Public API#

This page is a task-oriented map of the top-level aquakin API: it points you to the right entry points for each job. Every name listed here is importable as aquakin.<name>, and the API reference has the full signatures and docstrings for all of them.

Tip

The guide pages — Getting started, Reactors, Plant-wide simulation, and Sensitivity & calibration — walk through these APIs with worked examples. Start there; use this page and the API reference to look things up.

Everything not listed here (the AST node types, the compile context, the schema models, the raw Diffrax solver objects) is internal and should not be imported from aquakin directly. Reactors are stateless after construction — solve() takes every variable input as an argument — which is what lets you jax.vmap a reactor over an ensemble.

Loading and inspecting a model#

To…	Use
Load a shipped model by name	`load_model`
Load a model from a YAML file	`load_model_from_file`
Reset the model cache	`clear_model_cache`
Work with a loaded model	`CompiledModel` (its methods: `summary`, `species`, `default_concentrations`, `default_parameters`, `default_conditions`, `concentrations`, `influent`, `parameter_values`, `units_of`, `check_units`, `check_conservation`, …)

Conditions#

To…	Use
Set conditions for a single tank (0-D)	`OperatingConditions`
Set spatially varying conditions (PFR/CFD)	`SpatialConditions`

Reactors and solutions#

To…	Use
Integrate a well-mixed batch (0-D)	`BatchReactor`
Integrate a plug-flow profile (1-D)	`PlugFlowReactor`
Integrate along a Lagrangian particle track	`ParticleTrackReactor`, `Track`
Resolve a biofilm over depth (1-D)	`BiofilmReactor`
React inside a CFD operator split	`CFDReactor`
Handle pumps / dosing / phase switches	`Event`, `solve_with_events`

Solutions (BatchSolution, PFRSolution, TrackSolution, BiofilmSolution) share by-name accessors: C_named, C_named_many, final_named, final, to_dataframe, to_csv, plot.

Plant-wide simulation#

To…	Use
Assemble a flowsheet	`Plant`, and units `CSTRUnit`, `MixerUnit`, `RatioSplitter` / `SetpointSplitter` / `ThresholdSplitter`, `ChlorineContactUnit`, `UVUnit`, … (see the API reference for the full unit catalog)
Move water between units	`Stream`, `InfluentSeries`
Read a plant result	`PlantSolution`, `PlantCheck`
Select a temperature model	`AlgebraicTemperature`, `HeatBalanceTemperature`
Configure aeration	`Aeration`, `AerationSystem`
Translate state between models (ASM↔ADM)	`StateTranslator`, `IdentityTranslator`

Influent characterisation#

To…	Use
Split lab measurements into model states	`characterize_influent`, `fractionate`, `InfluentFractions`
Read a time series from CSV	`read_influent_csv`

Sensitivity analysis#

To…	Use
Gradient of an output w.r.t. parameters/conditions	`sensitivity` → `SensitivityResult`
Cap-free forward sensitivity through a stiff solve	`forward_sensitivity` → `ForwardSensitivityResult`
Global (Sobol-total-bound) sensitivity	`dgsm` → `DGSMResult`
Configure differentiation / integration	`DifferentiationConfig`, `IntegratorConfig`, `forward_adjoint`
Guard against silent non-finite gradients	`check_finite_gradient`

Calibration and identifiability#

To…	Use
Point-estimate fit	`fit` → `FitResult`
MAP fit + Laplace posterior	`calibrate` → `CalibrationResult` (→ `predictive_band` → `PredictiveBand`)
Profile-likelihood identifiability	`profile_likelihood` → `ProfileResult`
Configure the fit	`LaplaceConfig`, `OptimizerConfig`, `FreeICConfig`

Uncertainty propagation and design#

To…	Use
Propagate input uncertainty	`monte_carlo` → `MonteCarloResult`
Compare named scenarios	`compare_scenarios` → `ScenarioComparison`
Optimise a constrained design	`optimize_design`, `Constraint` → `OptimizeResult`
Run an ensemble of solves	`integrate_ensemble`

Model checks: units and conservation#

To…	Use
Dimensional consistency of rate expressions	`check_model_units`, `parse_units`
Mass / electron balance of stoichiometry	`check_conservation`, `check_nitrogen`, `mass_balance`
Composition tables	`composition_table`, `canonical_content`

Benchmark evaluation and reporting#

To…	Use
Score BSM1 / BSM2 performance	`evaluate_bsm1`, `evaluate_bsm2`
Effluent quality / operating-cost indices	`effluent_quality_index`, `operational_cost_index`, `operational_cost_index_bsm2`
Sludge and effluent statistics	`sludge_metrics`, `effluent_averages`, `time_average`
Greenhouse-gas footprint	`carbon_footprint`, `direct_n2o_emission`, `stripped_n2o`
Monetised operating cost	`operating_cost`, `CostFactors`
Compare KPIs across scenarios	`kpi_comparison`

Design and sizing#

To…	Use
Size an activated-sludge process	`size_activated_sludge`, `design_summary`
Aeration / blower energy	`aeration_energy`, `required_airflow`, `blower_energy`, `blower_power_kw`
Pumping / mixing / heating energy	`pumping_energy`, `mixing_energy`, `heating_energy`
Disinfection sizing	`uv_dose`, `uv_log_inactivation`, `ct_value`, `ct_log_removal`, `t10_from_rtd`

For the exact signatures, return types, and every remaining exported symbol, see the API reference.