aquakin.check_conservation#

aquakin.check_conservation(model, composition, *, tol=0.01, params=None, quantities=None)[source]#

Return the list of conservation violations (reaction, quantity, residual).

A reaction/quantity pair is reported when abs(residual) > tol. The default tol (1e-2) tolerates the two-decimal rounding of published stoichiometric coefficients while still flagging genuine imbalances (which are typically order 0.1-1). Restrict to specific quantities if desired.

Parameters:

  • model (CompiledModel)

  • composition (Composition)

  • tol (float)

  • params (Any | None)

  • quantities (list[str] | None)

Return type:

list[tuple[str, str, float]]