mf6rtm.config package

Submodules

mf6rtm.config.config module

Configuration schema and (de)serialization for mf6rtm runs.

Defines MF6RTMConfig, the container for reactive-transport run settings, with helpers to load from and save to TOML and dictionary form.

class mf6rtm.config.config.ConfigSchema(group, toml_name=None)

Bases: object

Schema definition for configuration grouping.

group: str

toml_name: str | None = None

class mf6rtm.config.config.MF6RTMConfig(**kwargs)

Bases: object

MF6RTM Configuration class similar to FloPy package structure. This class provides a FloPy-style interface for configuring MF6RTM reaction timing parameters.

Parameters:

• reaction_timing (str, optional) – Controls when reactions are calculated. Options: - ‘all’ : Calculate reactions at all time steps (default) - ‘user’ : Calculate reactions only at user-specified time steps - ‘adaptive’ : Use adaptive timing based on convergence criteria

• tsteps (List[Tuple[int, int]], optional) – List of (kper, kstp) tuples specifying when reactions should be calculated. Only used when reaction_timing=’user’. Default is empty list. kper is stress period (1-based), kstp is time step (1-based).

reaction_timing

Current reaction timing strategy.

Type:

str

tsteps

List of time steps for reaction calculations.

Type:

List[Tuple[int, int]]

add_new_configuration(**kwargs)

Add new configuration parameters dynamically.

Parameters:

**kwargs – Configuration parameters to set as attributes on the instance.

classmethod from_dict(config_dict)

Build a configuration from a nested dictionary.

Parameters:

config_dict (Dict[str, Any]) – Nested configuration mapping. The reactive and emulator sections are handled explicitly; remaining sections are flattened.

Return type:

MF6RTMConfig

classmethod from_toml_file(filepath)

Load configuration from TOML file.

Parameters:

filepath (str) – Path to TOML configuration file.

Returns:

New configuration instance loaded from file.

Return type:

MF6RTMConfig

get_tsteps_for_period(kper)

Get time steps for a specific stress period.

Parameters:

kper (int) – Stress period number (1-based).

Returns:

List of time step numbers for the given stress period.

Return type:

List[int]

Examples

>>> config = MF6RTMConfig(reactive_timing='user',
...                       reactive_tsteps=[(1, 1), (1, 10), (2, 5)])
>>> config.get_tsteps_for_period(1)
[1, 10]

is_reaction_tstep(kper, kstp)

Check if reactions should be calculated at a specific time step.

Parameters:

• kper (int) – Stress period number (1-based).

• kstp (int) – Time step number (1-based).

Returns:

True if reactions should be calculated at this time step.

Return type:

bool

Examples

>>> config = MF6RTMConfig(reaction_timing='user', tsteps=[(1, 1)])
>>> config.is_reaction_tstep(1, 1)
True
>>> config.is_reaction_tstep(1, 2)
False

save_to_file(filepath)

Save configuration to TOML file.

Parameters:

filepath (str) – Path where TOML file should be saved.

to_dict()

Convert the configuration to a nested dictionary for TOML output.

Returns:

Nested mapping with category groups (reactive, emulator), phase sections, and remaining keys, ordered for TOML serialization.

Return type:

Dict[str, Any]

mf6rtm.config.yaml_reader module

Helpers to reconstruct a YAMLPhreeqcRM instance from a YAML file.

mf6rtm.config.yaml_reader.load_yaml_to_phreeqcrm(yaml_file_path)

Load a YAML file and reconstruct a YAMLPhreeqcRM instance.

Parameters:

yaml_file_path (str) – Path to the YAML file.

Returns:

Reconstructed instance.

Return type:

YAMLPhreeqcRM