressure limit [K-1].

Type:

float

Fc

Ternary Chemical Activation parameter [unitless].

Type:

float

N

Ternary Chemical Activation parameter [unitless].

Type:

float

reactants

A list of reactants involved in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

products

A list of products formed in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

gas_phase

The gas phase in which the reaction occurs.

Type:

Phase

other_properties

A dictionary of other properties of the Ternary Chemical Activation rate constant.

Type:

Dict[str, Any]

property Fc

property N

_pybind11_conduit_v1_()

property gas_phase

property k0_A

property k0_B

property k0_C

property kinf_A

property kinf_B

property kinf_C

property name

property other_properties

property products

property reactants

serialize() → Dict

Serialize the Ternary Chemical Activation object to a dictionary using only Python-visible data.

Returns:

A dictionary representation of the Ternary Chemical Activation object.

Return type:

Dict

property type

class musica._musica._mechanism_configuration._Troe(name: str | None = None, k0_A: float | None = None, k0_B: float | None = None, k0_C: float | None = None, kinf_A: float | None = None, kinf_B: float | None = None, kinf_C: float | None = None, Fc: float | None = None, N: float | None = None, reactants: List[_Species | Tuple[float, _Species]] | None = None, products: List[_Species | Tuple[float, _Species]] | None = None, gas_phase: _Phase | None = None, other_properties: Dict[str, Any] | None = None)

Bases: pybind11_object

A class representing a Troe rate constant.

name

The name of the Troe rate constant.

Type:

str

k0_A

Pre-exponential factor for the low-pressure limit [(mol m-3)^(n-1)s-1].

Type:

float

k0_B

Temperature exponent for the low-pressure limit [unitless].

Type:

float

k0_C

Exponential term for the low-pressure limit [K-1].

Type:

float

kinf_A

Pre-exponential factor for the high-pressure limit [(mol m-3)^(n-1)s-1].

Type:

float

kinf_B

Temperature exponent for the high-pressure limit [unitless].

Type:

float

kinf_C

Exponential term for the high-pressure limit [K-1].

Type:

float

Fc

Troe parameter [unitless].

Type:

float

N

Troe parameter [unitless].

Type:

float

reactants

A list of reactants involved in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

products

A list of products formed in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

gas_phase

The gas phase in which the reaction occurs.

Type:

Phase

other_properties

A dictionary of other properties of the Troe rate constant.

Type:

Dict[str, Any]

property Fc

property N

_pybind11_conduit_v1_()

property gas_phase

property k0_A

property k0_B

property k0_C

property kinf_A

property kinf_B

property kinf_C

property name

property other_properties

property products

property reactants

serialize() → Dict

Serialize the Troe object to a dictionary using only Python-visible data.

Returns:

A dictionary representation of the Troe object.

Return type:

Dict

property type

class musica._musica._mechanism_configuration._Tunneling(name: str | None = None, A: float | None = None, B: float | None = None, C: float | None = None, reactants: List[_Species | Tuple[float, _Species]] | None = None, products: List[_Species | Tuple[float, _Species]] | None = None, gas_phase: _Phase | None = None, other_properties: Dict[str, Any] | None = None)

Bases: pybind11_object

A class representing a quantum tunneling reaction rate constant.

k = A * exp( -B / T ) * exp( C / T^3 )

where:

k = rate constant A = pre-exponential factor [(mol m-3)^(n-1)s-1] B = tunneling parameter [K^-1] C = tunneling parameter [K^-3] T = temperature [K] n = number of reactants

name

The name of the tunneling reaction rate constant.

Type:

str

A

Pre-exponential factor [(mol m-3)^(n-1)s-1].

Type:

float

B

Tunneling parameter [K^-1].

Type:

float

C

Tunneling parameter [K^-3].

Type:

float

reactants

A list of reactants involved in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

products

A list of products formed in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

gas_phase

The gas phase in which the reaction occurs.

Type:

Phase

other_properties

A dictionary of other properties of the tunneling reaction rate constant.

Type:

Dict[str, Any]

property A

property B

property C

_pybind11_conduit_v1_()

property gas_phase

property name

property other_properties

property products

property reactants

serialize() → Dict

Serialize the Tunneling object to a dictionary using only Python-visible data.

Returns:

A dictionary representation of the Tunneling object.

Return type:

Dict

property type

class musica._musica._mechanism_configuration._UserDefined(name: str | None = None, scaling_factor: float | None = None, reactants: List[_Species | Tuple[float, _Species]] | None = None, products: List[_Species | Tuple[float, _Species]] | None = None, gas_phase: _Phase | None = None, other_properties: Dict[str, Any] | None = None)

Bases: pybind11_object

A class representing a user-defined reaction rate constant.

name

The name of the photolysis reaction rate constant.

Type:

str

scaling_factor

The scaling factor for the photolysis rate constant.

Type:

float

reactants

A list of reactants involved in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

products

A list of products formed in the reaction.

Type:

List[Union[Species, Tuple[float, Species]]]

gas_phase

The gas phase in which the reaction occurs.

Type:

Phase

other_properties

A dictionary of other properties of the photolysis reaction rate constant.

Type:

Dict[str, Any]

_pybind11_conduit_v1_()

property gas_phase

property name

property other_properties

property products

property reactants

property scaling_factor

serialize() → Dict

property type

class musica._musica._mechanism_configuration._Version

Bases: pybind11_object

_pybind11_conduit_v1_()

property major

property minor

property patch

to_string(self: musica._musica._mechanism_configuration._Version) → str

class musica._musica._mechanism_configuration._ReactionType

Bases: pybind11_object

Members:

Arrhenius

Branched

Emission

FirstOrderLoss

Photolysis

Surface

TaylorSeries

TernaryChemicalActivation

Troe

Tunneling

UserDefined

Arrhenius = <_ReactionType.Arrhenius: 0>

Branched = <_ReactionType.Branched: 1>

Emission = <_ReactionType.Emission: 2>

FirstOrderLoss = <_ReactionType.FirstOrderLoss: 3>

Photolysis = <_ReactionType.Photolysis: 4>

Surface = <_ReactionType.Surface: 5>

TaylorSeries = <_ReactionType.TaylorSeries: 6>

TernaryChemicalActivation = <_ReactionType.TernaryChemicalActivation: 7>

Troe = <_ReactionType.Troe: 8>

Tunneling = <_ReactionType.Tunneling: 9>

UserDefined = <_ReactionType.UserDefined: 10>

_pybind11_conduit_v1_()

_ReactionType.name -> str

property value

Musica Types

TUVX

CARMA