openpkflow.sim¶

Analytical PK simulation: 1- and 2-compartment models, IV bolus/infusion/oral, repeated dosing.

Public API¶

Symbol	Type	Description
`simulate(model, regimen, times)`	function	Main entry point; returns `SimulationResult`
`OneCompartmentModel`	dataclass	1-cmt model (frozen); routes: `iv_bolus`, `iv_infusion`, `oral`
`TwoCompartmentModel`	dataclass	2-cmt model (frozen); routes: `iv_bolus`, `iv_infusion`, `oral`
`DoseRegimen`	dataclass	Tuple of `Dose` objects; `.from_repeated()` factory
`Dose`	dataclass	Single dose: `amount`, `time`, `route`, optional `t_inf`
`SimulationResult`	dataclass	`.Cmax`, `.Tmax`, `.summary()`, `.plot()`, `.report()`, `.to_dataframe()`
`c_1cmt_iv_bolus(...)`	function	1-cmt IV bolus analytical equation
`c_1cmt_iv_infusion(...)`	function	1-cmt IV infusion analytical equation
`c_1cmt_oral(...)`	function	1-cmt oral (Bateman) analytical equation
`c_2cmt_iv_bolus(...)`	function	2-cmt IV bolus biexponential equation
`c_2cmt_iv_infusion(...)`	function	2-cmt IV infusion biexponential ramp equation
`c_2cmt_oral(...)`	function	2-cmt oral three-exponential equation
`superpose(times, dose_times, dose_amounts, unit_fn)`	function	Linear multi-dose superposition

All equations are analytical closed-form (no numerical ODE integration).
Superposition is linear-system only. Not valid for nonlinear (Michaelis-Menten) elimination.
2-cmt IV infusion was added in v0.9.1. The analytical formula follows Gibaldi & Perrier, 2nd ed. (1982), Eqs. 3-28 to 3-30.

Route	1-cmt	2-cmt
IV bolus / infusion	`CL`, `Vz`	`CL`, `V1`, `Q`, `V2`
oral	`CL_F`, `Vz_F`, `ka`	`CL_F`, `V1_F`, `Q`, `V2`, `ka`