ElementalFractionGenerator

class mastml.feature_generators.ElementalFractionGenerator(composition_df, remove_constant_columns=False)[source]

Bases: BaseGenerator

Class that is used to create 86-element vector of element fractions from material composition strings

Args:

composition_df: (pd.DataFrame), dataframe containing vector of chemical compositions (strings) to generate elemental features from

remove_constant_columns: (bool), whether to remove constant columns from the generated feature set

Methods:
fit: pass through, copies input columns as pre-generated features
Args:

X: (pd.DataFrame), input dataframe containing X data

y: (pd.Series), series containing y data

transform: generate the elemental fraction vector for each composition from composition strings
Args:

None.

Returns:

X: (dataframe), output dataframe containing generated features

y: (series), output y data as series

Methods Summary

fit([X, y])

generate_elementfraction_features()

transform([X])

Methods Documentation

fit(X=None, y=None)[source]
generate_elementfraction_features()[source]
transform(X=None)[source]