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abstractrawdataset updated #202
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This PR aims at fixing a bug that was hidden inside the |
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Looks good to me. One comment about the feature update lines is that if we should keep them here and remove the ones in SimplePickleDataset
since the data is loaded here?
@pzhanggit that's a good point. AbstractRawDataset is meant to be an "intermediate" layer between the AbstractBaseDataset class and any fully specified dataset class. Therefore, to me it seems like keeping the feature update lines into |
@pzhanggit @jychoi-hpc |
@jychoi-hpc @pzhanggit |
This PR addresses two issues:
self.__normalize_dataset()
is safeguarded by a boolean variable and used only when the user specifies it in the .JSON fileAbstractRawDataset
.update_predicted_values
andupdate_atom_features
are already included in the SimplePickleDataset class. Therefore, there is no need to used them now insideAbstractRawDataset