diff --git a/augur/filter.py b/augur/filter.py index bb7f27dda..d98559b4b 100644 --- a/augur/filter.py +++ b/augur/filter.py @@ -100,6 +100,7 @@ def register_arguments(parser): subsample_group.add_argument('--sequences-per-group', type=int, help="subsample to no more than this number of sequences per category") subsample_group.add_argument('--subsample-max-sequences', type=int, help="subsample to no more than this number of sequences") parser.add_argument('--group-by', nargs='+', help="categories with respect to subsample; two virtual fields, \"month\" and \"year\", are supported if they don't already exist as real fields but a \"date\" field does exist") + parser.add_argument('--probabilistic-sampling', action='store_true', help="Sample probabilitically from groups -- useful when there are more groups than requested sequences") parser.add_argument('--subsample-seed', help="random number generator seed to allow reproducible sub-sampling (with same input data). Can be number or string.") parser.add_argument('--exclude-where', nargs='+', help="Exclude samples matching these conditions. Ex: \"host=rat\" or \"host!=rat\". Multiple values are processed as OR (matching any of those specified will be excluded), not AND") @@ -329,25 +330,46 @@ def run(args): # this is only possible if we have imposed a maximum number of samples # to produce. we need binary search until we have the correct spg. try: - spg = _calculate_sequences_per_group( - args.subsample_max_sequences, - [len(sequences_in_group) - for sequences_in_group in seq_names_by_group.values()], - ) + length_of_sequences_per_group = [ + len(sequences_in_group) + for sequences_in_group in seq_names_by_group.values() + ] + + if args.probabilistic_sampling: + spg = _calculate_fractional_sequences_per_group( + args.subsample_max_sequences, + length_of_sequences_per_group + ) + else: + spg = _calculate_sequences_per_group( + args.subsample_max_sequences, + length_of_sequences_per_group + ) except TooManyGroupsError as ex: print(f"ERROR: {ex}", file=sys.stderr) sys.exit(1) print("sampling at {} per group.".format(spg)) + if args.probabilistic_sampling: + random_generator = np.random.default_rng() + # subsample each groups, either by taking the spg highest priority strains or # sampling at random from the sequences in the group seq_subsample = [] for group, sequences_in_group in seq_names_by_group.items(): + if args.probabilistic_sampling: + tmp_spg = random_generator.poisson(spg) + else: + tmp_spg = spg + + if tmp_spg == 0: + continue + if args.priority: #sort descending by priority - seq_subsample.extend(sorted(sequences_in_group, key=lambda x:priorities[x], reverse=True)[:spg]) + seq_subsample.extend(sorted(sequences_in_group, key=lambda x:priorities[x], reverse=True)[:tmp_spg]) else: - seq_subsample.extend(sequences_in_group if len(sequences_in_group)<=spg - else random.sample(sequences_in_group, spg)) + seq_subsample.extend(sequences_in_group if len(sequences_in_group)<=tmp_spg + else random.sample(sequences_in_group, tmp_spg)) num_excluded_subsamp = len(seq_keep) - len(seq_subsample) seq_keep = seq_subsample @@ -485,8 +507,8 @@ def __str__(self): def _calculate_total_sequences( - hypothetical_spg: int, sequence_lengths: Collection[int], -) -> int: + hypothetical_spg: float, sequence_lengths: Collection[int], +) -> float: # calculate how many sequences we'd keep given a hypothetical spg. return sum( min(hypothetical_spg, sequence_length) @@ -496,7 +518,7 @@ def _calculate_total_sequences( def _calculate_sequences_per_group( target_max_value: int, - sequence_lengths: Collection[int], + sequence_lengths: Collection[int] ) -> int: """This is partially inspired by https://github.com/python/cpython/blob/3.8/Lib/bisect.py @@ -537,13 +559,62 @@ def _calculate_sequences_per_group( lo = 1 hi = target_max_value + while hi - lo > 2: - mid = (lo + hi) // 2 + mid = (hi + lo) // 2 if _calculate_total_sequences(mid, sequence_lengths) <= target_max_value: lo = mid else: hi = mid + if _calculate_total_sequences(hi, sequence_lengths) <= target_max_value: - return hi + return int(hi) else: - return lo + return int(lo) + + +def _calculate_fractional_sequences_per_group( + target_max_value: int, + sequence_lengths: Collection[int] +) -> float: + """Returns the fractional sequences per group for the given list of group + sequences such that the total doesn't exceed the requested number of + samples. + + Parameters + ---------- + target_max_value : int + the total number of sequences allowed across all groups + sequence_lengths : Collection[int] + the number of sequences in each group + + Returns + ------- + float + fractional maximum number of sequences allowed per group to meet the + required maximum total sequences allowed + + >>> np.around(_calculate_fractional_sequences_per_group(4, [4, 2]), 4) + 1.9375 + >>> np.around(_calculate_fractional_sequences_per_group(2, [4, 2]), 4) + 0.9688 + + Unlike the integer-based version of this function, the fractional version + can accept a maximum number of sequences that exceeds the number of groups. + In this case, the function returns a fraction that can be used downstream, + for example with Poisson sampling. + + >>> np.around(_calculate_fractional_sequences_per_group(1, [4, 2]), 4) + 0.4844 + """ + lo = 1e-5 + hi = target_max_value + + while (hi / lo) > 1.1: + mid = (lo + hi) / 2 + if _calculate_total_sequences(mid, sequence_lengths) <= target_max_value: + lo = mid + else: + hi = mid + + return (lo + hi) / 2 diff --git a/tests/functional/filter.t b/tests/functional/filter.t new file mode 100644 index 000000000..66a53971b --- /dev/null +++ b/tests/functional/filter.t @@ -0,0 +1,47 @@ +Integration tests for augur filter. + + $ pushd "$TESTDIR" > /dev/null + $ export AUGUR="../../bin/augur" + +Filter with subsampling, requesting no more than 10 sequences. +With 10 groups to subsample from, this should produce one sequence per group. + + $ ${AUGUR} filter \ + > --sequences filter/sequences.fasta \ + > --metadata filter/metadata.tsv \ + > --min-date 2012 \ + > --group-by country year month \ + > --subsample-max-sequences 10 \ + > --subsample-seed 314159 \ + > --output "$TMP/filtered.fasta" > /dev/null + $ grep ">" "$TMP/filtered.fasta" | wc -l + 10 + $ rm -f "$TMP/filtered.fasta" + +Try to filter with subsampling when there are more available groups than requested sequences. +This should fail. + + $ ${AUGUR} filter \ + > --sequences filter/sequences.fasta \ + > --metadata filter/metadata.tsv \ + > --min-date 2012 \ + > --group-by country year month \ + > --subsample-max-sequences 5 \ + > --subsample-seed 314159 \ + > --output "$TMP/filtered.fasta" + ERROR: Asked to provide at most 5 sequences, but there are 10 groups. + [1] + $ rm -f "$TMP/filtered.fasta" + +Use probabilistic subsampling to handle the case when there are more available groups than requested sequences. + + $ ${AUGUR} filter \ + > --sequences filter/sequences.fasta \ + > --metadata filter/metadata.tsv \ + > --min-date 2012 \ + > --group-by country year month \ + > --subsample-max-sequences 5 \ + > --subsample-seed 314159 \ + > --probabilistic-sampling \ + > --output "$TMP/filtered.fasta" > /dev/null + $ rm -f "$TMP/filtered.fasta" diff --git a/tests/functional/filter/metadata.tsv b/tests/functional/filter/metadata.tsv new file mode 100644 index 000000000..319d519b6 --- /dev/null +++ b/tests/functional/filter/metadata.tsv @@ -0,0 +1,13 @@ +strain virus accession date region country division city db segment authors url title journal paper_url +PAN/CDC_259359_V1_V3/2015 zika KX156774 2015-12-18 North America Panama Panama Panama genbank genome Shabman et al https://www.ncbi.nlm.nih.gov/nuccore/KX156774 Direct Submission Submitted (29-APR-2016) J. Craig Venter Institute, 9704 