Fix PanicException for single residues in connect_inter_residue()

[padix-key]

No description provided.

[codspeed-hq]

Merging this PR will degrade performance by 54.34%

⚠️ Different runtime environments detected

Some benchmarks with significant performance changes were compared across different runtime environments,
which may affect the accuracy of the results.

Open the report in CodSpeed to investigate

⚡ 21 improved benchmarks
❌ 3 regressed benchmarks
✅ 63 untouched benchmarks
🆕 3 new benchmarks
⏩ 11 skipped benchmarks¹

⚠️ Please fix the performance issues or acknowledge them on CodSpeed.

Performance Changes

	Benchmark	BASE	HEAD	Efficiency
⚡	benchmark_connect[connect_via_distances]	26.1 ms	2.6 ms	×10
⚡	benchmark_concatenate	317.1 µs	206.8 µs	+53.35%
❌	benchmark_conversion[as_graph]	8.7 ms	11.9 ms	-26.95%
❌	benchmark_find_connected	304.4 µs	465.9 µs	-34.67%
⚡	benchmark_connect[connect_via_residue_names]	50.9 ms	4.4 ms	×12
⚡	benchmark_bond_list_creation	813.9 µs	269.2 µs	×3
⚡	benchmark_conversion[bond_type_matrix]	1.4 ms	1.3 ms	+10.04%
❌	benchmark_find_rotatable_bonds	43.9 ms	96.2 ms	-54.34%
⚡	benchmark_conversion[get_all_bonds]	180.2 µs	149.8 µs	+20.26%
⚡	benchmark_get_all_bonds	181.9 µs	151.3 µs	+20.18%
⚡	benchmark_get_bonds	15.3 ms	7.3 ms	×2.1
⚡	benchmark_partial_charges	729.7 µs	142.7 µs	×5.1
🆕	benchmark_cell_list_compute_contacts[PAIRS]	N/A	17.9 ms	N/A
🆕	benchmark_cell_list_compute_contacts[MASK]	N/A	19.7 ms	N/A
🆕	benchmark_cell_list_compute_contacts[MAPPING]	N/A	18 ms	N/A
⚡	benchmark_get_coord	4,235.8 µs	587.2 µs	×7.2
⚡	benchmark_get_remark	758.2 µs	172.4 µs	×4.4
⚡	benchmark_cell_list_creation	942.1 µs	337.3 µs	×2.8
⚡	benchmark_set_structure	34.2 ms	11.5 ms	×3
⚡	benchmark_get_structure_with_bonds	77.6 ms	9.2 ms	×8.4
...	...	...	...	...

ℹ️ Only the first 20 benchmarks are displayed. Go to the app to view all benchmarks.

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_{Comparing padix-key:rust-connect-fix (cfcdd50) with main (00d5b98)²}

Footnotes

1. 11 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. ↩

2. No successful run was found on rust (bd495d4) during the generation of this report, so main (00d5b98) was used instead as the comparison base. There might be some changes unrelated to this pull request in this report. ↩