Validation

This page summarizes what the repository currently validates against Cantera.

What is covered

The automated tests cover:

  • scalar thermodynamic properties

  • basis-aware aliases

  • standard-state and partial molar arrays

  • implemented state setter/getter pairs

  • TP and HP equilibrium

  • mixture viscosity and thermal conductivity

  • static kinetics parity

  • reactor trajectory parity

Interpreting the current status

The validation evidence in this repository is strongest for:

  • ideal-gas Solution property parity

  • equilibrium correctness for TP and HP

  • constant-pressure reactor temperature trajectories

It is weaker for:

  • breadth of transport modeling beyond viscosity and thermal conductivity

  • equilibrium modes outside the currently implemented pair

  • non-ideal chemistry

Representative plots

Thermodynamic validation plots Equilibrium validation plots

Running the tests

From the repository root:

python -m pytest tests -q

Performance note

Correctness parity is ahead of performance parity. In particular, HP equilibrium is currently much slower than Cantera because it wraps repeated TP solves inside an outer temperature iteration.

Source material

The deeper benchmark tables and internal notes that informed this page still live in the repository wiki sources under docs/wiki/.