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Make `filter_monoatomic_ions()` more rigorous

#887Merged
Comparing
padix-key:fix-ion-filter
(
1e6824b
) with
main
(
2e5ef85
)
CodSpeed Performance Gauge
0%
Untouched
98

Benchmarks

98 total
benchmark_get_all_bonds
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
+2%
184.8 µs181.3 µs
benchmark_superimpose[superimpose_homologs]
benchmarks/structure/benchmark_superimpose.py
CodSpeed Performance Gauge
+1%
28.8 ms28.5 ms
benchmark_structural_alphabet_methods[to_protein_blocks]
benchmarks/structure/benchmark_alphabet.py
CodSpeed Performance Gauge
+1%
7 ms6.9 ms
benchmark_find_connected
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
+1%
307.3 µs303.7 µs
benchmark_concatenate
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
+1%
320.1 µs317 µs
benchmark_partial_charges
benchmarks/structure/benchmark_charges.py
CodSpeed Performance Gauge
+1%
732.9 µs726.6 µs
benchmark_conversion[get_all_bonds]
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
+1%
181.1 µs179.7 µs
benchmark_superimpose[superimpose_without_outliers]
benchmarks/structure/benchmark_superimpose.py
CodSpeed Performance Gauge
+1%
17.4 ms17.3 ms
benchmark_conversion[as_set]
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
0%
862 µs858 µs
benchmark_clustering[upgma]
benchmarks/sequence/benchmark_phylo.py
CodSpeed Performance Gauge
0%
489.1 µs487.3 µs
benchmark_superimpose[superimpose_structural_homologs]
benchmarks/structure/benchmark_superimpose.py
CodSpeed Performance Gauge
0%
32.3 ms32.2 ms
benchmark_serialize_pdbx[cif]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
0%
200.2 ms199.7 ms
test_pickle_and_unpickle[KmerTable-None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
39.1 ms39 ms
benchmark_set_structure[cif-False]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
0%
104 ms103.7 ms
benchmark_clustering[neighbor_joining]
benchmarks/sequence/benchmark_phylo.py
CodSpeed Performance Gauge
0%
623 µs621.7 µs
benchmark_structural_alphabet_methods[to_3di]
benchmarks/structure/benchmark_alphabet.py
CodSpeed Performance Gauge
0%
10 ms9.9 ms
test_pickle_and_unpickle[KmerTable-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
39 ms38.9 ms
benchmark_set_structure[cif-True]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
0%
128.2 ms128 ms
benchmark_set_structure
benchmarks/structure/benchmark_pdb.py
CodSpeed Performance Gauge
0%
34.3 ms34.2 ms
benchmark_match[BucketKmerTable(10000)-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
623.8 µs622.9 µs
benchmark_indexing_from_sequences[None-BucketKmerTable(100000)]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
9.5 ms9.5 ms
benchmark_match[KmerTable-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
541.7 µs541.1 µs
benchmark_match_table[KmerTable-None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
15.2 ms15.2 ms
benchmark_conversion[bond_type_matrix]
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
0%
1.4 ms1.4 ms
benchmark_kmer_decomposition[11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
186 µs185.8 µs

Commits

Click on a commit to change the comparison range
Base
main
2e5ef85
+0.03%
Make `filter_monoatomic_ions()` more rigorous
1e6824b
11 days ago
by padix-key
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