uclchem.makerates.network_compat#

Compatibility layer for old Network and LoadedNetwork APIs.

This module provides backward compatibility wrappers for the old Network and LoadedNetwork classes. It’s kept separate and NOT imported by default to allow for a clean breaking change in v4.0.

When ready to deprecate, this can be imported in __init__.py to provide warnings and migration paths.

Module Contents#

Classes#

`LoadedNetwork`	Backward compatible LoadedNetwork class.
`NetworkState`	Backward compatible NetworkState class.

Functions#

Network(→ uclchem.makerates.network.Network)

Backward compatible Network constructor.

class uclchem.makerates.network_compat.LoadedNetwork[source]#

Backward compatible LoadedNetwork class.

This class provides compatibility with the old LoadedNetwork API. It redirects to appropriate Network factory methods.

Deprecated:: Use Network.from_csv(), Network.from_lists(), or the module-level factory functions instead.

Create a network using old LoadedNetwork API.

Parameters:

cls (Any) – Not used
species (list[Species] | None) – List of Species objects (use with reactions). Default = None.
reactions (list[Reaction] | None) – List of Reaction objects (use with species). Default = None.
species_filepath (str | Path | None) – Path to species CSV (use with reactions_filepath). Default = None.
reactions_filepath (str | Path | None) – Path to reactions CSV (use with species_filepath). Default = None.

Returns:

Network instance created via appropriate factory method

Return type:

NewNetwork

Raises:

ValueError – If both species and reactions and file paths are specified, or if only species or reactions is provided.

Examples

>>> # Build with validation
>>> from uclchem.makerates.io_functions import read_species_file, read_reaction_file
>>> from uclchem.utils import UCLCHEM_ROOT_DIR
>>>
>>> species_path = UCLCHEM_ROOT_DIR / "species.csv"
>>> reactions_path = UCLCHEM_ROOT_DIR / "reactions.csv"

>>> species_list, user_defined_bulk = read_species_file(species_path)
>>> reactions_list, dropped_reactions = read_reaction_file(
...     reactions_path, species_list, "UCL"
... )

>>> # Old style (deprecated)
>>> network = LoadedNetwork()
>>> network = LoadedNetwork(
...     species_filepath=species_path,
...     reactions_filepath=reactions_path
... )
>>> network = LoadedNetwork(species=species_list, reactions=reactions_list)

>>> # New style (recommended)
>>> from uclchem.makerates.network import Network
>>> network = Network.from_csv()
>>> network = Network.from_csv(species_path, reactions_path)
>>> network = Network.from_lists(species_list, reactions_list)
>>> # or use module-level functions
>>> from uclchem.makerates.network import load_network_from_csv, create_network
>>> network = load_network_from_csv()
>>> network = create_network(species_list, reactions_list)

class uclchem.makerates.network_compat.NetworkState[source]#

Backward compatible NetworkState class.

This class provides compatibility with the old NetworkState API from uclchem.advanced. It redirects to ``RuntimeNetwork()`.

Deprecated:: Use RuntimeNetwork() instead.

Create a network with Fortran interface using old NetworkState API.

Parameters:: cls (Any) – Not used
Returns:: Network instance with Fortran interface
Return type:: Network

Examples

>>> # Old style (deprecated)
>>> from uclchem.advanced import NetworkState
>>> network = NetworkState()
>>> network._network.alpha[0] = 999.0

>>> # New style (recommended)
>>> from uclchem.advanced.runtime_network import RuntimeNetwork
>>>
>>> network = RuntimeNetwork()
>>> network.modify_reaction_parameters(0, alpha=999.0)
>>> # or for direct access
>>> network._fortran.alpha[0] = 999.0
>>>

uclchem.makerates.network_compat.Network(species: list[uclchem.makerates.species.Species] | None = None, reactions: list[uclchem.makerates.reaction.Reaction] | None = None, **kwargs: Any) → uclchem.makerates.network.Network[source]#

Backward compatible Network constructor.

This function provides compatibility with the old Network class constructor. It redirects to the appropriate new factory method based on the arguments.

Deprecated:: Use Network.build() or build_network() instead for new code.

Parameters:

species (list[Species] | None) – List of Species objects. Default = None.
reactions (list[Reaction] | None) – List of Reaction objects. Default = None.
**kwargs (Any) – Build options (gas_phase_extrapolation, etc.)

Returns:

Network instance created via build_network()

Return type:

NewNetwork

Raises:

ValueError – If species or reactions is None.

Examples

>>> # Build with validation
>>> from uclchem.makerates.io_functions import read_species_file, read_reaction_file
>>> from uclchem.utils import UCLCHEM_ROOT_DIR
>>>
>>> species_list, user_defined_bulk = read_species_file(
...     UCLCHEM_ROOT_DIR / "../../Makerates/data/default/default_species.csv"
... )
>>> reactions_list, dropped_reactions = read_reaction_file(
...     UCLCHEM_ROOT_DIR / "../../Makerates/data/default/default_grain_network.csv",
...     species_list,
...     "UCL",
... )

>>> # Old style (deprecated)
>>> network = Network(species_list, reactions_list, gas_phase_extrapolation=True)

>>> # New style (recommended)
>>> from uclchem.makerates.network import Network, build_network
>>> network = Network.build(species_list, reactions_list, gas_phase_extrapolation=True)
>>> # or
>>> network = build_network(species_list, reactions_list, gas_phase_extrapolation=True)