From c1ca50a341589b8825e3c6fe7fbc85dfb90ee346 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Wed, 9 Oct 2024 17:55:58 +0100 Subject: [PATCH 01/39] Expose save partial query to CLI --- PopPUNK/assign.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/PopPUNK/assign.py b/PopPUNK/assign.py index ec162121..0ea8ea57 100644 --- a/PopPUNK/assign.py +++ b/PopPUNK/assign.py @@ -50,6 +50,7 @@ def get_options(): oGroup.add_argument('--update-db', help='Update reference database with query sequences', default=False, action='store_true') oGroup.add_argument('--overwrite', help='Overwrite any existing database files', default=False, action='store_true') oGroup.add_argument('--graph-weights', help='Save within-strain Euclidean distances into the graph', default=False, action='store_true') + oGroup.add_argument('--save-partial-query-graph', help='Save the network components to which queries are assigned', default=False, action='store_true') # comparison metrics kmerGroup = parser.add_argument_group('Kmer comparison options') @@ -234,7 +235,7 @@ def main(): args.gpu_dist, args.gpu_graph, args.deviceid, - save_partial_query_graph=False) + args.save_partial_query_graph) sys.stderr.write("\nDone\n") From 395c2b9779c49eebd6bc795b86b932e45adba5f2 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Wed, 9 Oct 2024 17:58:34 +0100 Subject: [PATCH 02/39] Add test for --save-partial-query-graph --- test/run_test.py | 1 + 1 file changed, 1 insertion(+) diff --git a/test/run_test.py b/test/run_test.py index ed4e74eb..6379acae 100755 --- a/test/run_test.py +++ b/test/run_test.py @@ -129,6 +129,7 @@ subprocess.run(python_cmd + " ../poppunk-runner.py --create-db --r-files rfile12.txt --output batch12 --overwrite", shell=True, check=True) subprocess.run(python_cmd + " ../poppunk-runner.py --fit-model bgmm --D 2 --ref-db batch12 --overwrite", shell=True, check=True) subprocess.run(python_cmd + " ../poppunk_assign-runner.py --db batch12 --query rfile3.txt --output batch3 --external-clustering batch12_external_clusters.csv --overwrite", shell=True, check=True) +subprocess.run(python_cmd + " ../poppunk_assign-runner.py --db batch12 --query rfile3.txt --output batch3 --external-clustering batch12_external_clusters.csv --save-partial-query-graph --overwrite", shell=True, check=True) subprocess.run(python_cmd + " ../poppunk_visualise-runner.py --ref-db batch12 --query-db batch3 --output batch123_viz --external-clustering batch12_external_clusters.csv --previous-query-clustering batch3/batch3_external_clusters.csv --cytoscape --rapidnj rapidnj --network-file ./batch12/batch12_graph.gt --overwrite", shell=True, check=True) # citations From 7982406db7f6e6dd56cdab1e84c24c5dbcc6bb69 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Wed, 9 Oct 2024 21:51:43 +0100 Subject: [PATCH 03/39] Update beebop tests --- test/batch12_external_clusters.csv | 18 ++++++++++++++++++ test/rfile12.txt | 23 +++++++++++++++++------ test/rfile3.txt | 7 ++++--- test/run_test.py | 6 +++--- 4 files changed, 42 insertions(+), 12 deletions(-) create mode 100644 test/batch12_external_clusters.csv diff --git a/test/batch12_external_clusters.csv b/test/batch12_external_clusters.csv new file mode 100644 index 00000000..01b480b3 --- /dev/null +++ b/test/batch12_external_clusters.csv @@ -0,0 +1,18 @@ +Taxon,Cluster +19183_4#67,CLUSTER1 +12754_5#55,CLUSTER1 +12754_5#57,CLUSTER1 +12673_8#34,CLUSTER1 +12754_5#71,CLUSTER1 +19183_4#69,CLUSTER1 +12754_4#85,CLUSTER1 +19183_4#66,CLUSTER1 +12754_4#89,CLUSTER2 +19183_4#55,CLUSTER2 +12754_5#73,CLUSTER3 +12754_4#79,CLUSTER3 +19183_4#63,CLUSTER4 +19183_4#59,CLUSTER5 +19183_4#48,CLUSTER6 +12754_5#37,CLUSTER7 +12754_4#71,CLUSTER8 diff --git a/test/rfile12.txt b/test/rfile12.txt index e4f63584..51f99d88 100644 --- a/test/rfile12.txt +++ b/test/rfile12.txt @@ -1,6 +1,17 @@ -7 12673_8#24.contigs_velvet.fa -1 12673_8#34.contigs_velvet.fa -2 12673_8#43.contigs_velvet.fa -6 12754_4#79.contigs_velvet.fa -4 12754_4#85.contigs_velvet.fa -5 12754_4#89.contigs_velvet.fa +12754_5#73 12754_5#73.contigs_velvet.fa +12754_4#79 12754_4#79.contigs_velvet.fa +12754_4#71 12754_4#71.contigs_velvet.fa +19183_4#55 19183_4#55.contigs_velvet.fa +19183_4#59 19183_4#59.contigs_velvet.fa +12754_4#89 12754_4#89.contigs_velvet.fa +19183_4#48 19183_4#48.contigs_velvet.fa +12754_5#37 12754_5#37.contigs_velvet.fa +19183_4#63 19183_4#63.contigs_velvet.fa +12754_5#71 12754_5#71.contigs_velvet.fa +19183_4#67 19183_4#67.contigs_velvet.fa +19183_4#69 19183_4#69.contigs_velvet.fa +12754_5#55 12754_5#55.contigs_velvet.fa +12754_4#85 12754_4#85.contigs_velvet.fa +12673_8#34 12673_8#34.contigs_velvet.fa +19183_4#66 19183_4#66.contigs_velvet.fa +12754_5#57 12754_5#57.contigs_velvet.fa diff --git a/test/rfile3.txt b/test/rfile3.txt index 23104358..2a5f859d 100644 --- a/test/rfile3.txt +++ b/test/rfile3.txt @@ -1,3 +1,4 @@ -8 12754_5#73.contigs_velvet.fa -3 12754_5#78.contigs_velvet.fa -9 12754_5#71.contigs_velvet.fa +12754_5#71 12754_5#71.contigs_velvet.fa +12754_5#55 12754_5#55.contigs_velvet.fa +12754_5#16 12754_5#16.contigs_velvet.fa +12754_5#88 12754_5#88.contigs_velvet.fa diff --git a/test/run_test.py b/test/run_test.py index 6379acae..fe496b74 100755 --- a/test/run_test.py +++ b/test/run_test.py @@ -126,9 +126,9 @@ sys.exit(1) # beebop test -subprocess.run(python_cmd + " ../poppunk-runner.py --create-db --r-files rfile12.txt --output batch12 --overwrite", shell=True, check=True) -subprocess.run(python_cmd + " ../poppunk-runner.py --fit-model bgmm --D 2 --ref-db batch12 --overwrite", shell=True, check=True) -subprocess.run(python_cmd + " ../poppunk_assign-runner.py --db batch12 --query rfile3.txt --output batch3 --external-clustering batch12_external_clusters.csv --overwrite", shell=True, check=True) +subprocess.run(python_cmd + " ../poppunk-runner.py --create-db --r-files rfile12.txt --min-k 13 --k-step 3 --output batch12 --overwrite", shell=True, check=True) +subprocess.run(python_cmd + " ../poppunk-runner.py --fit-model dbscan --ref-db batch12 --output batch12 --overwrite", shell=True, check=True) +subprocess.run(python_cmd + " ../poppunk-runner.py --fit-model refine --ref-db batch12 --output batch12 --overwrite", shell=True, check=True) subprocess.run(python_cmd + " ../poppunk_assign-runner.py --db batch12 --query rfile3.txt --output batch3 --external-clustering batch12_external_clusters.csv --save-partial-query-graph --overwrite", shell=True, check=True) subprocess.run(python_cmd + " ../poppunk_visualise-runner.py --ref-db batch12 --query-db batch3 --output batch123_viz --external-clustering batch12_external_clusters.csv --previous-query-clustering batch3/batch3_external_clusters.csv --cytoscape --rapidnj rapidnj --network-file ./batch12/batch12_graph.gt --overwrite", shell=True, check=True) From 35fc89d70e6cc1def6fa5c304e767d75fe719cf7 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Wed, 9 Oct 2024 22:26:05 +0100 Subject: [PATCH 04/39] Update update tests --- test/rfile1.txt | 13 ++++++++++--- test/rfile2.txt | 10 +++++++--- 2 files changed, 17 insertions(+), 6 deletions(-) diff --git a/test/rfile1.txt b/test/rfile1.txt index 4f388da2..3dbc8d77 100644 --- a/test/rfile1.txt +++ b/test/rfile1.txt @@ -1,3 +1,10 @@ -7 12673_8#24.contigs_velvet.fa -1 12673_8#34.contigs_velvet.fa -2 12673_8#43.contigs_velvet.fa +12754_5#73 12754_5#73.contigs_velvet.fa +12754_4#79 12754_4#79.contigs_velvet.fa +12754_4#71 12754_4#71.contigs_velvet.fa +19183_4#55 19183_4#55.contigs_velvet.fa +19183_4#59 19183_4#59.contigs_velvet.fa +12754_4#89 12754_4#89.contigs_velvet.fa +19183_4#48 19183_4#48.contigs_velvet.fa +12754_5#37 12754_5#37.contigs_velvet.fa +19183_4#63 19183_4#63.contigs_velvet.fa +12754_5#71 12754_5#71.contigs_velvet.fa diff --git a/test/rfile2.txt b/test/rfile2.txt index 5f6e9a24..00f4f494 100644 --- a/test/rfile2.txt +++ b/test/rfile2.txt @@ -1,3 +1,7 @@ -6 12754_4#79.contigs_velvet.fa -4 12754_4#85.contigs_velvet.fa -5 12754_4#89.contigs_velvet.fa +19183_4#67 19183_4#67.contigs_velvet.fa +19183_4#69 19183_4#69.contigs_velvet.fa +12754_5#55 12754_5#55.contigs_velvet.fa +12754_4#85 12754_4#85.contigs_velvet.fa +12673_8#34 12673_8#34.contigs_velvet.fa +19183_4#66 19183_4#66.contigs_velvet.fa +12754_5#57 12754_5#57.contigs_velvet.fa From 9feb957b74bd6a0c2f5511312cea3a44506754ac Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Thu, 10 Oct 2024 06:40:30 +0100 Subject: [PATCH 05/39] Update test update files --- test/rfile3.txt | 2 - test/test-update.py | 118 ++++++++++++++++++++++---------------------- 2 files changed, 59 insertions(+), 61 deletions(-) diff --git a/test/rfile3.txt b/test/rfile3.txt index 2a5f859d..ff9e0673 100644 --- a/test/rfile3.txt +++ b/test/rfile3.txt @@ -1,4 +1,2 @@ -12754_5#71 12754_5#71.contigs_velvet.fa -12754_5#55 12754_5#55.contigs_velvet.fa 12754_5#16 12754_5#16.contigs_velvet.fa 12754_5#88 12754_5#88.contigs_velvet.fa diff --git a/test/test-update.py b/test/test-update.py index df8dbedc..74067ebf 100755 --- a/test/test-update.py +++ b/test/test-update.py @@ -65,62 +65,62 @@ def old_get_seq_tuples(rows,cols): for lineage_option_string in [" "," --count-unique-distances ", " --reciprocal-only "," --count-unique-distances --reciprocal-only "]: - if lineage_option_string != " ": - print("\n*** Now running tests with lineage option" + lineage_option_string + "***\n") - - # Check distances after one query - - # Check that order is the same after doing 1 + 2 with --update-db, as doing all of 1 + 2 together - subprocess.run(python_cmd + " ../poppunk-runner.py --create-db --r-files rfile12.txt --output batch12 --overwrite", shell=True, check=True) - subprocess.run(python_cmd + " ../poppunk-runner.py --fit-model lineage --ref-db batch12 --ranks 1,2 --overwrite" + lineage_option_string,shell=True, check=True) - print(" ../poppunk-runner.py --fit-model lineage --ref-db batch12 --ranks 1,2 --overwrite\n\n") - subprocess.run(python_cmd + " ../poppunk-runner.py --create-db --r-files rfile1.txt --output batch1 --overwrite", shell=True, check=True) - subprocess.run(python_cmd + " ../poppunk-runner.py --fit-model lineage --ref-db batch1 --ranks 1,2 --overwrite" + lineage_option_string, shell=True, check=True) - print("../poppunk-runner.py --fit-model lineage --ref-db batch1 --ranks 1,2 --overwrite\n\n") - subprocess.run(python_cmd + " ../poppunk_assign-runner.py --db batch1 --query rfile2.txt --output batch2 --update-db --overwrite --max-a-dist 1", shell=True, check=True) - print(" ../poppunk_assign-runner.py --db batch1 --query rfile2.txt --output batch2 --update-db --overwrite --max-a-dist 1\n\n") - - # Load updated distance order - with open("batch2/batch2.dists.pkl", 'rb') as pickle_file: - rlist2, qlist, self = pickle.load(pickle_file) - -# Check sparse distances after one query - with open("batch12/batch12.dists.pkl", 'rb') as pickle_file: - rlist1, qlist1, self = pickle.load(pickle_file) - S1 = scipy.sparse.load_npz("batch12/batch12_rank_2_fit.npz") - S2 = scipy.sparse.load_npz("batch2/batch2_rank_2_fit.npz") - sys.stderr.write("Comparing sparse matrices at rank 2 after first query calculated with options " + lineage_option_string + "\n") - compare_sparse_matrices(S1,S2,rlist1,rlist2) - - # Check rank 1 - S3 = scipy.sparse.load_npz("batch12/batch12_rank_1_fit.npz") - S4 = scipy.sparse.load_npz("batch2/batch2_rank_1_fit.npz") - sys.stderr.write("Comparing sparse matrices at rank 1 after first query calculated with options " + lineage_option_string + "\n") - compare_sparse_matrices(S3,S4,rlist1,rlist2) - - # Check distances after second query - - # Check that order is the same after doing 1 + 2 + 3 with --update-db, as doing all of 1 + 2 + 3 together - subprocess.run(python_cmd + " ../poppunk-runner.py --create-db --r-files rfile123.txt --output batch123 --overwrite", shell=True, check=True) - subprocess.run(python_cmd + " ../poppunk-runner.py --fit-model lineage --ref-db batch123 --ranks 1,2 --overwrite" + lineage_option_string, shell=True, check=True) - print("../poppunk-runner.py --fit-model lineage --ref-db batch123 --ranks 1,2 --overwrite\n\n") - subprocess.run(python_cmd + " ../poppunk_assign-runner.py --db batch2 --query rfile3.txt --output batch3 --update-db --overwrite", shell=True, check=True) - print(python_cmd + " ../poppunk_assign-runner.py --db batch2 --query rfile3.txt --output batch3 --update-db --overwrite\n\n") - - # Load updated distances order - with open("batch3/batch3.dists.pkl", 'rb') as pickle_file: - rlist4, qlist, self = pickle.load(pickle_file) - - # Check sparse distances after second query - with open("batch123/batch123.dists.pkl", 'rb') as pickle_file: - rlist3, qlist, self = pickle.load(pickle_file) - S5 = scipy.sparse.load_npz("batch123/batch123_rank_2_fit.npz") - S6 = scipy.sparse.load_npz("batch3/batch3_rank_2_fit.npz") - sys.stderr.write("Comparing sparse matrices at rank 2 after second query calculated with options " + lineage_option_string + "\n") - compare_sparse_matrices(S5,S6,rlist3,rlist4) - - # Check rank 1 - S7 = scipy.sparse.load_npz("batch123/batch123_rank_1_fit.npz") - S8 = scipy.sparse.load_npz("batch3/batch3_rank_1_fit.npz") - sys.stderr.write("Comparing sparse matrices at rank 1 after second query calculated with options " + lineage_option_string + "\n") - compare_sparse_matrices(S7,S8,rlist3,rlist4) + if lineage_option_string != " ": + print("\n*** Now running tests with lineage option" + lineage_option_string + "***\n") + + # Check distances after one query + + # Check that order is the same after doing 1 + 2 with --update-db, as doing all of 1 + 2 together + subprocess.run(python_cmd + " ../poppunk-runner.py --create-db --r-files rfile12.txt --output batch12 --overwrite", shell=True, check=True) + subprocess.run(python_cmd + " ../poppunk-runner.py --fit-model lineage --ref-db batch12 --ranks 1,2 --overwrite" + lineage_option_string,shell=True, check=True) + print(" ../poppunk-runner.py --fit-model lineage --ref-db batch12 --ranks 1,2 --overwrite\n\n") + subprocess.run(python_cmd + " ../poppunk-runner.py --create-db --r-files rfile1.txt --output batch1 --overwrite", shell=True, check=True) + subprocess.run(python_cmd + " ../poppunk-runner.py --fit-model lineage --ref-db batch1 --ranks 1,2 --overwrite" + lineage_option_string, shell=True, check=True) + print("../poppunk-runner.py --fit-model lineage --ref-db batch1 --ranks 1,2 --overwrite\n\n") + subprocess.run(python_cmd + " ../poppunk_assign-runner.py --db batch1 --query rfile2.txt --output batch2 --update-db --overwrite --max-a-dist 1", shell=True, check=True) + print(" ../poppunk_assign-runner.py --db batch1 --query rfile2.txt --output batch2 --update-db --overwrite --max-a-dist 1\n\n") + + # Load updated distance order + with open("batch2/batch2.dists.pkl", 'rb') as pickle_file: + rlist2, qlist, self = pickle.load(pickle_file) + + # Check sparse distances after one query + with open("batch12/batch12.dists.pkl", 'rb') as pickle_file: + rlist1, qlist1, self = pickle.load(pickle_file) + S1 = scipy.sparse.load_npz("batch12/batch12_rank_2_fit.npz") + S2 = scipy.sparse.load_npz("batch2/batch2_rank_2_fit.npz") + sys.stderr.write("Comparing sparse matrices at rank 2 after first query calculated with options " + lineage_option_string + "\n") + compare_sparse_matrices(S1,S2,rlist1,rlist2) + + # Check rank 1 + S3 = scipy.sparse.load_npz("batch12/batch12_rank_1_fit.npz") + S4 = scipy.sparse.load_npz("batch2/batch2_rank_1_fit.npz") + sys.stderr.write("Comparing sparse matrices at rank 1 after first query calculated with options " + lineage_option_string + "\n") + compare_sparse_matrices(S3,S4,rlist1,rlist2) + + # Check distances after second query + + # Check that order is the same after doing 1 + 2 + 3 with --update-db, as doing all of 1 + 2 + 3 together + subprocess.run(python_cmd + " ../poppunk-runner.py --create-db --r-files rfile123.txt --output batch123 --overwrite", shell=True, check=True) + subprocess.run(python_cmd + " ../poppunk-runner.py --fit-model lineage --ref-db batch123 --ranks 1,2 --overwrite" + lineage_option_string, shell=True, check=True) + print("../poppunk-runner.py --fit-model lineage --ref-db batch123 --ranks 1,2 --overwrite\n\n") + subprocess.run(python_cmd + " ../poppunk_assign-runner.py --db batch2 --query rfile3.txt --output batch3 --update-db --overwrite", shell=True, check=True) + print(python_cmd + " ../poppunk_assign-runner.py --db batch2 --query rfile3.txt --output batch3 --update-db --overwrite\n\n") + + # Load updated distances order + with open("batch3/batch3.dists.pkl", 'rb') as pickle_file: + rlist4, qlist, self = pickle.load(pickle_file) + + # Check sparse distances after second query + with open("batch123/batch123.dists.pkl", 'rb') as pickle_file: + rlist3, qlist, self = pickle.load(pickle_file) + S5 = scipy.sparse.load_npz("batch123/batch123_rank_2_fit.npz") + S6 = scipy.sparse.load_npz("batch3/batch3_rank_2_fit.npz") + sys.stderr.write("Comparing sparse matrices at rank 2 after second query calculated with options " + lineage_option_string + "\n") + compare_sparse_matrices(S5,S6,rlist3,rlist4) + + # Check rank 1 + S7 = scipy.sparse.load_npz("batch123/batch123_rank_1_fit.npz") + S8 = scipy.sparse.load_npz("batch3/batch3_rank_1_fit.npz") + sys.stderr.write("Comparing sparse matrices at rank 1 after second query calculated with options " + lineage_option_string + "\n") + compare_sparse_matrices(S7,S8,rlist3,rlist4) From 1079feaaf730da1da69ecdbaa2bef3e8861276c9 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Thu, 10 Oct 2024 07:39:08 +0100 Subject: [PATCH 06/39] Correct update tests --- test/rfile123.txt | 28 +++++++++++++++++++--------- test/test-update.py | 13 +++++++------ 2 files changed, 26 insertions(+), 15 deletions(-) diff --git a/test/rfile123.txt b/test/rfile123.txt index af5a0ead..eac6e460 100644 --- a/test/rfile123.txt +++ b/test/rfile123.txt @@ -1,9 +1,19 @@ -7 12673_8#24.contigs_velvet.fa -1 12673_8#34.contigs_velvet.fa -2 12673_8#43.contigs_velvet.fa -6 12754_4#79.contigs_velvet.fa -4 12754_4#85.contigs_velvet.fa -5 12754_4#89.contigs_velvet.fa -8 12754_5#73.contigs_velvet.fa -3 12754_5#78.contigs_velvet.fa -9 12754_5#71.contigs_velvet.fa +12754_5#73 12754_5#73.contigs_velvet.fa +12754_4#79 12754_4#79.contigs_velvet.fa +12754_4#71 12754_4#71.contigs_velvet.fa +19183_4#55 19183_4#55.contigs_velvet.fa +19183_4#59 19183_4#59.contigs_velvet.fa +12754_4#89 12754_4#89.contigs_velvet.fa +19183_4#48 19183_4#48.contigs_velvet.fa +12754_5#37 12754_5#37.contigs_velvet.fa +19183_4#63 19183_4#63.contigs_velvet.fa +12754_5#71 12754_5#71.contigs_velvet.fa +19183_4#67 19183_4#67.contigs_velvet.fa +19183_4#69 19183_4#69.contigs_velvet.fa +12754_5#55 12754_5#55.contigs_velvet.fa +12754_4#85 12754_4#85.contigs_velvet.fa +12673_8#34 12673_8#34.contigs_velvet.fa +19183_4#66 19183_4#66.contigs_velvet.fa +12754_5#57 12754_5#57.contigs_velvet.fa +12754_5#16 12754_5#16.contigs_velvet.fa +12754_5#88 12754_5#88.contigs_velvet.fa diff --git a/test/test-update.py b/test/test-update.py index 74067ebf..2fb88159 100755 --- a/test/test-update.py +++ b/test/test-update.py @@ -28,12 +28,12 @@ def run_regression(x, y, threshold = 0.99): sys.stderr.write("Distance matrix order failed!\n") sys.exit(1) -def compare_sparse_matrices(d1,d2,r1,r2): +def compare_sparse_matrices(d1,d2,r1,r2,flag): d1_pairs = get_seq_tuples(d1.row,d1.col,r1) d2_pairs = get_seq_tuples(d2.row,d2.col,r2) d1_dists = [] d2_dists = [] - if (len(d1_pairs) != len(d2_pairs)): + if (len(d1_pairs) != len(d2_pairs) and flag == " "): # May not be equal if reciprocal/unique count sys.stderr.write("Distance matrix number of entries differ!\n") print(d1_pairs) print(d2_pairs) @@ -41,6 +41,7 @@ def compare_sparse_matrices(d1,d2,r1,r2): for (pair1,dist1) in zip(d1_pairs,d1.data): for (pair2,dist2) in zip(d2_pairs,d2.data): +# print('Pair1: ' + str(pair1) + ' Dist1: ' + str(dist1) + 'Pair2: ' + str(pair2) + ' Dist2: ' + str(dist2)) if pair1 == pair2: d1_dists.append(dist1) d2_dists.append(dist2) @@ -90,13 +91,13 @@ def old_get_seq_tuples(rows,cols): S1 = scipy.sparse.load_npz("batch12/batch12_rank_2_fit.npz") S2 = scipy.sparse.load_npz("batch2/batch2_rank_2_fit.npz") sys.stderr.write("Comparing sparse matrices at rank 2 after first query calculated with options " + lineage_option_string + "\n") - compare_sparse_matrices(S1,S2,rlist1,rlist2) + compare_sparse_matrices(S1,S2,rlist1,rlist2,lineage_option_string) # Check rank 1 S3 = scipy.sparse.load_npz("batch12/batch12_rank_1_fit.npz") S4 = scipy.sparse.load_npz("batch2/batch2_rank_1_fit.npz") sys.stderr.write("Comparing sparse matrices at rank 1 after first query calculated with options " + lineage_option_string + "\n") - compare_sparse_matrices(S3,S4,rlist1,rlist2) + compare_sparse_matrices(S3,S4,rlist1,rlist2,lineage_option_string) # Check distances after second query @@ -117,10 +118,10 @@ def old_get_seq_tuples(rows,cols): S5 = scipy.sparse.load_npz("batch123/batch123_rank_2_fit.npz") S6 = scipy.sparse.load_npz("batch3/batch3_rank_2_fit.npz") sys.stderr.write("Comparing sparse matrices at rank 2 after second query calculated with options " + lineage_option_string + "\n") - compare_sparse_matrices(S5,S6,rlist3,rlist4) + compare_sparse_matrices(S5,S6,rlist3,rlist4,lineage_option_string) # Check rank 1 S7 = scipy.sparse.load_npz("batch123/batch123_rank_1_fit.npz") S8 = scipy.sparse.load_npz("batch3/batch3_rank_1_fit.npz") sys.stderr.write("Comparing sparse matrices at rank 1 after second query calculated with options " + lineage_option_string + "\n") - compare_sparse_matrices(S7,S8,rlist3,rlist4) + compare_sparse_matrices(S7,S8,rlist3,rlist4,lineage_option_string) From decf58c4e73fa96d5d21cdbbb5f121f3a8e463e2 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Thu, 10 Oct 2024 13:23:37 +0100 Subject: [PATCH 07/39] Enable use of partial graphs --- PopPUNK/assign.py | 26 +++++++--- PopPUNK/network.py | 110 ++++++++++++++++++++++++++++++++++--------- PopPUNK/visualise.py | 25 ++++++---- test/run_test.py | 2 +- 4 files changed, 125 insertions(+), 38 deletions(-) diff --git a/PopPUNK/assign.py b/PopPUNK/assign.py index 0ea8ea57..a2fc348f 100644 --- a/PopPUNK/assign.py +++ b/PopPUNK/assign.py @@ -107,6 +107,9 @@ def get_options(): queryingGroup.add_argument('--accessory', help='(with a \'refine\' or \'lineage\' model) ' 'Use an accessory-distance only model for assigning queries ' '[default = False]', default=False, action='store_true') + queryingGroup.add_argument('--use-full-network', help='Use full network rather than reference network for querying [default = False]', + default = False, + action = 'store_true') # processing other = parser.add_argument_group('Other options') @@ -235,7 +238,8 @@ def main(): args.gpu_dist, args.gpu_graph, args.deviceid, - args.save_partial_query_graph) + args.save_partial_query_graph, + args.use_full_network) sys.stderr.write("\nDone\n") @@ -268,7 +272,8 @@ def assign_query(dbFuncs, gpu_dist, gpu_graph, deviceid, - save_partial_query_graph): + save_partial_query_graph, + use_full_network): """Code for assign query mode for CLI""" createDatabaseDir = dbFuncs['createDatabaseDir'] constructDatabase = dbFuncs['constructDatabase'] @@ -317,7 +322,8 @@ def assign_query(dbFuncs, accessory, gpu_dist, gpu_graph, - save_partial_query_graph) + save_partial_query_graph, + use_full_network) return(isolateClustering) def assign_query_hdf5(dbFuncs, @@ -342,7 +348,8 @@ def assign_query_hdf5(dbFuncs, accessory, gpu_dist, gpu_graph, - save_partial_query_graph): + save_partial_query_graph, + use_full_network): """Code for assign query mode taking hdf5 as input. Written as a separate function so it can be called by web APIs""" # Modules imported here as graph tool is very slow to load (it pulls in all of GTK?) @@ -360,6 +367,7 @@ def assign_query_hdf5(dbFuncs, from .network import get_vertex_list from .network import printExternalClusters from .network import vertex_betweenness + from .network import retain_only_query_clusters from .qc import sketchlibAssemblyQC from .plot import writeClusterCsv @@ -454,7 +462,7 @@ def assign_query_hdf5(dbFuncs, ref_file_name = os.path.join(model_prefix, os.path.basename(model_prefix) + file_extension_string + ".refs") use_ref_graph = \ - os.path.isfile(ref_file_name) and not update_db and model.type != 'lineage' + os.path.isfile(ref_file_name) and not update_db and model.type != 'lineage' and not use_full_network if use_ref_graph: with open(ref_file_name) as refFile: for reference in refFile: @@ -792,12 +800,16 @@ def assign_query_hdf5(dbFuncs, output + "/" + os.path.basename(output) + db_suffix) else: storePickle(rNames, qNames, False, qrDistMat, dists_out) - if save_partial_query_graph and not serial: - if model.type == 'lineage': + if save_partial_query_graph: + genomeNetwork, pruned_isolate_lists = retain_only_query_clusters(genomeNetwork, rNames, qNames, use_gpu = gpu_graph) + if model.type == 'lineage' and not serial: save_network(genomeNetwork[min(model.ranks)], prefix = output, suffix = '_graph', use_gpu = gpu_graph) else: graph_suffix = file_extension_string + '_graph' save_network(genomeNetwork, prefix = output, suffix = graph_suffix, use_gpu = gpu_graph) + with open(f"{output}/{os.path.basename(output)}_query.subset",'w') as pruned_isolate_csv: + for isolate in pruned_isolate_lists: + pruned_isolate_csv.write(isolate + '\n') return(isolateClustering) diff --git a/PopPUNK/network.py b/PopPUNK/network.py index 2568e934..3f347bde 100644 --- a/PopPUNK/network.py +++ b/PopPUNK/network.py @@ -1920,28 +1920,8 @@ def prune_graph(prefix, reflist, samples_to_keep, output_db_name, threads, use_g if os.path.exists(network_fn): network_found = True sys.stderr.write("Loading network from " + network_fn + "\n") - samples_to_keep_set = frozenset(samples_to_keep) G = load_network_file(network_fn, use_gpu = use_gpu) - if use_gpu: - # Identify indices - reference_indices = [i for (i,name) in enumerate(reflist) if name in samples_to_keep_set] - # Generate data frame - G_df = G.view_edge_list() - if 'src' in G_df.columns: - G_df.rename(columns={'src': 'source','dst': 'destination'}, inplace=True) - # Filter data frame - G_new_df = G_df[G_df['source'].isin(reference_indices) & G_df['destination'].isin(reference_indices)] - # Translate network indices to match name order - G_new = translate_network_indices(G_new_df, reference_indices) - else: - reference_vertex = G.new_vertex_property('bool') - for n, vertex in enumerate(G.vertices()): - if reflist[n] in samples_to_keep_set: - reference_vertex[vertex] = True - else: - reference_vertex[vertex] = False - G_new = gt.GraphView(G, vfilt = reference_vertex) - G_new = gt.Graph(G_new, prune = True) + G_new = remove_nodes_from_graph(G, reflist, samples_to_keep, use_gpu) save_network(G_new, prefix = output_db_name, suffix = '_graph', @@ -1949,3 +1929,91 @@ def prune_graph(prefix, reflist, samples_to_keep, output_db_name, threads, use_g use_gpu = use_gpu) if not network_found: sys.stderr.write('No network file found for pruning\n') + +def remove_nodes_from_graph(G,reflist, samples_to_keep, use_gpu): + """Return a modified graph containing only the requested nodes + + Args: + reflist (list) + Ordered list of sequences of database + samples_to_keep (list) + The names of samples to be retained in the graph + use_gpu (bool) + Whether graph is a cugraph or not + [default = False] + + Returns: + G_new (graph) + Pruned graph + """ + samples_to_keep_set = frozenset(samples_to_keep) + if use_gpu: + # Identify indices + reference_indices = [i for (i,name) in enumerate(reflist) if name in samples_to_keep_set] + # Generate data frame + G_df = G.view_edge_list() + if 'src' in G_df.columns: + G_df.rename(columns={'src': 'source','dst': 'destination'}, inplace=True) + # Filter data frame + G_new_df = G_df[G_df['source'].isin(reference_indices) & G_df['destination'].isin(reference_indices)] + # Translate network indices to match name order + G_new = translate_network_indices(G_new_df, reference_indices) + else: + reference_vertex = G.new_vertex_property('bool') + for n, vertex in enumerate(G.vertices()): + if reflist[n] in samples_to_keep_set: + reference_vertex[vertex] = True + else: + reference_vertex[vertex] = False + G_new = gt.GraphView(G, vfilt = reference_vertex) + G_new = gt.Graph(G_new, prune = True) + return G_new + +def retain_only_query_clusters(G, rlist, qlist, use_gpu = False): + """ + Removes all components that do not contain a query sequence. + + Args: + G (graph) + Network of queries linked to reference sequences + rlist (list) + List of reference sequence labels + qlist (list) + List of query sequence labels + use_gpu (bool) + Whether to use GPUs for network construction + + Returns: + G (graph) + The resulting network + pruned_names (list) + The labels of the sequences in the pruned network + """ + num_refs = len(rlist) + components_with_query = [] + combined_names = rlist + qlist + pruned_names = [] + if use_gpu: + sys.stderr.write('Not compatible with GPU networks yet\n') + query_subgraph = G + else: + components = gt.label_components(G)[0].a + for component in components: + subgraph = gt.GraphView(G, vfilt=components == component) + max_node = max([int(v) for v in subgraph.vertices()]) + if max_node >= num_refs: + components_with_query.append(int(component)) + # Create a boolean filter based on the list of component IDs + query_filter = G.new_vertex_property("bool") + for v in G.vertices(): + query_filter[int(v)] = (components[int(v)] in components_with_query) + if query_filter[int(v)]: + pruned_names.append(combined_names[int(v)]) + + # Create a filtered graph with only the specified components + query_subgraph = gt.GraphView(G, vfilt=query_filter) + + # Purge the filtered graph to remove the other components permanently + query_subgraph.purge_vertices() + + return query_subgraph, pruned_names diff --git a/PopPUNK/visualise.py b/PopPUNK/visualise.py index 40ce0fff..1427cba4 100644 --- a/PopPUNK/visualise.py +++ b/PopPUNK/visualise.py @@ -90,6 +90,9 @@ def get_options(): iGroup.add_argument('--display-cluster', help='Column of clustering CSV to use for plotting', default=None) + iGroup.add_argument('--use-partial-query-graph', + help='File listing sequences in partial query graph after assignment', + default=None) # output options oGroup = parser.add_argument_group('Output options') @@ -190,6 +193,7 @@ def generate_visualisations(query_db, mst_distances, overwrite, display_cluster, + use_partial_query_graph, tmp): from .models import loadClusterFit @@ -200,6 +204,7 @@ def generate_visualisations(query_db, from .network import cugraph_to_graph_tool from .network import save_network from .network import sparse_mat_to_network + from .network import remove_nodes_from_graph from .plot import drawMST from .plot import outputsForMicroreact @@ -353,9 +358,10 @@ def generate_visualisations(query_db, # extract subset of distances if requested all_seq = combined_seq - if include_files is not None: + if include_files is not None or use_partial_query_graph is not None: viz_subset = set() - with open(include_files, 'r') as assemblyFiles: + subset_file = include_files if include_files is not None else use_partial_query_graph + with open(subset_file, 'r') as assemblyFiles: for assembly in assemblyFiles: viz_subset.add(assembly.rstrip()) if len(viz_subset.difference(combined_seq)) > 0: @@ -605,20 +611,20 @@ def generate_visualisations(query_db, if gpu_graph: genomeNetwork = cugraph_to_graph_tool(genomeNetwork, isolateNameToLabel(all_seq)) # Hard delete from network to remove samples (mask doesn't work neatly) - if viz_subset is not None: - remove_list = [] - for keep, idx in enumerate(row_slice): - if not keep: - remove_list.append(idx) - genomeNetwork.remove_vertex(remove_list) + if include_files is not None: + genomeNetwork = remove_nodes_from_graph(genomeNetwork, all_seq, viz_subset, use_gpu = gpu_graph) elif rank_fit is not None: genomeNetwork = sparse_mat_to_network(sparse_mat, combined_seq, use_gpu = gpu_graph) else: sys.stderr.write('Cytoscape output requires a network file or lineage rank fit to be provided\n') sys.exit(1) + # If network has been pruned then only use the appropriate subset of names - otherwise use all names + # for full network + node_labels = viz_subset if (use_partial_query_graph is not None or include_files is not None) \ + else combined_seq outputsForCytoscape(genomeNetwork, mst_graph, - combined_seq, + node_labels, isolateClustering, output, info_csv) @@ -663,6 +669,7 @@ def main(): args.mst_distances, args.overwrite, args.display_cluster, + args.use_partial_query_graph, args.tmp) if __name__ == '__main__': diff --git a/test/run_test.py b/test/run_test.py index fe496b74..a1da15cc 100755 --- a/test/run_test.py +++ b/test/run_test.py @@ -130,7 +130,7 @@ subprocess.run(python_cmd + " ../poppunk-runner.py --fit-model dbscan --ref-db batch12 --output batch12 --overwrite", shell=True, check=True) subprocess.run(python_cmd + " ../poppunk-runner.py --fit-model refine --ref-db batch12 --output batch12 --overwrite", shell=True, check=True) subprocess.run(python_cmd + " ../poppunk_assign-runner.py --db batch12 --query rfile3.txt --output batch3 --external-clustering batch12_external_clusters.csv --save-partial-query-graph --overwrite", shell=True, check=True) -subprocess.run(python_cmd + " ../poppunk_visualise-runner.py --ref-db batch12 --query-db batch3 --output batch123_viz --external-clustering batch12_external_clusters.csv --previous-query-clustering batch3/batch3_external_clusters.csv --cytoscape --rapidnj rapidnj --network-file ./batch12/batch12_graph.gt --overwrite", shell=True, check=True) +subprocess.run(python_cmd + " ../poppunk_visualise-runner.py --ref-db batch12 --query-db batch3 --output batch123_viz --external-clustering batch12_external_clusters.csv --previous-query-clustering batch3/batch3_external_clusters.csv --cytoscape --rapidnj rapidnj --network-file ./batch3/batch3_graph.gt --use-partial-query-graph ./batch3/batch3_query.subset --overwrite", shell=True, check=True) # citations sys.stderr.write("Printing citations\n") From 5a14b8dbbe09caf29b15b2c8ae636330dd734947 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Fri, 11 Oct 2024 07:55:04 +0100 Subject: [PATCH 08/39] Fix lineage querying functions --- PopPUNK/models.py | 3 ++- src/extend.cpp | 9 ++++++--- test/test-update.py | 2 -- 3 files changed, 8 insertions(+), 6 deletions(-) diff --git a/PopPUNK/models.py b/PopPUNK/models.py index c103c31e..3b9549e9 100644 --- a/PopPUNK/models.py +++ b/PopPUNK/models.py @@ -1124,7 +1124,7 @@ def __init__(self, outPrefix, ranks, max_search_depth, reciprocal_only, count_un ClusterFit.