Medical Center Drive, Rockville, MD 20850, USA https://www.ncbi.nlm.nih.gov/pubmed/ +COL/FLR_00024/2015 zika MF574569 2015-12-XX South America Colombia Colombia Colombia genbank genome Pickett et al https://www.ncbi.nlm.nih.gov/nuccore/MF574569 Direct Submission Submitted (28-JUL-2017) J. Craig Venter Institute, 9704 Medical Center Drive, Rockville, MD 20850, USA https://www.ncbi.nlm.nih.gov/pubmed/ +PRVABC59 zika KU501215 2015-12-XX North America Puerto Rico Puerto Rico Puerto Rico genbank genome Lanciotti et al https://www.ncbi.nlm.nih.gov/nuccore/KU501215 Phylogeny of Zika Virus in Western Hemisphere, 2015 Emerging Infect. Dis. 22 (5), 933-935 (2016) https://www.ncbi.nlm.nih.gov/pubmed/27088323 +COL/FLR_00008/2015 zika MF574562 2015-12-XX South America Colombia Colombia Colombia genbank genome Pickett et al https://www.ncbi.nlm.nih.gov/nuccore/MF574562 Direct Submission Submitted (28-JUL-2017) J. Craig Venter Institute, 9704 Medical Center Drive, Rockville, MD 20850, USA https://www.ncbi.nlm.nih.gov/pubmed/ +Colombia/2016/ZC204Se zika KY317939 2016-01-06 South America Colombia Colombia Colombia genbank genome Quick et al https://www.ncbi.nlm.nih.gov/nuccore/KY317939 Multiplex PCR method for MinION and Illumina sequencing of Zika and other virus genomes directly from clinical samples Nat Protoc 12 (6), 1261-1276 (2017) https://www.ncbi.nlm.nih.gov/pubmed/28538739 +ZKC2/2016 zika KX253996 2016-02-16 Oceania American Samoa American Samoa American Samoa genbank genome Wu et al https://www.ncbi.nlm.nih.gov/nuccore/KX253996 Direct Submission Submitted (18-MAY-2016) Center for Diseases Control and Prevention of Guangdong Province; National Institute of Viral Disease Control and Prevention, China https://www.ncbi.nlm.nih.gov/pubmed/ +VEN/UF_1/2016 zika KX702400 2016-03-25 South America Venezuela Venezuela Venezuela genbank genome Blohm et al https://www.ncbi.nlm.nih.gov/nuccore/KX702400 Complete Genome Sequences of Identical Zika virus Isolates in a Nursing Mother and Her Infant Genome Announc 5 (17), e00231-17 (2017) https://www.ncbi.nlm.nih.gov/pubmed/28450510 +DOM/2016/BB_0059 zika KY785425 2016-04-04 North America Dominican Republic Dominican Republic Dominican Republic genbank genome Metsky et al https://www.ncbi.nlm.nih.gov/nuccore/KY785425 Zika virus evolution and spread in the Americas Nature 546 (7658), 411-415 (2017) https://www.ncbi.nlm.nih.gov/pubmed/28538734 +BRA/2016/FC_6706 zika KY785433 2016-04-08 South America Brazil Brazil Brazil genbank genome Metsky et al https://www.ncbi.nlm.nih.gov/nuccore/KY785433 Zika virus evolution and spread in the Americas Nature 546 (7658), 411-415 (2017) https://www.ncbi.nlm.nih.gov/pubmed/28538734 +DOM/2016/BB_0183 zika KY785420 2016-04-18 North America Dominican Republic Dominican Republic Dominican Republic genbank genome Metsky et al https://www.ncbi.nlm.nih.gov/nuccore/KY785420 Zika virus evolution and spread in the Americas Nature 546 (7658), 411-415 (2017) https://www.ncbi.nlm.nih.gov/pubmed/28538734 +EcEs062_16 zika KX879603 2016-04-XX South America Ecuador Ecuador Ecuador genbank genome Marquez et al https://www.ncbi.nlm.nih.gov/nuccore/KX879603 First Complete Genome Sequences of Zika Virus Isolated from Febrile Patient Sera in Ecuador Genome Announc 5 (8), e01673-16 (2017) https://www.ncbi.nlm.nih.gov/pubmed/28232448 +HND/2016/HU_ME59 zika KY785418 2016-05-13 North America Honduras Honduras Honduras genbank genome Metsky et al https://www.ncbi.nlm.nih.gov/nuccore/KY785418 Zika virus evolution and spread in the Americas Nature 546 (7658), 411-415 (2017) https://www.ncbi.nlm.nih.gov/pubmed/28538734 diff --git a/tests/functional/filter/sequences.fasta b/tests/functional/filter/sequences.fasta new file mode 100644 index 000000000..3e37aa57f --- /dev/null +++ b/tests/functional/filter/sequences.fasta @@ -0,0 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