pymkm.mktable.compute

Computation engine for MKTable.

This module defines the logic to compute microdosimetric quantities (z̄*, z̄_d, z̄_n) for a set of ions based on the MKM or SMK model using energy–LET tables.

It integrates track structure modeling, specific energy calculation, saturation correction, and optional oxygen-effect scaling (OSMK 2023).

pymkm.mktable.compute.compute(self: MKTable, ions: List[str | int] | None = None, energy: float | List[float] | ndarray | None = None, parallel: bool = True, integration_method: str = 'trapz') → None[source]

Compute per-ion microdosimetric tables using MKM or SMK model.

For each ion:

  • Retrieves energy–LET grid

  • Computes specific energy and dose-averaged quantities

  • Applies saturation correction and optional OSMK

  • Aggregates into a structured table

Parameters:

  • self (MKTable) – MKTable instance.

  • ions (list[str or int], optional) – Ion identifiers to compute. If None, all available ions are used.

  • energy (float or list or np.ndarray, optional) – Custom energy grid for resampling (if any).

  • parallel (bool) – Whether to enable multiprocessing.

  • integration_method (str) – Integration scheme (‘trapz’, ‘simps’, ‘quad’).

Raises:

RuntimeError – If MKTable is not initialized.