__init__(self, outPrefix) self.type = 'lineage' self.preprocess = False - self.max_search_depth = max_search_depth + self.max_search_depth = max_search_depth+5 self.nn_dists = None # stores the unprocessed kNN at the maximum search depth self.ranks = [] for rank in sorted(ranks): @@ -1368,6 +1368,7 @@ def extend(self, qqDists, qrDists): qrRect, self.max_search_depth, self.threads) + # Update NN dist associated with model self.__save_sparse__(higher_rank[2], higher_rank[0], higher_rank[1], self.max_search_depth, n_ref + n_query, self.nn_dists.dtype, diff --git a/src/extend.cpp b/src/extend.cpp index c053481d..f96d96d9 100644 --- a/src/extend.cpp +++ b/src/extend.cpp @@ -9,7 +9,7 @@ #include #include #include - +#include const float epsilon = 1E-10; // Get indices where each row starts in the sparse matrix @@ -93,7 +93,7 @@ sparse_coo extend(const sparse_coo &sparse_rr_mat, // This is very similar, but merging two lists as input auto rr_it = rr_ordered_idx.cbegin(); auto qr_it = qr_ordered_idx.cbegin(); - while (qr_it != qr_ordered_idx.cend() && rr_it != rr_ordered_idx.cend()) { + while (qr_it != qr_ordered_idx.cend() || rr_it != rr_ordered_idx.cend()) { // Get the next smallest dist, and corresponding j long j; float dist; @@ -103,7 +103,7 @@ sparse_coo extend(const sparse_coo &sparse_rr_mat, j = *qr_it + nr_samples; dist = qr_dists[*qr_it]; ++qr_it; - } else { + } else if (!(rr_it == rr_ordered_idx.cend())) { if (i < nr_samples) { j = std::get<1>(sparse_rr_mat)[row_start_idx[i] + *rr_it]; } else { @@ -111,6 +111,9 @@ sparse_coo extend(const sparse_coo &sparse_rr_mat, } dist = rr_dists[*rr_it]; ++rr_it; + } else { + printf("Insufficient distances for specified kNN value; try reducing the maximum search depth"); + break; } if (j == i) { diff --git a/test/test-update.py b/test/test-update.py index 2fb88159..067216be 100755 --- a/test/test-update.py +++ b/test/test-update.py @@ -41,12 +41,10 @@ def compare_sparse_matrices(d1,d2,r1,r2,flag): for (pair1,dist1) in zip(d1_pairs,d1.data): for (pair2,dist2) in zip(d2_pairs,d2.data): -# print('Pair1: ' + str(pair1) + ' Dist1: ' + str(dist1) + 'Pair2: ' + str(pair2) + ' Dist2: ' + str(dist2)) if pair1 == pair2: d1_dists.append(dist1) d2_dists.append(dist2) break - run_regression(np.asarray(d1_dists),np.asarray(d2_dists)) def get_seq_tuples(rows,cols,names): From eb2249d4389017d09d299a970ce999498fec4ad6 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Fri, 11 Oct 2024 08:35:37 +0100 Subject: [PATCH 09/39] Add full network variable to lineage assignment call --- PopPUNK/lineages.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/PopPUNK/lineages.py b/PopPUNK/lineages.py index 36afe729..48398864 100755 --- a/PopPUNK/lineages.py +++ b/PopPUNK/lineages.py @@ -392,7 +392,9 @@ def query_db(args): accessory, args.gpu_dist, args.gpu_graph, - save_partial_query_graph = False) + save_partial_query_graph = False, + True # Use full network - does not make sense to use references for lineages + ) # Process clustering query_strains = {} From a97e75b11ecdd73f064baba0802fd63fd643a441 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Fri, 11 Oct 2024 08:51:33 +0100 Subject: [PATCH 10/39] Move parenthesis --- PopPUNK/lineages.py | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/PopPUNK/lineages.py b/PopPUNK/lineages.py index 48398864..d02afb27 100755 --- a/PopPUNK/lineages.py +++ b/PopPUNK/lineages.py @@ -393,8 +393,7 @@ def query_db(args): args.gpu_dist, args.gpu_graph, save_partial_query_graph = False, - True # Use full network - does not make sense to use references for lineages - ) + True) # Use full network - does not make sense to use references for lineages # Process clustering query_strains = {} From df4dfecfab9ae717a56946aa634c24e445ca3d43 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Fri, 11 Oct 2024 09:34:38 +0100 Subject: [PATCH 11/39] Fix positional argument --- PopPUNK/lineages.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PopPUNK/lineages.py b/PopPUNK/lineages.py index d02afb27..8c79aeed 100755 --- a/PopPUNK/lineages.py +++ b/PopPUNK/lineages.py @@ -393,7 +393,7 @@ def query_db(args): args.gpu_dist, args.gpu_graph, save_partial_query_graph = False, - True) # Use full network - does not make sense to use references for lineages + use_full_network = True) # Use full network - does not make sense to use references for lineages # Process clustering query_strains = {} From 52dde860afd694c9a9f474fdd4519eef1ceee700 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Fri, 11 Oct 2024 09:35:12 +0100 Subject: [PATCH 12/39] Enable recalculation of distances for visualisation --- PopPUNK/visualise.py | 214 ++++++++++++++++++++++++++----------------- 1 file changed, 128 insertions(+), 86 deletions(-) diff --git a/PopPUNK/visualise.py b/PopPUNK/visualise.py index 1427cba4..8df9fca6 100644 --- a/PopPUNK/visualise.py +++ b/PopPUNK/visualise.py @@ -84,6 +84,10 @@ def get_options(): 'minimum spanning tree', default=None, type = str) + iGroup.add_argument('--recalculate-distances', + help='Recalculate pairwise distances rather than read them from a file', + default=False, + action = 'store_true') iGroup.add_argument('--network-file', help='Specify a file to use for any graph visualisations', type = str) @@ -194,6 +198,7 @@ def generate_visualisations(query_db, overwrite, display_cluster, use_partial_query_graph, + recalculate_distances, tmp): from .models import loadClusterFit @@ -256,13 +261,13 @@ def generate_visualisations(query_db, sys.stderr.write("Cannot create output directory\n") sys.exit(1) - #******************************# - #* *# - #* Process dense or sparse *# - #* distances *# - #* *# - #******************************# + #*******************************# + #* *# + #* Extract subset of sequences *# + #* *# + #*******************************# + # Identify distance matrix for ordered names if distances is None: if query_db is None: distances = ref_db + "/" + os.path.basename(ref_db) + ".dists" @@ -271,17 +276,42 @@ def generate_visualisations(query_db, else: distances = distances + # Location and properties of reference database + ref_db_loc = ref_db + "/" + os.path.basename(ref_db) + kmers, sketch_sizes, codon_phased = readDBParams(ref_db) + + # extract subset of distances if requested + combined_seq = read_rlist_from_distance_pickle(distances + '.pkl') + all_seq = combined_seq # all_seq is an immutable record use for network parsing + if include_files is not None or use_partial_query_graph is not None: + viz_subset = set() + subset_file = include_files if include_files is not None else use_partial_query_graph + with open(subset_file, 'r') as assemblyFiles: + for assembly in assemblyFiles: + viz_subset.add(assembly.rstrip()) + if len(viz_subset.difference(combined_seq)) > 0: + sys.stderr.write("--include-files contains names not in --distances\n") + sys.stderr.write("Please assign distances before subsetting the database\n") + else: + viz_subset = None + + #******************************# + #* *# + #* Process dense or sparse *# + #* distances *# + #* *# + #******************************# + # Determine whether to use sparse distances - combined_seq = None use_sparse = False use_dense = False + if (tree == "mst" or tree == "both") and rank_fit is not None: # Set flag use_sparse = True # Read list of sequence names and sparse distance matrix - rlist = read_rlist_from_distance_pickle(distances + '.pkl') + rlist = combined_seq sparse_mat = sparse.load_npz(rank_fit) - combined_seq = rlist # Check previous distances have been supplied if building on a previous MST old_rlist = None if previous_distances is not None: @@ -289,48 +319,63 @@ def generate_visualisations(query_db, elif previous_mst is not None: sys.stderr.write('The prefix of the distance files used to create the previous MST' ' is needed to use the network') + if (tree == "nj" or tree == "both") or rank_fit == None: use_dense = True - # Process dense distance matrix - rlist, qlist, self, complete_distMat = readPickle(distances) - if not self: - qr_distMat = complete_distMat - combined_seq = rlist + qlist + + # Either calculate or read distances + if recalculate_distances: + sys.stderr.write("Recalculating pairwise distances for tree construction\n") + + # Generate distances + self = True + sequences_to_analyse = viz_subset if viz_subset is not None else combined_seq + qlist = sequences_to_analyse + subset_distMat = pp_sketchlib.queryDatabase(ref_db_name=ref_db_loc, + query_db_name=ref_db_loc, + rList=sequences_to_analyse, + qList=sequences_to_analyse, + klist=kmers.tolist(), + random_correct=True, + jaccard=False, + num_threads=threads, + use_gpu = gpu_dist, + device_id = deviceid) + + # Convert distance matrix format + combined_seq, core_distMat, acc_distMat = \ + update_distance_matrices(sequences_to_analyse, + subset_distMat, + threads = threads) + else: - rr_distMat = complete_distMat - combined_seq = rlist - - # Fill in qq-distances if required - if self == False: - sys.stderr.write("Note: Distances in " + distances + " are from assign mode\n" - "Note: Distance will be extended to full all-vs-all distances\n" - "Note: Re-run poppunk_assign with --update-db to avoid this\n") - ref_db_loc = ref_db + "/" + os.path.basename(ref_db) - rlist_original, qlist_original, self_ref, rr_distMat = readPickle(ref_db_loc + ".dists") - if not self_ref: - sys.stderr.write("Distances in " + ref_db + " not self all-vs-all either\n") - sys.exit(1) - kmers, sketch_sizes, codon_phased = readDBParams(query_db) - addRandom(query_db, qlist, kmers, - strand_preserved = strand_preserved, threads = threads) - query_db_loc = query_db + "/" + os.path.basename(query_db) - qq_distMat = pp_sketchlib.queryDatabase(ref_db_name=query_db_loc, - query_db_name=query_db_loc, - rList=qlist, - qList=qlist, - klist=kmers, - random_correct=True, - jaccard=False, - num_threads=threads, - use_gpu=gpu_dist, - device_id=deviceid) - - # If the assignment was run with references, qrDistMat will be incomplete - if rlist != rlist_original: - rlist = rlist_original - qr_distMat = pp_sketchlib.queryDatabase(ref_db_name=ref_db_loc, + sys.stderr.write("Reading pairwise distances for tree construction\n") + + # Process dense distance matrix + rlist, qlist, self, complete_distMat = readPickle(distances) + if not self: + qr_distMat = complete_distMat + combined_seq = rlist + qlist + else: + rr_distMat = complete_distMat + combined_seq = rlist + + # Fill in qq-distances if required + if self == False: + sys.stderr.write("Note: Distances in " + distances + " are from assign mode\n" + "Note: Distance will be