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@Jhsmit Jhsmit commented Jul 12, 2021

Specifically the ones for reading/writing pandas dataframes to .csv files or StringIO objects.

Updated functions in this PR save metadata in json format alongside the data.
The field <pandas_kwargs> is used to readout the file again such that index/multiindex in the read dataframe is identical to the original dataframe.

An additional field is used to store metadata in df['attrs'].metadata or in pyhdx.models.Protein.metadata

Additional features:

  • Save/load pyhdx.models.HDXMeasurement objects in txt file
  • Save TorchFitResult objects to file with associated metadata (epochs, losses, regularizers, etc)
  • Losses are now stored in TorchFitResult as a dataframe

@Jhsmit Jhsmit merged commit f7f492e into master Jul 12, 2021
@Jhsmit Jhsmit deleted the fileio branch September 26, 2023 13:45
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