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Use the element as atom name for single atoms in `create_atom_names()`

#897
Comparing
padix-key:ion-atom-names
(
4e270a9
) with
main
(
c236d1a
)
CodSpeed Performance Gauge
0%
Untouched
98

Benchmarks

98 total
benchmark_create_kmers
benchmarks/sequence/align/benchmark_kmer.py
CodSpeed Performance Gauge
+4%
232.6 µs224.3 µs
benchmark_kmer_decomposition[None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
+3%
135.4 µs132.1 µs
benchmark_encode
benchmarks/sequence/benchmark_alphabet.py
CodSpeed Performance Gauge
+2%
183 µs179.7 µs
benchmark_conversion[as_array]
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
+1%
116.1 µs114.4 µs
benchmark_get_all_bonds
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
+1%
182.3 µs180.2 µs
benchmark_conversion[get_all_bonds]
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
+1%
180.6 µs178.6 µs
benchmark_similar_kmers
benchmarks/sequence/align/benchmark_kmer.py
CodSpeed Performance Gauge
+1%
318.9 µs316 µs
benchmark_kmer_decomposition[11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
+1%
185 µs183.8 µs
benchmark_concatenate
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
+1%
317.4 µs315.5 µs
benchmark_read
benchmarks/structure/benchmark_pdb.py
CodSpeed Performance Gauge
+1%
3.5 ms3.5 ms
benchmark_clustering[upgma]
benchmarks/sequence/benchmark_phylo.py
CodSpeed Performance Gauge
0%
487.6 µs485.1 µs
benchmark_find_connected
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
0%
305.8 µs304.4 µs
benchmark_get_remark
benchmarks/structure/benchmark_pdb.py
CodSpeed Performance Gauge
0%
758.1 µs754.7 µs
benchmark_match_kmer_selection[BucketKmerTable(10000)-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
540 µs537.7 µs
benchmark_match_kmer_selection[KmerTable-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
458.2 µs456.3 µs
benchmark_compress
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
0%
701.4 ms698.5 ms
benchmark_cell_list_creation
benchmarks/structure/benchmark_celllist.py
CodSpeed Performance Gauge
0%
934.1 µs930.3 µs
benchmark_partial_charges
benchmarks/structure/benchmark_charges.py
CodSpeed Performance Gauge
0%
728.7 µs725.9 µs
benchmark_connect[connect_via_residue_names]
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
0%
50.9 ms50.7 ms
benchmark_match_kmer_selection[KmerTable-None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
459.6 µs457.9 µs
benchmark_clustering[neighbor_joining]
benchmarks/sequence/benchmark_phylo.py
CodSpeed Performance Gauge
0%
623 µs621 µs
benchmark_match[KmerTable-None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
492.9 µs491.3 µs
benchmark_match_table[BucketKmerTable(10000)-None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
13 ms12.9 ms
benchmark_get_structure_with_bonds
benchmarks/structure/benchmark_pdb.py
CodSpeed Performance Gauge
0%
77.7 ms77.5 ms
benchmark_match_kmer_selection[BucketKmerTable(10000)-None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
539.8 µs538.7 µs

Commits

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Base
main
c236d1a
+0.17%
Use the element as atom name for single atoms in `create_atom_names()`
4e270a9
4 days ago
by padix-key
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