extended to full all-vs-all distances\n" + "Note: Re-run poppunk_assign with --update-db to avoid this\n") + rlist_original, qlist_original, self_ref, rr_distMat = readPickle(ref_db_loc + ".dists") + if not self_ref: + sys.stderr.write("Distances in " + ref_db + " not self all-vs-all either\n") + sys.exit(1) + kmers, sketch_sizes, codon_phased = readDBParams(query_db) + addRandom(query_db, qlist, kmers, + strand_preserved = strand_preserved, threads = threads) + query_db_loc = query_db + "/" + os.path.basename(query_db) + qq_distMat = pp_sketchlib.queryDatabase(ref_db_name=query_db_loc, query_db_name=query_db_loc, - rList=rlist, + rList=qlist, qList=qlist, klist=kmers, random_correct=True, @@ -339,46 +384,42 @@ def generate_visualisations(query_db, use_gpu=gpu_dist, device_id=deviceid) - else: - qlist = None - qr_distMat = None - qq_distMat = None - - # Turn long form matrices into square form - combined_seq, core_distMat, acc_distMat = \ - update_distance_matrices(rlist, rr_distMat, - qlist, qr_distMat, qq_distMat, - threads = threads) - - #*******************************# - #* *# - #* Extract subset of sequences *# - #* *# - #*******************************# - - # extract subset of distances if requested - all_seq = combined_seq - if include_files is not None or use_partial_query_graph is not None: - viz_subset = set() - subset_file = include_files if include_files is not None else use_partial_query_graph - with open(subset_file, 'r') as assemblyFiles: - for assembly in assemblyFiles: - viz_subset.add(assembly.rstrip()) - if len(viz_subset.difference(combined_seq)) > 0: - sys.stderr.write("--include-files contains names not in --distances\n") + # If the assignment was run with references, qrDistMat will be incomplete + if rlist != rlist_original: + rlist = rlist_original + qr_distMat = pp_sketchlib.queryDatabase(ref_db_name=ref_db_loc, + query_db_name=query_db_loc, + rList=rlist, + qList=qlist, + klist=kmers, + random_correct=True, + jaccard=False, + num_threads=threads, + use_gpu=gpu_dist, + device_id=deviceid) - # Only keep found rows - row_slice = [True if name in viz_subset else False for name in combined_seq] - combined_seq = [name for name in combined_seq if name in viz_subset] - if use_sparse: - sparse_mat = sparse_mat[np.ix_(row_slice, row_slice)] - if use_dense: - if qlist != None: - qlist = list(viz_subset.intersection(qlist)) - core_distMat = core_distMat[np.ix_(row_slice, row_slice)] - acc_distMat = acc_distMat[np.ix_(row_slice, row_slice)] - else: - viz_subset = None + else: + qlist = None + qr_distMat = None + qq_distMat = None + + # Turn long form matrices into square form + combined_seq, core_distMat, acc_distMat = \ + update_distance_matrices(rlist, rr_distMat, + qlist, qr_distMat, qq_distMat, + threads = threads) + + # Prune distance matrix if subsetting data + if viz_subset is not None: + row_slice = [True if name in viz_subset else False for name in combined_seq] + combined_seq = [name for name in combined_seq if name in viz_subset] + if use_sparse: + sparse_mat = sparse_mat[np.ix_(row_slice, row_slice)] + if use_dense: + if qlist != None: + qlist = list(viz_subset.intersection(qlist)) + core_distMat = core_distMat[np.ix_(row_slice, row_slice)] + acc_distMat = acc_distMat[np.ix_(row_slice, row_slice)] #**********************************# #* *# @@ -670,6 +711,7 @@ def main(): args.overwrite, args.display_cluster, args.use_partial_query_graph, + args.recalculate_distances, args.tmp) if __name__ == '__main__': From 948f468578d54c82c011aa5b0bc4e4d2642edede Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Fri, 11 Oct 2024 10:00:32 +0100 Subject: [PATCH 13/39] Add network argument to function call --- PopPUNK/lineages.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/PopPUNK/lineages.py b/PopPUNK/lineages.py index 8c79aeed..7b12f045 100755 --- a/PopPUNK/lineages.py +++ b/PopPUNK/lineages.py @@ -440,7 +440,8 @@ def query_db(args): accessory, args.gpu_dist, args.gpu_graph, - save_partial_query_graph = False) + save_partial_query_graph = False, + use_full_network = True) overall_lineage[strain] = createOverallLineage(rank_list, lineageClustering) # Print combined strain and lineage clustering From 36291b20f6236b8651310568a748493b7f1fada4 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Fri, 11 Oct 2024 11:03:39 +0100 Subject: [PATCH 14/39] Enable recalculation of distances for visualisation --- PopPUNK/sketchlib.py | 17 +++++++++++---- PopPUNK/utils.py | 6 +++++- PopPUNK/visualise.py | 49 +++++++++++++++++++++++++++++++++++++------- 3 files changed, 60 insertions(+), 12 deletions(-) diff --git a/PopPUNK/sketchlib.py b/PopPUNK/sketchlib.py index df8b941d..29c0445a 100644 --- a/PopPUNK/sketchlib.py +++ b/PopPUNK/sketchlib.py @@ -213,7 +213,7 @@ def getSeqsInDb(dbname): return seqs -def joinDBs(db1, db2, output, update_random = None): +def joinDBs(db1, db2, output, update_random = None, full_names = False): """Join two sketch databases with the low-level HDF5 copy interface Args: @@ -226,10 +226,19 @@ def joinDBs(db1, db2, output, update_random = None): update_random (dict) Whether to re-calculate the random object. May contain control arguments strand_preserved and threads (see :func:`addRandom`) + full_names (bool) + If True, db_name and out_name are the full paths to h5 files + """ - join_prefix = output + "/" + os.path.basename(output) - db1_name = db1 + "/" + os.path.basename(db1) + ".h5" - db2_name = db2 + "/" + os.path.basename(db2) + ".h5" + + if not full_names: + join_prefix = output + "/" + os.path.basename(output) + db1_name = db1 + "/" + os.path.basename(db1) + ".h5" + db2_name = db2 + "/" + os.path.basename(db2) + ".h5" + else: + db1_name = db1 + db2_name = db2 + join_prefix = output hdf1 = h5py.File(db1_name, 'r') hdf2 = h5py.File(db2_name, 'r') diff --git a/PopPUNK/utils.py b/PopPUNK/utils.py index d411ecbf..4e5eaa73 100644 --- a/PopPUNK/utils.py +++ b/PopPUNK/utils.py @@ -593,7 +593,7 @@ def check_and_set_gpu(use_gpu, gpu_lib, quit_on_fail = False): return use_gpu -def read_rlist_from_distance_pickle(fn, allow_non_self = True): +def read_rlist_from_distance_pickle(fn, allow_non_self = True, include_queries = False): """Return the list of reference sequences from a distance pickle. Args: @@ -601,6 +601,8 @@ def read_rlist_from_distance_pickle(fn, allow_non_self = True): Name of distance pickle allow_non_self (bool) Whether non-self distance datasets are permissible + include_queries (bool) + Whether queries should be included in the rlist Returns: rlist (list) List of reference sequence names @@ -611,6 +613,8 @@ def read_rlist_from_distance_pickle(fn, allow_non_self = True): sys.stderr.write("Thi analysis requires an all-v-all" " distance dataset\n") sys.exit(1) + if include_queries: + rlist = rlist + qlist return rlist def get_match_search_depth(rlist,rank_list): diff --git a/PopPUNK/visualise.py b/PopPUNK/visualise.py index 8df9fca6..c6ff5509 100644 --- a/PopPUNK/visualise.py +++ b/PopPUNK/visualise.py @@ -166,6 +166,22 @@ def get_options(): return args +# Create temporary pruned database +def create_pruned_tmp_db(prefix,subset): + + from .sketchlib import removeFromDB + from .sketchlib import getSeqsInDb + + h5_name = prefix + "/" + os.path.basename(prefix) + ".h5" + tmp_h5_name = prefix + "/" + os.path.basename(prefix) + ".tmp.h5" + sequences_in_db = getSeqsInDb(h5_name) + removeFromDB(h5_name, + prefix + "/" + os.path.basename(prefix) + ".tmp.h5", + set(sequences_in_db) - subset, + full_names = True + ) + return tmp_h5_name, sequences_in_db + def generate_visualisations(query_db, ref_db, distances, @@ -220,7 +236,8 @@ def generate_visualisations(query_db, from .sketchlib import readDBParams from .sketchlib import addRandom - + from .sketchlib import joinDBs + from .sparse_mst import generate_mst_from_sparse_input from .trees import load_tree, generate_nj_tree, mst_to_phylogeny @@ -281,7 +298,7 @@ def generate_visualisations(query_db, kmers, sketch_sizes, codon_phased = readDBParams(ref_db) # extract subset of distances if requested - combined_seq = read_rlist_from_distance_pickle(distances + '.pkl') + combined_seq = read_rlist_from_distance_pickle(distances + '.pkl', include_queries = True) all_seq = combined_seq # all_seq is an immutable record use for network parsing if include_files is not None or use_partial_query_graph is not None: viz_subset = set() @@ -327,12 +344,30 @@ def generate_visualisations(query_db, if recalculate_distances: sys.stderr.write("Recalculating pairwise distances for tree construction\n") + # Merge relevant sequences into a single database + sys.stderr.write("Generating merged database\n") + sequences_to_analyse = list(viz_subset) if viz_subset is not None else combined_seq + # Filter from reference database + tmp_ref_h5_file, rlist = create_pruned_tmp_db(ref_db,viz_subset) + viz_db_name = output + "/" + os.path.basename(output) + if query_db is not None: + # Add from query database + query_db_loc = query_db + "/" + os.path.basename(query_db) + tmp_query_h5_file, qlist = create_pruned_tmp_db(query_db,viz_subset) + joinDBs(tmp_ref_h5_file, + tmp_query_h5_file, + viz_db_name, + full_names = True) + os.remove(tmp_query_h5_file) + os.remove(tmp_ref_h5_file) + else: + os.rename(tmp_ref_h5_file,viz_db_name) + # Generate distances + sys.stderr.write("Comparing sketches\n") self = True - sequences_to_analyse = viz_subset if viz_subset is not None else combined_seq - qlist = sequences_to_analyse - subset_distMat = pp_sketchlib.queryDatabase(ref_db_name=ref_db_loc, - query_db_name=ref_db_loc, + subset_distMat = pp_sketchlib.queryDatabase(ref_db_name=viz_db_name, + query_db_name=viz_db_name, rList=sequences_to_analyse, qList=sequences_to_analyse, klist=kmers.tolist(), @@ -485,7 +520,7 @@ def generate_visualisations(query_db, # Join clusters with query clusters if required if use_dense: - if not self: + if query_db is not None: if previous_query_clustering is not None: prev_query_clustering = previous_query_clustering else: From 5cfef05d89352964436ce7a4927e8480fb1ff602 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Fri, 11 Oct 2024 11:04:24 +0100 Subject: [PATCH 15/39] Add distance recalculation test --- test/run_test.