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MSMetaEnhancer 0.3.0 #352

Merged
merged 6 commits into from
May 18, 2023
Merged

MSMetaEnhancer 0.3.0 #352

merged 6 commits into from
May 18, 2023

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xtrojak
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@xtrojak xtrojak commented May 16, 2023

Close #350.

@xtrojak xtrojak requested a review from hechth May 16, 2023 08:45
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hechth commented May 16, 2023

Did you also include the new data input types?

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xtrojak commented May 16, 2023

Did you also include the new data input types?

Not yet, finished it now in a090bea. However, there is an issue with xlsx format which needs to be resolved:

Traceback (most recent call last):
  File "/usr/local/lib/python3.10/site-packages/pandas/io/excel/_base.py", line 1111, in __new__
    engine = config.get_option(f"io.excel.{ext}.writer", silent=True)
  File "/usr/local/lib/python3.10/site-packages/pandas/_config/config.py", line 261, in __call__
    return self.__func__(*args, **kwds)
  File "/usr/local/lib/python3.10/site-packages/pandas/_config/config.py", line 135, in _get_option
    key = _get_single_key(pat, silent)
  File "/usr/local/lib/python3.10/site-packages/pandas/_config/config.py", line 121, in _get_single_key
    raise OptionError(f"No such keys(s): {repr(pat)}")
pandas._config.config.OptionError: No such keys(s): 'io.excel.dat.writer'

The above exception was the direct cause of the following exception:

Traceback (most recent call last):
  File "/Users/xtrojak/Documents/GITs/galaxytools/tools/msmetaenhancer/msmetaenhancer_wrapper.py", line 52, in <module>
    main(argv=sys.argv[1:])
  File "/Users/xtrojak/Documents/GITs/galaxytools/tools/msmetaenhancer/msmetaenhancer_wrapper.py", line 47, in main
    app.save_data(args.output_file, file_format=args.file_format)
  File "/usr/local/lib/python3.10/site-packages/MSMetaEnhancer/app.py", line 43, in save_data
    self.data.save_data(filename, file_format)
  File "/usr/local/lib/python3.10/site-packages/MSMetaEnhancer/libs/data/DataFrame.py", line 41, in save_data
    self.df.to_excel(filename)
  File "/usr/local/lib/python3.10/site-packages/pandas/core/generic.py", line 2252, in to_excel
    formatter.write(
  File "/usr/local/lib/python3.10/site-packages/pandas/io/formats/excel.py", line 934, in write
    writer = ExcelWriter(  # type: ignore[abstract]
  File "/usr/local/lib/python3.10/site-packages/pandas/io/excel/_base.py", line 1115, in __new__
    raise ValueError(f"No engine for filetype: '{ext}'") from err
ValueError: No engine for filetype: 'dat'

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xtrojak commented May 16, 2023

@hechth what do you think about the xlsx solution from 0773134?

@hechth hechth merged commit 538d6c0 into RECETOX:master May 18, 2023
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MSMetaEnhancer: update to 0.3.0
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