diff --git a/espfit/tests/test_app_train_sampler.py b/espfit/tests/test_app_train_sampler.py index 8d39e32..1292f4c 100644 --- a/espfit/tests/test_app_train_sampler.py +++ b/espfit/tests/test_app_train_sampler.py @@ -45,7 +45,7 @@ def test_load_dataset(tmpdir): # Prepare input dataset ready for training temporary_directory = tmpdir.mkdir('misc') - ds.drop_and_merge_duplicates(save_merged_dataset=True, dataset_name='misc', output_directory_path=str(temporary_directory)) + ds.drop_duplicates(save_merged_dataset=True, dataset_name='misc', output_directory_path=str(temporary_directory)) ds.reshape_conformation_size(n_confs=50) ds.compute_relative_energy()