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Refactor flat to dense conversion #264

Merged
merged 9 commits into from
Jan 16, 2025
Merged

Refactor flat to dense conversion #264

merged 9 commits into from
Jan 16, 2025

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GeorgWa
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@GeorgWa GeorgWa commented Jan 4, 2025

I wanted to make the conversion of flat libraries comaptible with arbitrary charged fragment types. This implementation follows the same logic as the old one but should be more modular and robust.

  • It handles all sorts of charged frag types
  • separates the functional and OOP logic so it can be reused
  • performs no in-place operations on pandas dataframes (the big alphabase footgun)

I will remove the old implementation in a separate PR

@GeorgWa GeorgWa requested review from mo-sameh and mschwoer January 4, 2025 08:37
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@GeorgWa GeorgWa changed the base branch from refactor-fragments to fragment-constant-II January 14, 2025 16:10
row_indices = row_indices[match_mask]

# create a dictionary with the mz matrix and the flat columns
df_collection = {"mz": fragment_mz_df}
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implemented here:
#277

Base automatically changed from fragment-constant-II to development January 16, 2025 20:27
@GeorgWa GeorgWa merged commit c8ce93e into development Jan 16, 2025
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@GeorgWa GeorgWa deleted the refactor-tobase branch January 16, 2025 20:28
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