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This repository was archived by the owner on Nov 20, 2025. It is now read-only.
This repository was archived by the owner on Nov 20, 2025. It is now read-only.

Initialize amino acid constants and polyphenol derivations at startup with user-defined oligomerization degree #28

@KevinBillet

Description

@KevinBillet

Currently, amino acid constants and polyphenol derivation patterns are not loaded automatically at the start of the workflow. It would improve usability if these were initialized by default when the package loads or the analysis begins.

Additionally, the degree of oligomerization for amino acids should be left flexible, allowing users to specify it according to their needs. This change would streamline the workflow and reduce manual setup steps for users.

Proposed changes:

  • Automatically load amino acid constants at package startup or during initialization.
  • Automatically load common polyphenol derivation definitions.
  • Add a parameter allowing users to set the desired oligomerization degree of amino acids.
  • Ensure backward compatibility with current manual setup.

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