irradiapy.debris_database module

This module contains the DebrisDatabase class.

class irradiapy.debris_database.DebrisDatabase(root, electronic_interactions, target, lattice, interatomic_potentials=None, doi=None, contributors=None)

Bases: object

Database of MD debris datasets under a database root.

contributors: list[set[str]] | None = None

datasets: tuple[DebrisDataset, ...]

doi: set[str] | None = None

electronic_interactions: str

has_matches(recoil, component)

Return whether at least one dataset matches.

Return type:

bool

interatomic_potentials: list[set[str]] | None = None

lattice: str

matching_datasets(recoil, component)

Return datasets matching the requested recoil and component.

Return type:

tuple[DebrisDataset, ...]

matching_files_by_energy(recoil, component)

Return merged cascade files by energy for all matching datasets.

Return type:

dict[float, list[Path]]

root: str | Path

target: dict[str, float]