douweschulte / pdbtbx

A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.

Home Page:https://crates.io/crates/pdbtbx

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Issues with `remove_models_except` implementation

douweschulte opened this issue · comments

I made a unit test for remove_models_except to test out the new features and it shows some problems with the implementation. When I remove all except &[5, 1, 3] the resulting pdb contains models [5, 0, 1]. I added the unit test in the branch remove_except_issue for ease of testing, alongside a very simple testing pdb. @OWissett could you look into this?

Yes, I will fix this in the morning! Thanks for the catch!

This will be because of index shifting, I thought I accounted for this, but clearly not... lol