species¶
Species normalization helpers for kMCpy structure code.
- kmcpy.structure.species.is_vacancy_species(specie)[source]¶
Return whether a species-like value represents a vacancy.
- Return type:
bool
- kmcpy.structure.species.normalize_species(value)[source]¶
Normalize strings to pymatgen species and vacancy labels to
X.- Return type:
Any
- kmcpy.structure.species.species_equivalent(left, right)[source]¶
Return whether two species-like values share any comparable token.
- Return type:
bool
- kmcpy.structure.species.species_label(specie)[source]¶
Return a compact serialized label for a species-like value.
- Return type:
str