From c3bffd848a3080ac7f876947318449e828c7268a Mon Sep 17 00:00:00 2001 From: Jessica Nash Date: Wed, 24 Mar 2021 13:56:16 -0400 Subject: [PATCH] fix import statement for pymatgen structure --- quantumml/featurizers/base_cleasses.py | 2 +- quantumml/mlModels.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/quantumml/featurizers/base_cleasses.py b/quantumml/featurizers/base_cleasses.py index 875eee4..e6276f8 100644 --- a/quantumml/featurizers/base_cleasses.py +++ b/quantumml/featurizers/base_cleasses.py @@ -178,7 +178,7 @@ def featurize(self, `structures`. """ try: - from pymatgen import Structure + from pymatgen.core import Structure except ModuleNotFoundError: raise ImportError("This class requires pymatgen to be installed.") diff --git a/quantumml/mlModels.py b/quantumml/mlModels.py index deb4df3..757be4e 100644 --- a/quantumml/mlModels.py +++ b/quantumml/mlModels.py @@ -8,7 +8,7 @@ import ast import base64 from dscribe.descriptors import SOAP -from pymatgen import Structure +from pymatgen.core import Structure class MLModel: """ Base class for pre-trained machine learning model