MUSICA Python API

C++ Bindings

Core

Mechanism Configuration

Musica Types

class musica.types.Conditions(temperature: float | int | None = None, pressure: float | int | None = None, air_density: float | int | None = None)

Bases: _Conditions

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.

Parameters:

• temperature (float) – Temperature in Kelvin.

• pressure (float) – Pressure in Pascals.

• air_density (float) – Air density in mol m-3

class musica.types.MICM(config_path: str | PathLike[str] = None, mechanism: Mechanism = None, solver_type: _SolverType = None)

Bases: object

The MICM class is a wrapper around the C++ MICM solver. It provides methods to create a solver, create a state, and solve the system of equations.

Parameters:

• config_path (FilePath) – Path to the configuration file.

• mechanism (mechanism_configuration.Mechanism) – Mechanism object which specifies the chemical mechanism to use.

• solver_type (SolverType) – Type of solver to use.

• number_of_grid_cells (int) – Number of grid cells to use. The default is 1.

create_state(number_of_grid_cells: int = 1) → State

Create a new state object.

Returns:

A new state object.

Return type:

State

solve(state: State, time_step: float)

Solve the system of equations for the given state and time step.

Parameters:

• state (State) – State object containing the initial conditions.

• time_step (float) – Time step in seconds.

Returns:

Updated state object after solving the system of equations.

Return type:

State

solver_type() → SolverType

Get the type of solver used.

Returns:

The type of solver used.

Return type:

SolverType

class musica.types.SolverType

Bases: _SolverType

Enum class for the type of solver to use.

class musica.types.State(solver: _Solver, number_of_grid_cells: int, vector_size: int = 0)

Bases: object

State class for the MICM solver. It contains the initial conditions and species concentrations.

get_concentrations() → Dict[str, List[float]]

Get the concentrations of the species in the state.

Returns:

Dictionary of species names and their concentrations.

Return type:

Dict[str, List[float]]

get_conditions() → Dict[str, List[float]]

Get the conditions for the state.

Returns:

Dictionary of conditions names and their values.

Return type:

Dict[str, List[float]]

get_internal_states() → List[_State]

Get the internal states of the MICM solver.

Returns:

List of internal states.

Return type:

List[_State]

get_user_defined_rate_parameters() → Dict[str, List[float]]

Get the user-defined rate parameters in the state.

Returns:

Dictionary of user-defined rate parameter names and their values.

Return type:

Dict[str, List[float]]

set_concentrations(concentrations: Dict[str, float | int | List[float | int]])

Set the concentrations of the species in the state. Any species not in the dictionary will be set to zero. The concentrations can be a single value when solving for a single grid cell, or a list of values when solving for multiple grid cells.

Parameters:

concentrations (Dict[str, Union[Union[float, int], List[Union[float, int]]]]) – Dictionary of species names and their concentrations.

set_conditions(temperatures: float | int | List[float | int], pressures: float | int | List[float | int], air_densities: float | int | List[float | int] | None = None)

Set the conditions for the state. The individual conditions can be a single value when solving for a single grid cell, or a list of values when solving for multiple grid cells. If air density is not provided, it will be calculated from the Ideal Gas Law using the provided temperature and pressure.

Parameters:

• temperatures (Union[float, List[float]]) – Temperature in Kelvin.

• pressures (Union[float, List[float]]) – Pressure in Pascals.

• air_densities (Optional[Union[float, List[float]]]) – Air density in mol m-3. If not provided, it will be calculated from the Ideal Gas Law.

set_user_defined_rate_parameters(user_defined_rate_parameters: Dict[str, float | int | List[float | int]])

Set the user-defined rate parameters in the state. Any parameter not in the dictionary will be set to zero. The parameters can be a single value when solving for a single grid cell, or a list of values when solving for multiple grid cells.

Parameters:

user_defined_rate_parameters (Dict[str, Union[Union[float, int], List[Union[float, int]]]]) – Dictionary of user-defined rate parameter names and their values.

Mechanism Configuraiton