[GabiAxel]

GROFile.getStructure did not contain any code for parsing and storing the atom_id column. This PR fixes it and allows access to the atom_id field.

[padix-key]

Thanks for the feature, this looks good to me. Could you run ruff on this PR? The code style check is currently failing

[codspeed]

Merging this PR will improve performance by 11.91%

⚡ 2 improved benchmarks
✅ 107 untouched benchmarks
⏩ 14 skipped benchmarks¹

Performance Changes

	Benchmark	BASE	HEAD	Efficiency
⚡	benchmark_match_kmer_selection[KmerTable-11*11*1*1***111]	277.4 µs	244.2 µs	+13.6%
⚡	benchmark_match[KmerTable-11*11*1*1***111]	376.1 µs	341.1 µs	+10.25%

Tip

Curious why performance improved? Comment @codspeedbot explain why performance improved on this PR, or directly use the CodSpeed MCP with your agent.

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_{Comparing GabiAxel:master (ae6de41) with main (67df9a4)}

Footnotes

1. 14 benchmarks were skipped, so the baseline results were used instead. If they were deleted from the codebase, click here and archive them to remove them from the performance reports. ↩

[GabiAxel]

I fixed the code style issue.