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Refactoring data reading and writing #116

Merged
merged 24 commits into from
Feb 5, 2024
Merged

Refactoring data reading and writing #116

merged 24 commits into from
Feb 5, 2024

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hechth
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@hechth hechth commented Feb 5, 2024

Closes #59

Please re-create the environment for testing and reviewing these changes based on the poetry.yaml file.

  • Changed RetentionIndexType and RetentionTimeType to float - they are now no longer allowed to be None
  • PandasData and MatchmsData now both initialize empty values as 0
  • Added support for other data formats which are supported by Pandas and matchms
  • Moved tests back into the individual test files for the classes
  • Updated dependencies to newer versions
  • Updates CI

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Perhaps rename file to match function name, for consistency: test_data_extract_ri.py --> test_data_init_ri_from_comment.py ?

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The logic behind the changes looks good to me.

@hechth hechth merged commit 7684d26 into main Feb 5, 2024
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Refactor data handling
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