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/test/run_test.py b/test/run_test.py index a1da15cc..53f8bbc2 100755 --- a/test/run_test.py +++ b/test/run_test.py @@ -130,7 +130,7 @@ subprocess.run(python_cmd + " ../poppunk-runner.py --fit-model dbscan --ref-db batch12 --output batch12 --overwrite", shell=True, check=True) subprocess.run(python_cmd + " ../poppunk-runner.py --fit-model refine --ref-db batch12 --output batch12 --overwrite", shell=True, check=True) subprocess.run(python_cmd + " ../poppunk_assign-runner.py --db batch12 --query rfile3.txt --output batch3 --external-clustering batch12_external_clusters.csv --save-partial-query-graph --overwrite", shell=True, check=True) -subprocess.run(python_cmd + " ../poppunk_visualise-runner.py --ref-db batch12 --query-db batch3 --output batch123_viz --external-clustering batch12_external_clusters.csv --previous-query-clustering batch3/batch3_external_clusters.csv --cytoscape --rapidnj rapidnj --network-file ./batch3/batch3_graph.gt --use-partial-query-graph ./batch3/batch3_query.subset --overwrite", shell=True, check=True) +subprocess.run(python_cmd + " ../poppunk_visualise-runner.py --ref-db batch12 --query-db batch3 --output batch123_viz --external-clustering batch12_external_clusters.csv --previous-query-clustering batch3/batch3_external_clusters.csv --cytoscape --rapidnj rapidnj --network-file ./batch3/batch3_graph.gt --use-partial-query-graph ./batch3/batch3_query.subset --recalculate-distances --overwrite", shell=True, check=True) # citations sys.stderr.write("Printing citations\n") From 79dd0447f47a464ef605f46addc65239cc02d38d Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Fri, 11 Oct 2024 13:03:41 +0100 Subject: [PATCH 16/39] Update external clustering file --- test/batch12_external_clusters.csv | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/test/batch12_external_clusters.csv b/test/batch12_external_clusters.csv index 01b480b3..92888c05 100644 --- a/test/batch12_external_clusters.csv +++ b/test/batch12_external_clusters.csv @@ -1,16 +1,16 @@ Taxon,Cluster -19183_4#67,CLUSTER1 +12754_4#85,CLUSTER1 12754_5#55,CLUSTER1 -12754_5#57,CLUSTER1 +19183_4#69,CLUSTER1 12673_8#34,CLUSTER1 12754_5#71,CLUSTER1 -19183_4#69,CLUSTER1 -12754_4#85,CLUSTER1 +19183_4#67,CLUSTER1 19183_4#66,CLUSTER1 -12754_4#89,CLUSTER2 +12754_5#57,CLUSTER1 19183_4#55,CLUSTER2 -12754_5#73,CLUSTER3 +12754_4#89,CLUSTER2 12754_4#79,CLUSTER3 +12754_5#73,CLUSTER3 19183_4#63,CLUSTER4 19183_4#59,CLUSTER5 19183_4#48,CLUSTER6 From 396b3c2c8c5b0a1ddd8e3ab62eac5dc14a7c82f5 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Fri, 11 Oct 2024 13:04:10 +0100 Subject: [PATCH 17/39] Describe use of partial query graphs --- docs/visualisation.rst | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/docs/visualisation.rst b/docs/visualisation.rst index c9a359df..4697dadc 100644 --- a/docs/visualisation.rst +++ b/docs/visualisation.rst @@ -24,6 +24,14 @@ At least one of these output types must be specified as a flag. If you are running multiple visualisations this calculation will be completed every time. To avoid this re-run your assignment with ``--update-db``, which will add these distances in permanently. +If you are only interested in visualising sequences that are closely-related to those in a set of +query sequences, then the quickest approach is to use the ``--save-partial-query-graph`` option +when assigning sequences. This will generate a list of sequences spanning both your queries, and all +the reference database isolates that are in the same network components (i.e., excluding those that +are not related to your query isolates); this is contained in the file ``[prefix]_query.subset``. This list +can be passed to the visualisation command using the flag ``--use-partial-query-graph ./[prefix]/[prefix]_query.subset`` +to only visualise the parts of the network that are relevant to your query. + Common options -------------- Some typical commands for various input settings (with ``--microreact``, but this can From ef9567413c1be4a52203b6ca6a36898d6608d32f Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Fri, 11 Oct 2024 18:17:12 +0100 Subject: [PATCH 18/39] Update external clustering files --- test/batch12_external_clusters.csv | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/test/batch12_external_clusters.csv b/test/batch12_external_clusters.csv index 92888c05..46cd9ecf 100644 --- a/test/batch12_external_clusters.csv +++ b/test/batch12_external_clusters.csv @@ -1,16 +1,16 @@ Taxon,Cluster -12754_4#85,CLUSTER1 +19183_4#67,CLUSTER1 +12754_5#57,CLUSTER1 +12673_8#34,CLUSTER1 12754_5#55,CLUSTER1 +12754_4#85,CLUSTER1 19183_4#69,CLUSTER1 -12673_8#34,CLUSTER1 -12754_5#71,CLUSTER1 -19183_4#67,CLUSTER1 19183_4#66,CLUSTER1 -12754_5#57,CLUSTER1 +12754_5#71,CLUSTER1 19183_4#55,CLUSTER2 12754_4#89,CLUSTER2 -12754_4#79,CLUSTER3 12754_5#73,CLUSTER3 +12754_4#79,CLUSTER3 19183_4#63,CLUSTER4 19183_4#59,CLUSTER5 19183_4#48,CLUSTER6 From 8fc600171878a2412a92199dc2e78c3b41281bac Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Sat, 12 Oct 2024 10:06:44 +0100 Subject: [PATCH 19/39] Add test for external clustering --- test/run_test.py | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/test/run_test.py b/test/run_test.py index 53f8bbc2..09b4b72b 100755 --- a/test/run_test.py +++ b/test/run_test.py @@ -81,6 +81,10 @@ subprocess.run(python_cmd + " ../poppunk_assign-runner.py --query inref_query.txt --db example_db --model-dir example_refine --output example_single_query --write-references", shell=True, check=True) # matched name, but should be renamed in the output subprocess.run(python_cmd + " ../poppunk_assign-runner.py --query some_queries.txt --db example_db --model-dir example_refine --model-dir example_lineages --output example_lineage_query --overwrite", shell=True, check=True) +#external clustering +sys.stderr.write("Running assign with external clustering (--fit-model refine)\n") +subprocess.run(python_cmd + " ../poppunk_assign-runner.py --query some_queries.txt --db example_db --model-dir example_refine --output example_query --overwrite --external-clustering example_external_clusters.csv", shell=True, check=True) + # test updating order is correct sys.stderr.write("Running distance matrix order check (--update-db)\n") subprocess.run(python_cmd + " test-update.py", shell=True, check=True) From e7c94a5597916f72fc665f9235661f37d2263630 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Sat, 12 Oct 2024 10:10:27 +0100 Subject: [PATCH 20/39] Update external clustering files --- test/example_set.tar.bz2 | Bin 24077445 -> 24077463 bytes 1 file changed, 0 insertions(+), 0 deletions(-) diff --git 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z?hDWqg5Kd;Dv2uNwljr1UkTDBuPuNS#Z(1A_C^bvn{xV`QZZYdGy%oyB~(l-d%Vy)F#woRg+i?nUVi{g0El0}&BTaQW(%?{5Hn3; zaIXr6p7TDnpQERdyxtjK0jqvstgsA`VhRIFtU#_h?q!iz6(0fa9h01X1BM*4d`-7B zJ7>gq&rI>21HeoV5#kC*%sU52?wu3kD-fNsL-i9+(lOZ>_0I9!F^{f8%|0Tz;V;i* zJSTMM9ciNw;GNUFc?w3+@*VR4!aOI+9dgO!GLM{mrs&!~Y2h}H5&w-~+78fl&e6|3 z6Iifn9rJP=6Bo^d@(gVngO6y Date: Sat, 12 Oct 2024 10:28:33 +0100 Subject: [PATCH 21/39] Bump version --- PopPUNK/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PopPUNK/__init__.py b/PopPUNK/__init__.py index d7f9d184..c6757346 100644 --- a/PopPUNK/__init__.py +++ b/PopPUNK/__init__.py @@ -3,7 +3,7 @@ '''PopPUNK (POPulation Partitioning Using Nucleotide Kmers)''' -__version__ = '2.7.2' +__version__ = '2.7.3' # Minimum sketchlib version SKETCHLIB_MAJOR = 2 From a1d088d74b2c626926cae937e16690e611972941 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Mon, 14 Oct 2024 21:21:59 +0100 Subject: [PATCH 22/39] Restructure to enable selection by cluster --- PopPUNK/visualise.py | 170 ++++++++++++++++++++++--------------------- 1 file changed, 89 insertions(+), 81 deletions(-) diff --git a/PopPUNK/visualise.py b/PopPUNK/visualise.py index c6ff5509..8a01a0ca 100644 --- a/PopPUNK/visualise.py +++ b/PopPUNK/visualise.py @@ -314,16 +314,17 @@ def generate_visualisations(query_db, #******************************# #* *# - #* Process dense or sparse *# - #* distances *# + #* Determine type of distance *# + #* to use *# #* *# #******************************# # Determine whether to use sparse distances use_sparse = False use_dense = False - - if (tree == "mst" or tree == "both") and rank_fit is not None: + if (tree == "nj" or tree == "both") or rank_fit == None: + use_dense = True + elif (tree == "mst" or tree == "both") and rank_fit is not None: # Set flag use_sparse = True # Read list of sequence names and sparse distance matrix @@ -336,9 +337,91 @@ def generate_visualisations(query_db, elif previous_mst is not None: sys.stderr.write('The prefix of the distance files used to create the previous MST' ' is needed to use the network') - + + #**********************************# + #* *# + #* Process clustering information *# + #* *# + #**********************************# + + # identify existing model and cluster files + if model_dir is not None: + model_prefix = model_dir + else: + model_prefix = ref_db + try: + model_file = os.path.join(model_prefix, os.path.basename(model_prefix)) + model = loadClusterFit(model_file + '_fit.pkl', + model_file + '_fit.npz') + model.set_threads(threads) + except FileNotFoundError: + sys.stderr.write('Unable to locate previous model fit in ' + model_prefix + '\n') + sys.exit(1) + + # Either use strain definitions, lineage assignments or external clustering + isolateClustering = {} + # Use external clustering if specified + if external_clustering: + mode = 'external' + cluster_file = external_clustering + if cluster_file.endswith('_lineages.csv'): + suffix = "_lineages.csv" + else: + suffix = "_clusters.csv" + else: + # Load previous clusters + if previous_clustering is not None: + cluster_file = previous_clustering + mode = "clusters" + suffix = "_clusters.csv" + if cluster_file.endswith('_lineages.csv'): + mode = "lineages" + suffix = "_lineages.csv" + else: + # Identify type of clustering based on model + mode = "clusters" + suffix = "_clusters.csv" + if model.type == "lineage": + mode = "lineages" + suffix = "_lineages.csv" + cluster_file = os.path.join(model_prefix, os.path.basename(model_prefix) + suffix) + + isolateClustering = readIsolateTypeFromCsv(cluster_file, + mode = mode, + return_dict = True) + + # Add individual refinement clusters if they exist + if model.indiv_fitted: + for type, indiv_suffix in zip(['Core','Accessory'],['_core_clusters.csv','_accessory_clusters.csv']): + indiv_clustering = os.path.join(model_prefix, os.path.basename(model_prefix) + indiv_suffix) + if os.path.isfile(indiv_clustering): + indiv_isolateClustering = readIsolateTypeFromCsv(indiv_clustering, + mode = mode, + return_dict = True) + isolateClustering[type] = indiv_isolateClustering['Cluster'] + + # Join clusters with query clusters if required + if use_dense: + if query_db is not None: + if previous_query_clustering is not None: + prev_query_clustering = previous_query_clustering + else: + prev_query_clustering = os.path.join(query_db, os.path.basename(query_db) + suffix) + + queryIsolateClustering = readIsolateTypeFromCsv( + prev_query_clustering, + mode = mode, + return_dict = True) + isolateClustering = joinClusterDicts(isolateClustering, queryIsolateClustering) + + #******************************# + #* *# + #* Process dense or sparse *# + #* distances *# + #* *# + #******************************# + if (tree == "nj" or tree == "both") or rank_fit == None: - use_dense = True # Either calculate or read distances if recalculate_distances: @@ -456,81 +539,6 @@ def generate_visualisations(query_db, core_distMat = core_distMat[np.ix_(row_slice, row_slice)] acc_distMat = acc_distMat[np.ix_(row_slice, row_slice)] - #**********************************# - #* *# - #* Process clustering information *# - #* *# - #**********************************# - - # identify existing model and cluster files - if model_dir is not None: - model_prefix = model_dir - else: - model_prefix = ref_db - try: - model_file = os.path.join(model_prefix, os.path.basename(model_prefix)) - model = loadClusterFit(model_file + '_fit.pkl', - model_file + '_fit.npz') - model.set_threads(threads) - except FileNotFoundError: - sys.stderr.write('Unable to locate previous model fit in ' + model_prefix + '\n') - sys.exit(1) - - # Either use strain definitions, lineage assignments or external clustering - isolateClustering = {} - # Use external clustering if specified - if external_clustering: - mode = 'external' - cluster_file = external_clustering - if cluster_file.endswith('_lineages.csv'): - suffix = "_lineages.csv" - else: - suffix = "_clusters.csv" - else: - # Load previous clusters - if previous_clustering is not None: - cluster_file = previous_clustering - mode = "clusters" - suffix = "_clusters.csv" - if cluster_file.endswith('_lineages.csv'): - mode = "lineages" - suffix = "_lineages.csv" - else: - # Identify type of clustering based on model - mode = "clusters" - suffix = "_clusters.csv" - if model.type == "lineage": - mode = "lineages" - suffix = "_lineages.csv" - cluster_file = os.path.join(model_prefix, os.path.basename(model_prefix) + suffix) - - isolateClustering = readIsolateTypeFromCsv(cluster_file, - mode = mode, - return_dict = True) - - # Add individual refinement clusters if they exist - if model.indiv_fitted: - for type, indiv_suffix in zip(['Core','Accessory'],['_core_clusters.csv','_accessory_clusters.csv']): - indiv_clustering = os.path.join(model_prefix, os.path.basename(model_prefix) + indiv_suffix) - if os.path.isfile(indiv_clustering): - indiv_isolateClustering = readIsolateTypeFromCsv(indiv_clustering, - mode = mode, - return_dict = True) - isolateClustering[type] = indiv_isolateClustering['Cluster'] - - # Join clusters with query clusters if required - if use_dense: - if query_db is not None: - if previous_query_clustering is not None: - prev_query_clustering = previous_query_clustering - else: - prev_query_clustering = os.path.join(query_db, os.path.basename(query_db) + suffix) - - queryIsolateClustering = readIsolateTypeFromCsv( - prev_query_clustering, - mode = mode, - return_dict = True) - isolateClustering = joinClusterDicts(isolateClustering, queryIsolateClustering) #*******************# #* *# From e399db19e35e920086fa9b9c41de08ee577593a0 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Mon, 14 Oct 2024 21:35:27 +0100 Subject: [PATCH 23/39] Speed up network pruning --- PopPUNK/network.py | 18 +++++++----------- 1 file changed, 7 insertions(+), 11 deletions(-) diff --git a/PopPUNK/network.py b/PopPUNK/network.py index 3f347bde..f0d4a3f4 100644 --- a/PopPUNK/network.py +++ b/PopPUNK/network.py @@ -1997,23 +1997,19 @@ def retain_only_query_clusters(G, rlist, qlist, use_gpu = False): sys.stderr.write('Not compatible with GPU networks yet\n') query_subgraph = G else: - components = gt.label_components(G)[0].a - for component in components: - subgraph = gt.GraphView(G, vfilt=components == component) - max_node = max([int(v) for v in subgraph.vertices()]) - if max_node >= num_refs: - components_with_query.append(int(component)) + # Identify network components containing queries + component_dict = gt.label_components(G)[0] + components_with_query = set() + for i in range(num_refs+1,G.num_vertices()): + v = G.vertex(i) # Access vertex by index + components_with_query.add(component_dict[v]) # Create a boolean filter based on the list of component IDs query_filter = G.new_vertex_property("bool") for v in G.vertices(): - query_filter[int(v)] = (components[int(v)] in components_with_query) + query_filter[int(v)] = (component_dict[v] in components_with_query) if query_filter[int(v)]: pruned_names.append(combined_names[int(v)]) - # Create a filtered graph with only the specified components query_subgraph = gt.GraphView(G, vfilt=query_filter) - - # Purge the filtered graph to remove the other components permanently - query_subgraph.purge_vertices() return query_subgraph, pruned_names From dfc23004ee523738cf120eeed0ea439fcc834e9c Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Thu, 17 Oct 2024 19:38:36 +0100 Subject: [PATCH 24/39] More efficient database use --- PopPUNK/visualise.py | 10 +++++++--- 1 file changed, 7 insertions(+), 3 deletions(-) diff --git a/PopPUNK/visualise.py b/PopPUNK/visualise.py index 8a01a0ca..8ea3030b 100644 --- a/PopPUNK/visualise.py +++ b/PopPUNK/visualise.py @@ -429,9 +429,13 @@ def generate_visualisations(query_db, # Merge relevant sequences into a single database sys.stderr.write("Generating merged database\n") - sequences_to_analyse = list(viz_subset) if viz_subset is not None else combined_seq - # Filter from reference database - tmp_ref_h5_file, rlist = create_pruned_tmp_db(ref_db,viz_subset) + if viz_subset is not None: + sequences_to_analyse = list(viz_subset) if viz_subset is not None else combined_seq + # Filter from reference database + tmp_ref_h5_file, rlist = create_pruned_tmp_db(ref_db,viz_subset) + else: + sequences_to_analyse = combined_seq + tmp_ref_h5_file = ref_db viz_db_name = output + "/" + os.path.basename(output) if query_db is not None: # Add from query database From f40a828e1b2eaf5005d1dc0fbf54217fc5a26d90 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Thu, 17 Oct 2024 19:38:58 +0100 Subject: [PATCH 25/39] Fix indexing error --- PopPUNK/network.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PopPUNK/network.py b/PopPUNK/network.py index f0d4a3f4..4d9cf4e9 100644 --- a/PopPUNK/network.py +++ b/PopPUNK/network.py @@ -2000,7 +2000,7 @@ def retain_only_query_clusters(G, rlist, qlist, use_gpu = False): # Identify network components containing queries component_dict = gt.label_components(G)[0] components_with_query = set() - for i in range(num_refs+1,G.num_vertices()): + for i in range(num_refs,G.num_vertices()): v = G.vertex(i) # Access vertex by index components_with_query.add(component_dict[v]) # Create a boolean filter based on the list of component IDs From 9cc6c13502a271d60a5fe5f01ba68c3769a0486f Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Thu, 17 Oct 2024 21:21:44 +0100 Subject: [PATCH 26/39] Quicker network plotting --- PopPUNK/plot.py | 7 +++++-- PopPUNK/visualise.py | 8 +++++--- 2 files changed, 10 insertions(+), 5 deletions(-) diff --git a/PopPUNK/plot.py b/PopPUNK/plot.py index 6f7a995b..a49988ca 100644 --- a/PopPUNK/plot.py +++ b/PopPUNK/plot.py @@ -511,7 +511,7 @@ def drawMST(mst, outPrefix, isolate_clustering, clustering_name, overwrite): output=graph2_file_name, output_size=(3000, 3000)) def outputsForCytoscape(G, G_mst, isolate_names, clustering, outPrefix, epiCsv, queryList = None, - suffix = None, writeCsv = True): + suffix = None, writeCsv = True, use_partial_query_graph = False): """Write outputs for cytoscape. A graphml of the network, and CSV with metadata Args: @@ -536,6 +536,8 @@ def outputsForCytoscape(G, G_mst, isolate_names, clustering, outPrefix, epiCsv, (default = None) writeCsv (bool) Whether to print CSV file to accompany network + use_partial_query_graph (bool) + Whether to optimise output for outputting only partial graphs """ # Avoid circular import @@ -553,7 +555,8 @@ def outputsForCytoscape(G, G_mst, isolate_names, clustering, outPrefix, epiCsv, suffix = '_cytoscape' else: suffix = suffix + '_cytoscape' - save_network(G, prefix = outPrefix, suffix = suffix, use_graphml = True) + if not use_partial_query_graph: + save_network(G, prefix = outPrefix, suffix = suffix, use_graphml = True) # Save each component too (useful for very large graphs) component_assignments, component_hist = gt.label_components(G) diff --git a/PopPUNK/visualise.py b/PopPUNK/visualise.py index 8ea3030b..b39d0407 100644 --- a/PopPUNK/visualise.py +++ b/PopPUNK/visualise.py @@ -421,7 +421,7 @@ def generate_visualisations(query_db, #* *# #******************************# - if (tree == "nj" or tree == "both") or rank_fit == None: + if (tree == "nj" or tree == "both") or (model.type == 'lineage' and rank_fit == None): # Either calculate or read distances if recalculate_distances: @@ -699,7 +699,7 @@ def generate_visualisations(query_db, if gpu_graph: genomeNetwork = cugraph_to_graph_tool(genomeNetwork, isolateNameToLabel(all_seq)) # Hard delete from network to remove samples (mask doesn't work neatly) - if include_files is not None: + if include_files is not None and not use_partial_query_graph: genomeNetwork = remove_nodes_from_graph(genomeNetwork, all_seq, viz_subset, use_gpu = gpu_graph) elif rank_fit is not None: genomeNetwork = sparse_mat_to_network(sparse_mat, combined_seq, use_gpu = gpu_graph) @@ -710,12 +710,14 @@ def generate_visualisations(query_db, # for full network node_labels = viz_subset if (use_partial_query_graph is not None or include_files is not None) \ else combined_seq + sys.stderr.write('Preparing outputs for cytoscape\n') outputsForCytoscape(genomeNetwork, mst_graph, node_labels, isolateClustering, output, - info_csv) + info_csv, + use_partial_query_graph) if model.type == 'lineage': sys.stderr.write("Note: Only support for output of cytoscape graph at lowest rank\n") From 3ab5079f3302a5920884c006e4943f1d0b0b13e3 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Wed, 23 Oct 2024 12:59:42 +0100 Subject: [PATCH 27/39] Fix logic of network file construction --- PopPUNK/plot.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PopPUNK/plot.py b/PopPUNK/plot.py index a49988ca..33d457d8 100644 --- a/PopPUNK/plot.py +++ b/PopPUNK/plot.py @@ -555,7 +555,7 @@ def outputsForCytoscape(G, G_mst, isolate_names, clustering, outPrefix, epiCsv, suffix = '_cytoscape' else: suffix = suffix + '_cytoscape' - if not use_partial_query_graph: + if use_partial_query_graph is None: save_network(G, prefix = outPrefix, suffix = suffix, use_graphml = True) # Save each component too (useful for very large graphs) From 42b1c20240b79236fd64f42f372a707b3146f4b4 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Mon, 4 Nov 2024 14:21:45 +0000 Subject: [PATCH 28/39] Make logic consistent for partial graphs --- PopPUNK/plot.