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Ensure compatibility with Biotite 0.37 #9

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merged 26 commits into from
May 30, 2023
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@padix-key padix-key commented Mar 29, 2023

The upcoming version of Biotite will index model start lines and atom records in PDBFile to avoid repetitive searches for such records in the file. This PR adapts the indexing to fastpdb.PDBFile. More precisely it adds the model_start_i and atom_line_i fields to the PDBFile struct and uses them throughout the code.
Furthermore, the bond parsing is refactored: Known bond orders are not converted to BondType.ANY anymore.

@padix-key padix-key merged commit c704735 into biotite-dev:main May 30, 2023
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