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fix: allow ccd residues with missing coords

#730Merged
Comparing
davegrays:fix/allow-all-ccd-residues
(
4e931fb
) with
main
(
226f2b4
)
CodSpeed Performance Gauge
0%
Untouched
59

Benchmarks

59 total
benchmark_match[BucketKmerTable(10000)-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
+1%
620.3 µs614.6 µs
benchmark_lddt[False-all]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
+1%
214.2 ms212.5 ms
benchmark_match[KmerTable-None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
+1%
495.9 µs492.9 µs
benchmark_match[KmerTable-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
+1%
535.9 µs533.1 µs
benchmark_match[BucketKmerTable(10000)-None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
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583.7 µs581 µs
benchmark_deserialize_pdbx[cif]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
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93.4 ms93.1 ms
benchmark_match_table[BucketKmerTable(10000)-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
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13.7 ms13.7 ms
benchmark_match_kmer_selection[BucketKmerTable(10000)-None]
benchmarks/sequence/align/benchmark_kmers.py
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547.7 µs546.3 µs
benchmark_match_kmer_selection[BucketKmerTable(10000)-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
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546.7 µs545.4 µs
benchmark_set_structure[bcif-False]
benchmarks/structure/benchmark_pdbx.py
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10.7 ms10.6 ms
benchmark_get_structure[cif-True]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
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106.9 ms106.7 ms
benchmark_match_table[KmerTable-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
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15 ms14.9 ms
benchmark_structural_alphabet_methods[to_3di]
benchmarks/structure/benchmark_alphabet.py
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13.5 ms13.5 ms
test_pickle_and_unpickle[KmerTable-None]
benchmarks/sequence/align/benchmark_kmers.py
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38.6 ms38.6 ms
benchmark_serialize_pdbx[bcif]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
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74.8 ms74.6 ms
benchmark_match_kmer_selection[KmerTable-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
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456 µs455.2 µs
benchmark_match_table[BucketKmerTable(10000)-None]
benchmarks/sequence/align/benchmark_kmers.py
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13.8 ms13.8 ms
benchmark_get_structure[bcif-False]
benchmarks/structure/benchmark_pdbx.py
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19.6 ms19.6 ms
benchmark_indexing_from_sequences[11*11*1*1***111-BucketKmerTable(100000)]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
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13.3 ms13.3 ms
benchmark_indexing_from_kmers[11*11*1*1***111-KmerTable]
benchmarks/sequence/align/benchmark_kmers.py
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12.2 ms12.2 ms
benchmark_get_structure[bcif-True]
benchmarks/structure/benchmark_pdbx.py
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75.3 ms75.3 ms
benchmark_serialize_pdbx[cif]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
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169.9 ms169.8 ms
test_pickle_and_unpickle[BucketKmerTable(10000)-None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
7.2 ms7.2 ms
benchmark_lddt[False-atom]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
0%
295.4 ms295.2 ms
benchmark_indexing_from_kmer_selection[11*11*1*1***111-KmerTable]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
11.3 ms11.3 ms

Commits

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Base
main
226f2b4
+0.21%
fix formatting
2a7fcbd
1 year ago
by davegrays
-0.08%
Merge pull request #2 from Croydon-Brixton/patch-1
1b110f4
1 year ago
by davegrays
-0.11%
propagate allow_missing_coord and add test
c519913
1 year ago
by davegrays
+0.03%
future-proof residue info test with missing coord
4e931fb
1 year ago
by davegrays
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