Monomer Library Import/Export

[ieva-jonusaite]

Monomer Library Import/Export

Background

This feature enables users to export and import their custom monomer library.
The system must display an error message if the user attempts to import an invalid file (wrong format).
Error message example: "Import failed: The selected file is not a valid monomer library file. Please check the file format and try again."

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Requirement

1. UI Changes

• Add two new buttons, Import and Export, to the monomer panel (similar to settings download for small molecules).

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2. Export Workflow

• On Export click, a "Save As" dialog must appear.
• The dialog must provide a dropdown to select the File format:
  • KET
  • SCSR
• The exported file will contain all monomers from the user's custom library.

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3. Import Workflow

• On Import click, a file selection dialog must appear.
• After a file is selected, a confirmation dialog must be shown with the following choices for handling the imported monomers:

A. Replace

• Logic: Deletes all existing custom monomers and replaces them with the library from the file.
• Warning: The dialog must display the text:
  "This will delete all of your existing custom monomers."

B. Merge

• Logic: Adds monomers from the file to the current library.
• Duplicate Handling: If Merge is selected, the user must also choose how to handle monomers with a matching structure/code (InChi)/type:
  • Option 1: Keep existing: The monomer in the current library is kept; the incoming one is ignored.
  • Option 2: Overwrite with new: The monomer in the current library is replaced by the incoming one.

C. Add

• Logic: Adds only new monomers from the imported file that do not already exist in the current library. Existing monomers are left unchanged.
• Warning: If no new monomers are found in the imported file, display:
  "No new monomers were added. All imported monomers already exist in your library."

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[aslmbk]

@AlexeyGirin
A question about duplicate detection for Merge.

The issue says duplicates are matched by structure/code (InChi)/type. The InChI part is the tricky one:

• Monomer templates contain attachment points / leaving groups, and InChI can't represent them. So what counts as "the same structure" here? Strip the leaving groups before comparison, or compare the full template?
• InChI is computed via Indigo — one async call per monomer. For the default library that's ~1300 calls per import (in remote mode — 1300+ HTTP requests).

Is it acceptable for the first iteration to match duplicates by symbol + monomer type only, and add InChI-based structure matching as a separate follow-up?

And one more: what exactly counts as the custom library for export — only custom monomers, or custom RNA presets (monomer group templates) too?