padix-key:rust-celllist - Branch - biotite-dev/biotite

Implement `CellList` in Rust

#864

Comparing

padix-key:rust-celllist

(

e6d2695

) with

rust

(

5fde24b

)

+10%

Improvement: 1

Untouched: 62

New: 27

No successful run was found on rust ( 545c8c5) during the generation of this report, so main ( 5fde24b) was used instead as the comparison base. There might be some changes unrelated to this pull request in this report.

Benchmarks

90 total

benchmark_lddt[False-all]

benchmarks/structure/benchmark_compare.py

+10%

227.3 ms205.7 ms

benchmark_conversion[get_all_bonds]

benchmarks/structure/benchmark_bonds.py

N/A

N/A178 µs

benchmark_find_rotatable_bonds

benchmarks/structure/benchmark_bonds.py

N/A

N/A44 ms

benchmark_get_all_bonds

benchmarks/structure/benchmark_bonds.py

N/A

N/A179.2 µs

benchmark_find_connected

benchmarks/structure/benchmark_bonds.py

N/A

N/A297.2 µs

benchmark_partial_charges

benchmarks/structure/benchmark_charges.py

N/A

N/A729.9 µs

benchmark_cell_list_creation

benchmarks/structure/benchmark_celllist.py

N/A

N/A342 µs

benchmark_get_bonds

benchmarks/structure/benchmark_bonds.py

N/A

N/A15.1 ms

benchmark_read

benchmarks/structure/benchmark_pdb.py

N/A

N/A1.9 ms

benchmark_get_remark

benchmarks/structure/benchmark_pdb.py

N/A

N/A170.3 µs

benchmark_get_structure

benchmarks/structure/benchmark_pdb.py

N/A

N/A4 ms

benchmark_get_structure_with_bonds

benchmarks/structure/benchmark_pdb.py

N/A

N/A55.7 ms

benchmark_set_structure_with_bonds

benchmarks/structure/benchmark_pdb.py

N/A

N/A11.8 ms

benchmark_set_structure

benchmarks/structure/benchmark_pdb.py

N/A

N/A11.7 ms

benchmark_sasa

benchmarks/structure/benchmark_sasa.py

N/A

N/A289 ms

benchmark_get_coord

benchmarks/structure/benchmark_pdb.py

N/A

N/A584.2 µs

benchmark_bond_list_creation

benchmarks/structure/benchmark_bonds.py

N/A

N/A806.9 µs

benchmark_conversion[as_graph]

benchmarks/structure/benchmark_bonds.py

N/A

N/A8.8 ms

benchmark_concatenate

benchmarks/structure/benchmark_bonds.py

N/A

N/A316.5 µs

benchmark_cell_list_compute_contacts[MASK]

benchmarks/structure/benchmark_celllist.py

N/A

N/A22.8 ms

benchmark_conversion[as_array]

benchmarks/structure/benchmark_bonds.py

N/A

N/A115.5 µs

benchmark_connect[connect_via_distances]

benchmarks/structure/benchmark_bonds.py

N/A

N/A26.1 ms

benchmark_conversion[as_set]

benchmarks/structure/benchmark_bonds.py

N/A

N/A881.8 µs

benchmark_connect[connect_via_residue_names]

benchmarks/structure/benchmark_bonds.py

N/A

N/A50.3 ms

benchmark_conversion[adjacency_matrix]

benchmarks/structure/benchmark_bonds.py

N/A

N/A1.4 ms

Commits

Click on a commit to change the comparison range

Base

main

5fde24b

+10.46%

Add links to Rust source

e6d2695

18 hours ago

by padix-key

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