SiteStatsFingerprint

class emmet.core.featurization.featurizers.SiteStatsFingerprint(site_featurizer=<factory>, stats=<factory>)

Bases: Featurizer

Computes statistics of properties across all sites in a structure.

Adapted and simplified significantly from matminer.featurizers.structure.sites.

Args:

site_featurizerFeaturizer

Featurization to use on each site of a structure.

statslist of str

Should be a list of statistics in FeatureStats

Parameters:

• site_featurizer (Featurizer)

• stats (list[str])

static get_stat(op, vals)

Compute statistics of a 1-D array.

Return type:

float

Parameters:

• op (str | FeatureStats)

• vals (list[float])

Args:

opstr or FeatureStats

A statistic name to compute

valslist[float]

An ordered list of floats

Returns:

float, the statistic

featurize(s)

Main featurizer function, which has to be implemented in any derived featurizer subclass.

Return type:

list[float] | list[list[float]]

Parameters:

s (Structure)

Args:

x: input data to featurize (type depends on featurizer).

Returns:

(list) one or more features.

property feature_labels: list[str]

Generate feature labels.

Returns:

list of str, the labels of the features