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ml-evs committed Dec 16, 2022
1 parent 2f30219 commit 45a9836
Showing 1 changed file with 3 additions and 0 deletions.
3 changes: 3 additions & 0 deletions modnet/featurizers/presets/debreuck_2020.py
Original file line number Diff line number Diff line change
Expand Up @@ -34,6 +34,7 @@ def __init__(self, fast_oxid: bool = False):
"""
import matminer

if matminer.__version__ != self.package_version_requirements["matminer"]:
warnings.warn(
f"The {self.__class__.__name__} preset was written for and tested only with matminer{self.package_version_requirements['matminer']}.\n"
Expand Down Expand Up @@ -154,6 +155,7 @@ def featurize_composition(self, df):
"""
from pymatgen.core.periodic_table import Element

df = super().featurize_composition(df)

_orbitals = {"s": 1, "p": 2, "d": 3, "f": 4}
Expand Down Expand Up @@ -256,6 +258,7 @@ class CompositionOnlyFeaturizer(DeBreuck2020Featurizer):
writing with their default hyperparameters and presets.
"""

def __init__(self):
super().__init__()
self.oxid_composition_featurizers = ()
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