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haddocking / haddock3

Official repo of the modular BioExcel version of HADDOCK
https://www.bonvinlab.org/haddock3
Apache License 2.0
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Deprecation warnings in `pandas` #887

Closed VGPReys closed 1 week ago

VGPReys commented 1 month ago

Describe the bug

A value is trying to be set on a copy of a slice from a DataFrame.
Try using .loc[row_indexer,col_indexer] = value instead

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

haddock3/src/haddock/libs/libplots.py:792: SettingWithCopyWarning:

A value is trying to be set on a copy of a slice from a DataFrame.
Try using .loc[row_indexer,col_indexer] = value instead

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

haddock3/src/haddock/libs/libplots.py:793: FutureWarning:

The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.

haddock3/src/haddock/libs/libplots.py:807: FutureWarning:

The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.

Expected behavior No warnings, proper usage of the library.

Potential solution Correct script haddock3/src/haddock/libs/libplots.py from line 792.