get_structure_fingerprint

emmet.core.featurization.robocrys.condense.fingerprint.get_structure_fingerprint(structure, preset='CrystalNNFingerprint_ops', stats=('mean', 'std_dev'), prototype_match=False)

Gets the fingerprint for a structure.

Return type:

ndarray

Parameters:

• structure (IStructure)

• preset (str)

• stats (tuple[str, ...] | None)

• prototype_match (bool)

Args:

structure: A structure. preset: The preset to use when calculating the fingerprint. See

matminer.featurizers.structure.SiteStatsFingerprint` for more details.

stats: The stats to include in fingerprint. See

matminer.featurizers.structure.SiteStatsFingerprint` for more details.

prototype_match: Whether to use distance cutoffs and electron negativity

differences when calculating the structure fingerprint.

Returns:

The structure fingerprint as a numpy.ndarray.