irradiapy.debris_dataset module

This module contains the DebrisDataset class.

class irradiapy.debris_dataset.DebrisDataset(path)

Bases: object

Metadata and cascade files for one MD debris dataset.

contributors: set[str]

doi: str

electronic_interactions: str

files_by_energy: dict[float, tuple[Path, ...]]

interatomic_potentials: set[str]

lattice: str

matches(recoil, component)

Return whether this dataset matches the requested recoil/component.

Return type:

bool

max_energy: float

path: str | Path

recoil: str

target: dict[str, float]

static target_matches_component(target, component)

Return whether metadata target stoichiometry matches a component.

Return type:

bool

static target_matches_metadata(target, metadata_target)

Return whether two metadata target stoichiometries match.

Return type:

bool