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/PopPUNK/plot.py b/PopPUNK/plot.py index 33d457d8..c41bc69c 100644 --- a/PopPUNK/plot.py +++ b/PopPUNK/plot.py @@ -511,7 +511,7 @@ def drawMST(mst, outPrefix, isolate_clustering, clustering_name, overwrite): output=graph2_file_name, output_size=(3000, 3000)) def outputsForCytoscape(G, G_mst, isolate_names, clustering, outPrefix, epiCsv, queryList = None, - suffix = None, writeCsv = True, use_partial_query_graph = False): + suffix = None, writeCsv = True, use_partial_query_graph = None): """Write outputs for cytoscape. A graphml of the network, and CSV with metadata Args: @@ -536,8 +536,8 @@ def outputsForCytoscape(G, G_mst, isolate_names, clustering, outPrefix, epiCsv, (default = None) writeCsv (bool) Whether to print CSV file to accompany network - use_partial_query_graph (bool) - Whether to optimise output for outputting only partial graphs + use_partial_query_graph (str) + File listing sequences to be included in output graph """ # Avoid circular import @@ -556,7 +556,7 @@ def outputsForCytoscape(G, G_mst, isolate_names, clustering, outPrefix, epiCsv, else: suffix = suffix + '_cytoscape' if use_partial_query_graph is None: - save_network(G, prefix = outPrefix, suffix = suffix, use_graphml = True) + save_network(G, prefix = outPrefix, suffix = suffix, use_graphml = True) # Save each component too (useful for very large graphs) component_assignments, component_hist = gt.label_components(G) From 889796056ebde31366770b0302f45e6a3a6fcc40 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Mon, 4 Nov 2024 14:36:42 +0000 Subject: [PATCH 29/39] Faster graph processing --- PopPUNK/plot.py | 7 +++---- 1 file changed, 3 insertions(+), 4 deletions(-) diff --git a/PopPUNK/plot.py b/PopPUNK/plot.py index c41bc69c..26663c62 100644 --- a/PopPUNK/plot.py +++ b/PopPUNK/plot.py @@ -565,10 +565,9 @@ def outputsForCytoscape(G, G_mst, isolate_names, clustering, outPrefix, epiCsv, for vidx, v_component in enumerate(component_assignments.a): if v_component != component_idx: remove_list.append(vidx) - G_copy = G.copy() - G_copy.remove_vertex(remove_list) - save_network(G_copy, prefix = outPrefix, suffix = "_component_" + str(component_idx + 1), use_graphml = True) - del G_copy + G.remove_vertex(remove_list) + G.purge_vertices() + save_network(G, prefix = outPrefix, suffix = "_component_" + str(component_idx + 1), use_graphml = True) if G_mst != None: isolate_labels = isolateNameToLabel(G_mst.vp.id) From c1ae7b6333f7ce03f19b3bf2b0fa1afe5b0632b1 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Mon, 4 Nov 2024 14:44:45 +0000 Subject: [PATCH 30/39] Fix communication between functions --- PopPUNK/plot.py | 1 + PopPUNK/visualise.py | 2 +- 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/PopPUNK/plot.py b/PopPUNK/plot.py index 26663c62..a065b173 100644 --- a/PopPUNK/plot.py +++ b/PopPUNK/plot.py @@ -556,6 +556,7 @@ def outputsForCytoscape(G, G_mst, isolate_names, clustering, outPrefix, epiCsv, else: suffix = suffix + '_cytoscape' if use_partial_query_graph is None: + sys.stderr.write('In here\n') save_network(G, prefix = outPrefix, suffix = suffix, use_graphml = True) # Save each component too (useful for very large graphs) diff --git a/PopPUNK/visualise.py b/PopPUNK/visualise.py index b39d0407..c067ebc7 100644 --- a/PopPUNK/visualise.py +++ b/PopPUNK/visualise.py @@ -717,7 +717,7 @@ def generate_visualisations(query_db, isolateClustering, output, info_csv, - use_partial_query_graph) + use_partial_query_graph = use_partial_query_graph) if model.type == 'lineage': sys.stderr.write("Note: Only support for output of cytoscape graph at lowest rank\n") From 118861b1bb407cf9d17ae8c44c9d6ac323ff1e4a Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Wed, 6 Nov 2024 19:33:47 +0000 Subject: [PATCH 31/39] Restore earlier version --- PopPUNK/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PopPUNK/__init__.py b/PopPUNK/__init__.py index c6757346..cbaf1fcf 100644 --- a/PopPUNK/__init__.py +++ b/PopPUNK/__init__.py @@ -3,7 +3,7 @@ '''PopPUNK (POPulation Partitioning Using Nucleotide Kmers)''' -__version__ = '2.7.3' +__version__ = '2.7.1' # Minimum sketchlib version SKETCHLIB_MAJOR = 2 From 16551de7a5d33bbbc631ad473b7fb56f656c8fa5 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Wed, 6 Nov 2024 19:39:58 +0000 Subject: [PATCH 32/39] Correct indentation --- PopPUNK/network.py | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/PopPUNK/network.py b/PopPUNK/network.py index 4d9cf4e9..e6837d4f 100644 --- a/PopPUNK/network.py +++ b/PopPUNK/network.py @@ -2001,14 +2001,14 @@ def retain_only_query_clusters(G, rlist, qlist, use_gpu = False): component_dict = gt.label_components(G)[0] components_with_query = set() for i in range(num_refs,G.num_vertices()): - v = G.vertex(i) # Access vertex by index - components_with_query.add(component_dict[v]) + v = G.vertex(i) # Access vertex by index + components_with_query.add(component_dict[v]) # Create a boolean filter based on the list of component IDs query_filter = G.new_vertex_property("bool") for v in G.vertices(): - query_filter[int(v)] = (component_dict[v] in components_with_query) - if query_filter[int(v)]: - pruned_names.append(combined_names[int(v)]) + query_filter[int(v)] = (component_dict[v] in components_with_query) + if query_filter[int(v)]: + pruned_names.append(combined_names[int(v)]) # Create a filtered graph with only the specified components query_subgraph = gt.GraphView(G, vfilt=query_filter) From 808f0be45541523e9a2a6e83a630696eb94c1c83 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Wed, 6 Nov 2024 19:53:06 +0000 Subject: [PATCH 33/39] Clarify logic of remove_non_query_components --- PopPUNK/assign.py | 2 +- PopPUNK/network.py | 13 ++++++++----- 2 files changed, 9 insertions(+), 6 deletions(-) diff --git a/PopPUNK/assign.py b/PopPUNK/assign.py index a2fc348f..cbc00070 100644 --- a/PopPUNK/assign.py +++ b/PopPUNK/assign.py @@ -367,7 +367,7 @@ def assign_query_hdf5(dbFuncs, from .network import get_vertex_list from .network import printExternalClusters from .network import vertex_betweenness - from .network import retain_only_query_clusters + from .network import remove_non_query_components from .qc import sketchlibAssemblyQC from .plot import writeClusterCsv diff --git a/PopPUNK/network.py b/PopPUNK/network.py index e6837d4f..d91fa699 100644 --- a/PopPUNK/network.py +++ b/PopPUNK/network.py @@ -1969,7 +1969,7 @@ def remove_nodes_from_graph(G,reflist, samples_to_keep, use_gpu): G_new = gt.Graph(G_new, prune = True) return G_new -def retain_only_query_clusters(G, rlist, qlist, use_gpu = False): +def remove_non_query_components(G, rlist, qlist, use_gpu = False): """ Removes all components that do not contain a query sequence. @@ -1989,18 +1989,21 @@ def retain_only_query_clusters(G, rlist, qlist, use_gpu = False): pruned_names (list) The labels of the sequences in the pruned network """ - num_refs = len(rlist) components_with_query = [] combined_names = rlist + qlist pruned_names = [] if use_gpu: - sys.stderr.write('Not compatible with GPU networks yet\n') - query_subgraph = G + sys.stderr.write('Saving partial query graphs is not compatible with GPU networks yet\n') + sys.exit(1) else: # Identify network components containing queries component_dict = gt.label_components(G)[0] components_with_query = set() - for i in range(num_refs,G.num_vertices()): + # The number of reference sequences is len(rlist) + # These are the first len(rlist) vertices in the graph + # Queries that have been added have indices >len(rlist) + # Therefore these are the components to retain + for i in range(len(rlist),G.num_vertices()): v = G.vertex(i) # Access vertex by index components_with_query.add(component_dict[v]) # Create a boolean filter based on the list of component IDs From 8f28b0fafbef61bc1697b284017d0a653a4abf86 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Wed, 6 Nov 2024 19:58:02 +0000 Subject: [PATCH 34/39] Remove debugging statement --- PopPUNK/plot.py | 1 - 1 file changed, 1 deletion(-) diff --git a/PopPUNK/plot.py b/PopPUNK/plot.py index a065b173..26663c62 100644 --- a/PopPUNK/plot.py +++ b/PopPUNK/plot.py @@ -556,7 +556,6 @@ def outputsForCytoscape(G, G_mst, isolate_names, clustering, outPrefix, epiCsv, else: suffix = suffix + '_cytoscape' if use_partial_query_graph is None: - sys.stderr.write('In here\n') save_network(G, prefix = outPrefix, suffix = suffix, use_graphml = True) # Save each component too (useful for very large graphs) From 0b94b2dc2d1f8da9d7f22565e4a7b4c605dbc2a2 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Wed, 6 Nov 2024 20:10:02 +0000 Subject: [PATCH 35/39] Improve error messaging --- src/extend.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/extend.cpp b/src/extend.cpp index f96d96d9..9e7d9054 100644 --- a/src/extend.cpp +++ b/src/extend.cpp @@ -112,8 +112,8 @@ sparse_coo extend(const sparse_coo &sparse_rr_mat, dist = rr_dists[*rr_it]; ++rr_it; } else { - printf("Insufficient distances for specified kNN value; try reducing the maximum search depth"); - break; + std::cerr << "Insufficient distances for specified kNN value; try reducing the maximum search depth" << std::endl; + pybind11::key_error(); } if (j == i) { From e8f28d665bcd55c53d7fa6b689837d70bfda9efc Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Wed, 6 Nov 2024 20:44:36 +0000 Subject: [PATCH 36/39] Fix function renaming --- PopPUNK/assign.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PopPUNK/assign.py b/PopPUNK/assign.py index cbc00070..a2fc348f 100644 --- a/PopPUNK/assign.py +++ b/PopPUNK/assign.py @@ -367,7 +367,7 @@ def assign_query_hdf5(dbFuncs, from .network import get_vertex_list from .network import printExternalClusters from .network import vertex_betweenness - from .network import remove_non_query_components + from .network import retain_only_query_clusters from .qc import sketchlibAssemblyQC from .plot import writeClusterCsv From 6d32dcc17f2ee854d7e6efd49d20a9c863834c72 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Wed, 6 Nov 2024 20:47:04 +0000 Subject: [PATCH 37/39] Add explanation for max search depth --- PopPUNK/models.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/PopPUNK/models.py b/PopPUNK/models.py index 3b9549e9..279d6e6b 100644 --- a/PopPUNK/models.py +++ b/PopPUNK/models.py @@ -1124,7 +1124,9 @@ def __init__(self, outPrefix, ranks, max_search_depth, reciprocal_only, count_un ClusterFit.__init__(self, outPrefix) self.type = 'lineage' self.preprocess = False - self.max_search_depth = max_search_depth+5 + self.max_search_depth = max_search_depth+5 # Set to highest rank by default in main; need to store additional distances + # when there is redundancy (e.g. reciprocal matching, unique distance counting) + # or other sequences may be pruned out of the database self.nn_dists = None # stores the unprocessed kNN at the maximum search depth self.ranks = [] for rank in sorted(ranks): From 727776dda8143ec2969217674d9ca1094ee8c73d Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Wed, 6 Nov 2024 20:51:00 +0000 Subject: [PATCH 38/39] Align statement --- test/test-update.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/test/test-update.py b/test/test-update.py index 067216be..e5870ac1 100755 --- a/test/test-update.py +++ b/test/test-update.py @@ -83,7 +83,7 @@ def old_get_seq_tuples(rows,cols): with open("batch2/batch2.dists.pkl", 'rb') as pickle_file: rlist2, qlist, self = pickle.load(pickle_file) - # Check sparse distances after one query + # Check sparse distances after one query with open("batch12/batch12.dists.pkl", 'rb') as pickle_file: rlist1, qlist1, self = pickle.load(pickle_file) S1 = scipy.sparse.load_npz("batch12/batch12_rank_2_fit.npz") From 6464fcd67be5f55a2a384a137d0dbbc8ba1c8c95 Mon Sep 17 00:00:00 2001 From: Nick Croucher Date: Wed, 6 Nov 2024 20:55:27 +0000 Subject: [PATCH 39/39] Rename function consistently --- PopPUNK/assign.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/PopPUNK/assign.py b/PopPUNK/assign.py index a2fc348f..13e5beee 100644 --- a/PopPUNK/assign.py +++ b/PopPUNK/assign.py @@ -367,7 +367,7 @@ def assign_query_hdf5(dbFuncs, from .network import get_vertex_list from .network import printExternalClusters from .network import vertex_betweenness - from .network import retain_only_query_clusters + from .network import remove_non_query_components from .qc import sketchlibAssemblyQC from .plot import writeClusterCsv @@ -801,7 +801,7 @@ def assign_query_hdf5(dbFuncs, else: storePickle(rNames, qNames, False, qrDistMat, dists_out) if save_partial_query_graph: - genomeNetwork, pruned_isolate_lists = retain_only_query_clusters(genomeNetwork, rNames, qNames, use_gpu = gpu_graph) + genomeNetwork, pruned_isolate_lists = remove_non_query_components(genomeNetwork, rNames, qNames, use_gpu = gpu_graph) if model.type == 'lineage' and not serial: save_network(genomeNetwork[min(model.ranks)], prefix = output, suffix = '_graph', use_gpu = gpu_graph) else: