diff --git a/sourmash_lib/VERSION b/sourmash_lib/VERSION index 82d45615df..997bba2390 100644 --- a/sourmash_lib/VERSION +++ b/sourmash_lib/VERSION @@ -1 +1 @@ -2.0.0a3 +2.0.0a4 diff --git a/sourmash_lib/__init__.py b/sourmash_lib/__init__.py index dbaabaad6a..c7e1e90f1a 100644 --- a/sourmash_lib/__init__.py +++ b/sourmash_lib/__init__.py @@ -3,8 +3,6 @@ An implementation of a MinHash bottom sketch, applied to k-mers in DNA. """ from __future__ import print_function -import re -import math import os from ._minhash import (MinHash, get_minhash_default_seed, get_minhash_max_hash) diff --git a/sourmash_lib/__main__.py b/sourmash_lib/__main__.py index e2f54632f5..492ad2851a 100644 --- a/sourmash_lib/__main__.py +++ b/sourmash_lib/__main__.py @@ -5,7 +5,7 @@ import sys import argparse -from .logging import notify, error, set_quiet +from .logging import error, set_quiet from .commands import (categorize, compare, compute, dump, import_csv, gather, index, sbt_combine, search, diff --git a/sourmash_lib/commands.py b/sourmash_lib/commands.py index 63f439fbe3..5129f1d5fa 100644 --- a/sourmash_lib/commands.py +++ b/sourmash_lib/commands.py @@ -5,7 +5,6 @@ import os import os.path import sys -from collections import namedtuple import random import screed @@ -13,7 +12,6 @@ from . import signature as sig from . import sourmash_args from .logging import notify, error, print_results, set_quiet -from .search import format_bp from .sourmash_args import DEFAULT_LOAD_K DEFAULT_COMPUTE_K = '21,31,51' @@ -252,7 +250,6 @@ def save_siglist(siglist, output_fp, filename=None): elif args.name_from_first: name = record.name - s = record.sequence add_seq(Elist, record.sequence, args.input_is_protein, args.check_sequence) notify('') @@ -424,7 +421,6 @@ def plot(args): import matplotlib as mpl mpl.use('Agg') import numpy - import scipy import pylab import scipy.cluster.hierarchy as sch from . import fig as sourmash_fig @@ -885,7 +881,7 @@ def categorize(args): def gather(args): - from .search import gather_databases, GatherResult, format_bp + from .search import gather_databases, format_bp parser = argparse.ArgumentParser() parser.add_argument('query', help='query signature') @@ -907,6 +903,7 @@ def gather(args): help='suppress non-error output') parser.add_argument('--ignore-abundance', action='store_true', help='do NOT use k-mer abundances if present') + parser.add_argument('-d', '--debug', action='store_true') sourmash_args.add_ksize_arg(parser, DEFAULT_LOAD_K) sourmash_args.add_moltype_args(parser) @@ -1017,7 +1014,7 @@ def gather(args): def watch(args): "Build a signature from raw FASTA/FASTQ coming in on stdin, search." - from sourmash_lib.sbtmh import search_minhashes, SearchMinHashesFindBest + from sourmash_lib.sbtmh import SearchMinHashesFindBest parser = argparse.ArgumentParser() parser.add_argument('sbt_name', help='name of SBT to search') diff --git a/sourmash_lib/fig.py b/sourmash_lib/fig.py index f920b8ab19..74c0a7d5d0 100644 --- a/sourmash_lib/fig.py +++ b/sourmash_lib/fig.py @@ -5,7 +5,6 @@ from .logging import error, notify try: import numpy - import scipy import pylab import scipy.cluster.hierarchy as sch except (RuntimeError, ImportError): diff --git a/sourmash_lib/search.py b/sourmash_lib/search.py index cc3678f3d3..9f5f81f972 100644 --- a/sourmash_lib/search.py +++ b/sourmash_lib/search.py @@ -7,7 +7,7 @@ from .signature import SourmashSignature from .sbtmh import search_minhashes, search_minhashes_containment from .sbtmh import SearchMinHashesFindBest - +from ._minhash import get_max_hash_for_scaled @@ -89,32 +89,34 @@ def gather_databases(query, databases, threshold_bp, ignore_abundance): orig_query = query orig_mins = orig_query.minhash.get_hashes() + orig_abunds = { k: 1 for k in orig_mins } + # do we pay attention to abundances?o if orig_query.minhash.track_abundance and not ignore_abundance: orig_abunds = orig_query.minhash.get_mins(with_abundance=True) - else: - if orig_query.minhash.track_abundance and ignore_abundance: - notify('** ignoring abundance') - orig_abunds = { k: 1 for k in orig_query.minhash.get_mins(with_abundance=False) } - sum_abunds = sum(orig_abunds.values()) # calculate the band size/resolution R for the genome R_metagenome = orig_query.minhash.scaled # define a function to do a 'best' search and get only top match. def find_best(dblist, query): + # CTB: could optimize by sharing scores across searches, i.e. + # a good early score truncates later searches. + results = [] for (sbt_or_siglist, filename, is_sbt) in dblist: - search_fn = SearchMinHashesFindBestIgnoreMaxHash().search - + # search a tree if is_sbt: tree = sbt_or_siglist + search_fn = SearchMinHashesFindBestIgnoreMaxHash().search for leaf in tree.find(search_fn, query, 0.0): leaf_e = leaf.data.minhash similarity = query.minhash.similarity_ignore_maxhash(leaf_e) if similarity > 0.0: results.append((similarity, leaf.data)) + + # search a signature else: for ss in sbt_or_siglist: similarity = query.minhash.similarity_ignore_maxhash(ss.minhash) @@ -131,17 +133,18 @@ def find_best(dblist, query): # define a function to build new signature object from set of mins - def build_new_signature(mins, template_sig): + def build_new_signature(mins, template_sig, scaled=None): e = template_sig.minhash.copy_and_clear() e.add_many(mins) + if scaled: + e = e.downsample_scaled(scaled) return SourmashSignature(e) # construct a new query that doesn't have the max_hash attribute set. new_mins = query.minhash.get_hashes() query = build_new_signature(new_mins, orig_query) - sum_found = 0. - + R_comparison = 0 while 1: best_similarity, best_leaf, filename = find_best(databases, query) if not best_leaf: # no matches at all! @@ -151,9 +154,7 @@ def build_new_signature(mins, template_sig): query_mins = set(query.minhash.get_hashes()) found_mins = best_leaf.minhash.get_hashes() - # figure out what the resolution of the banding on the genome is, - # based either on an explicit --scaled parameter, or on genome - # cardinality (deprecated) + # figure out what the resolution of the banding on the subject is if not best_leaf.minhash.max_hash: error('Best hash match in sbt_gather has no max_hash') error('Please prepare database of sequences with --scaled') @@ -162,13 +163,16 @@ def build_new_signature(mins, template_sig): R_genome = best_leaf.minhash.scaled # pick the highest R / lowest resolution - R_comparison = max(R_metagenome, R_genome) + R_comparison = max(R_comparison, R_metagenome, R_genome) - # CTB: these could probably be replaced by minhash.downsample_scaled. - new_max_hash = sourmash_lib.MAX_HASH / float(R_comparison) + # eliminate mins under this new resolution. + # (CTB note: this means that if a high scaled/low res signature is + # found early on, resolution will be low from then on.) + new_max_hash = get_max_hash_for_scaled(R_comparison) query_mins = set([ i for i in query_mins if i < new_max_hash ]) found_mins = set([ i for i in found_mins if i < new_max_hash ]) orig_mins = set([ i for i in orig_mins if i < new_max_hash ]) + sum_abunds = sum([ v for (k,v) in orig_abunds.items() if k < new_max_hash ]) # calculate intersection: intersect_mins = query_mins.intersection(found_mins) @@ -186,7 +190,8 @@ def build_new_signature(mins, template_sig): f_orig_query = len(intersect_orig_mins) / float(len(orig_mins)) # calculate fractions wrt second denominator - metagenome size - query_n_mins = len(orig_query.minhash.get_hashes()) + orig_mh = orig_query.minhash.downsample_scaled(R_comparison) + query_n_mins = len(orig_mh) f_unique_to_query = len(intersect_mins) / float(query_n_mins) # calculate scores weighted by abundances @@ -195,6 +200,7 @@ def build_new_signature(mins, template_sig): average_abund = sum((orig_abunds[k] for k in intersect_mins)) \ / len(intersect_mins) + # build a result namedtuple result = GatherResult(intersect_bp=intersect_bp, f_orig_query=f_orig_query, f_match=f_match, @@ -208,7 +214,7 @@ def build_new_signature(mins, template_sig): # construct a new query, minus the previous one. query_mins -= set(found_mins) - query = build_new_signature(query_mins, orig_query) + query = build_new_signature(query_mins, orig_query, R_comparison) weighted_missed = sum((orig_abunds[k] for k in query_mins)) \ / sum_abunds diff --git a/sourmash_lib/signature.py b/sourmash_lib/signature.py index 454dd9392e..77a66922b4 100644 --- a/sourmash_lib/signature.py +++ b/sourmash_lib/signature.py @@ -3,11 +3,9 @@ Save and load MinHash sketches in a JSON format, along with some metadata. """ from __future__ import print_function -import sys import hashlib -import sourmash_lib from . import signature_json -from .logging import notify, error +from .logging import error import io import gzip @@ -239,7 +237,7 @@ def load_one_signature(data, ksize=None, select_moltype=None, raise ValueError("no signatures to load") try: - next_sig = next(sigiter) + next(sigiter) except StopIteration: return first_sig diff --git a/sourmash_lib/signature_json.py b/sourmash_lib/signature_json.py index 47553f09d4..15e9d905f4 100644 --- a/sourmash_lib/signature_json.py +++ b/sourmash_lib/signature_json.py @@ -177,7 +177,6 @@ def load_signatureset_json_iter(data, ksize=None, ignore_md5sum=False, ijson=ijs prefix, event, value = next(parser) assert prefix == '' and event == 'start_array' and value is None - siglist = [] n = 0 while True: try: diff --git a/sourmash_lib/sourmash_args.py b/sourmash_lib/sourmash_args.py index 3d18f09900..f9f396981c 100644 --- a/sourmash_lib/sourmash_args.py +++ b/sourmash_lib/sourmash_args.py @@ -163,9 +163,9 @@ def traverse_find_sigs(dirnames, yield_all_files=False): def filter_compatible_signatures(query, siglist, force=False): - for sig in siglist: - if check_signatures_are_compatible(query, sig): - yield sig + for ss in siglist: + if check_signatures_are_compatible(query, ss): + yield ss else: if not force: raise ValueError("incompatible signature") diff --git a/tests/test-data/GCF_000006945.2-s500.sig b/tests/test-data/GCF_000006945.2-s500.sig new file mode 100644 index 0000000000..291a7cc54a --- /dev/null +++ b/tests/test-data/GCF_000006945.2-s500.sig @@ -0,0 +1 @@ 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\ No newline at end of file diff --git a/tests/test_sourmash.py b/tests/test_sourmash.py index b735b9cd48..52ecb5e424 100644 --- a/tests/test_sourmash.py +++ b/tests/test_sourmash.py @@ -2588,6 +2588,25 @@ def test_gather_metagenome_downsample(): '4.1 Mbp 4.4% 17.1%' in out)) +def test_gather_query_downsample(): + with utils.TempDirectory() as location: + testdata_glob = utils.get_test_data('gather/GCF*.sig') + testdata_sigs = glob.glob(testdata_glob) + + query_sig = utils.get_test_data('GCF_000006945.2-s500.sig') + + status, out, err = utils.runscript('sourmash', + ['gather', '-k', '31', + query_sig] + testdata_sigs, + in_directory=location) + + print(out) + print(err) + + assert 'loaded 12 signatures' in err + assert '4.9 Mbp 100.0% 100.0% NC_003197.2' in out + + def test_gather_save_matches(): with utils.TempDirectory() as location: testdata_glob = utils.get_test_data('gather/GCF*.sig')