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

Implement `sasa()` in Rust

#867Merged

Comparing

padix-key:rust-sasa

(

055ad4f

) with

rust

(

2018578

)

+1%

Untouched: 63

New: 27

No successful run was found on rust ( 842cba8) during the generation of this report, so main ( 2018578) was used instead as the comparison base. There might be some changes unrelated to this pull request in this report.

Benchmarks

90 total

benchmark_find_rotatable_bonds

benchmarks/structure/benchmark_bonds.py

N/A

N/A44 ms

benchmark_conversion[as_graph]

benchmarks/structure/benchmark_bonds.py

N/A

N/A8.8 ms

benchmark_conversion[as_array]

benchmarks/structure/benchmark_bonds.py

N/A

N/A116.1 µs

benchmark_find_connected

benchmarks/structure/benchmark_bonds.py

N/A

N/A297.8 µs

benchmark_cell_list_creation

benchmarks/structure/benchmark_celllist.py

N/A

N/A339.1 µs

benchmark_cell_list_compute_contacts[MASK]

benchmarks/structure/benchmark_celllist.py

N/A

N/A22.1 ms

benchmark_conversion[as_set]

benchmarks/structure/benchmark_bonds.py

N/A

N/A886.7 µs

benchmark_conversion[get_all_bonds]

benchmarks/structure/benchmark_bonds.py

N/A

N/A179.1 µs

benchmark_conversion[bond_type_matrix]

benchmarks/structure/benchmark_bonds.py

N/A

N/A1.4 ms

benchmark_cell_list_compute_contacts[PAIRS]

benchmarks/structure/benchmark_celllist.py

N/A

N/A19 ms

benchmark_partial_charges

benchmarks/structure/benchmark_charges.py

N/A

N/A728.4 µs

benchmark_bond_list_creation

benchmarks/structure/benchmark_bonds.py

N/A

N/A808.5 µs

benchmark_get_all_bonds

benchmarks/structure/benchmark_bonds.py

N/A

N/A180.6 µs

benchmark_get_remark

benchmarks/structure/benchmark_pdb.py

N/A

N/A170.5 µs

benchmark_get_bonds

benchmarks/structure/benchmark_bonds.py

N/A

N/A15.2 ms

benchmark_connect[connect_via_distances]

benchmarks/structure/benchmark_bonds.py

N/A

N/A26.1 ms

benchmark_get_structure

benchmarks/structure/benchmark_pdb.py

N/A

N/A4 ms

benchmark_concatenate

benchmarks/structure/benchmark_bonds.py

N/A

N/A317.5 µs

benchmark_get_coord

benchmarks/structure/benchmark_pdb.py

N/A

N/A584.6 µs

benchmark_get_structure_with_bonds

benchmarks/structure/benchmark_pdb.py

N/A

N/A55.4 ms

benchmark_conversion[adjacency_matrix]

benchmarks/structure/benchmark_bonds.py

N/A

N/A1.4 ms

benchmark_connect[connect_via_residue_names]

benchmarks/structure/benchmark_bonds.py

N/A

N/A50.1 ms

benchmark_cell_list_compute_contacts[MAPPING]

benchmarks/structure/benchmark_celllist.py

N/A

N/A18.8 ms

benchmark_read

benchmarks/structure/benchmark_pdb.py

N/A

N/A1.9 ms

benchmark_set_structure

benchmarks/structure/benchmark_pdb.py

N/A

N/A11.6 ms

Commits

Click on a commit to change the comparison range

Base

main

2018578

+0.91%

Implement `sasa()` in Rust

055ad4f

18 days ago

by padix-key

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