def cache_pathway(path_id):
""" Lookup and/or cache pathway """
result = DataStore.get_entry("pathways").exec_query("pathway-lookup", [path_id]).fetchone()
if result:
# Cache hit
return parse_kegg(result[0])
# Cache miss
pathway_raw = retrieve_kegg(path_id)
DataStore.get_entry("pathways").insert_rows("pathway", [(path_id, pathway_raw)])
return parse_kegg(pathway_raw)
def cache_enzyme(enzyme_id):
""" Lookup and/or cache enzyme """
result = DataStore.get_entry("pathways").exec_query("enzyme-lookup", [enzyme_id]).fetchone()
if result:
# Cache hit
return parse_kegg(result[0])
# Cache miss
enzyme_raw = retrieve_kegg(enzyme_id)
DataStore.get_entry("pathways").insert_rows("enzyme", [(enzyme_id, enzyme_raw)])
return parse_kegg(enzyme_raw)
def build_tree(entries):
""" Create tree structure out of taxon lineage data """
ret_tree = {"name": "all", "children": dict(), "enzymes": Counter()}
for entry in entries:
result = DataStore.get_entry("taxonomy").exec_query("lineage-lookup", [entry[0]]).fetchone()
if not result:
continue
raw_lineage = result[0]
# If a UniProt species-level species ID (non 9CCCC), append species to lineage
if not entry[0].startswith("9"):
raw_lineage += ";{0}".format(entry[1])
ranks = raw_lineage.split(";")
parent = ret_tree["children"]
for rank in ranks:
rank = "Unknown" if rank == "" else rank.strip()
# Initialize dictionary for this rank, add child values
parent.setdefault(rank, {"name": rank, "children": dict(), "enzymes": Counter()})
parent[rank]["enzymes"] += Counter(entries[entry])
parent = parent[rank]["children"]
# Update root level
ret_tree["enzymes"] += Counter(entries[entry])
return ret_tree
def treeify_lineage(taxa_entries, taxa_count):
""" Create tree structure out of taxa/lineage data """
ret_tree = (dict(), taxa_count)
for taxon in taxa_entries:
result = DataStore.get_entry("taxonomy").exec_query(
"lineage-lookup", [taxon[0]]).fetchone()
if not result:
continue
raw_lineage = result[0]
ranks = raw_lineage.split(";")
parent = ret_tree[0]
for rank in ranks:
rank = rank.strip()
# Start new dictionary, initialize size cache
if rank not in parent:
parent[rank] = (dict(), 0)
parent[rank] = (parent[rank][0],
parent[rank][1] + taxa_entries[taxon])
parent = parent[rank][0]
return ret_tree
def taxonomy_init():
# Setup FileStore
FileStore("taxonomy-db", "taxonomy-db", "taxonomy.db", None,
FileStore.FTYPE_CACHE, FileStore.FOPT_NORMAL)
FileStore("taxonomy-lineage", "taxonomy-lineage", "taxonomy-lineage.dat",
"http://www.uniprot.org/taxonomy/?query=&sort=score&format=tab",
FileStore.FTYPE_TEMP, FileStore.FOPT_NORMAL)
# Setup DataStore
DataStore("taxonomy", FileStore.get_entry("taxonomy-db").path)
DataStore.get_entry("taxonomy").create_table(
"lineage", [("mnemonic", "text", "PRIMARY KEY"),
("lineage", "text", "")])
DataStore.get_entry("taxonomy").define_query(
"lineage-lookup", "SELECT lineage FROM lineage WHERE mnemonic = ?")
# Populate database
populate_database()
def render_sequences(cluster_ids):
""" Retrieve all members of requested UniRef90 clusters and render fasta data """
# Prepare all sequence files for reading
for entry in FileStore.get_group("decluster-seqs"):
entry.get_handle("rt")
for cluster_id in cluster_ids:
for result in DataStore.get_entry("crossref").exec_query(
"uniprot_cross_acc", ("UniRef90", cluster_id)).fetchmany():
core.main.send_output(get_sequence(result[0]), "stdout", "")
def decluster_init():
# Setup FileStore
FileStore("decluster-db", "decluster-db", "decluster.db", None,
FileStore.FTYPE_CACHE, FileStore.FOPT_NORMAL)
FileStore(
"decluster-seqs", "decluster-swissprot",
"decluster_uniprot_sprot.fasta.gz",
"ftp://ftp.uniprot.org/pub/databases/uniprot/current_release/knowledgebase/complete/uniprot_sprot.fasta.gz",
FileStore.FTYPE_CACHE, FileStore.FOPT_GZIP_DECOMPRESS)
FileStore(
"decluster-seqs", "decluster-trembl",
"decluster_uniprot_trembl.fasta.gz",
"ftp://ftp.uniprot.org/pub/databases/uniprot/current_release/knowledgebase/complete/uniprot_trembl.fasta.gz",
FileStore.FTYPE_CACHE, FileStore.FOPT_GZIP_DECOMPRESS)
# Setup DataStore
DataStore("decluster", FileStore.get_entry("decluster-db").path)
DataStore.get_entry("decluster").create_table(
"indices", [("id", "text", "PRIMARY KEY"), ("file", "text", ""),
("pos", "integer", "")])
DataStore.get_entry("decluster").define_query(
"index-lookup", "SELECT file, pos FROM indices WHERE id = ?")
populate_database()
def filter_taxa(taxa, pattern):
""" Filter taxa having a specific taxonomic rank (as regex) """
ret_taxa = dict()
ret_count = 0
for taxon in taxa:
result = DataStore.get_entry("taxonomy").exec_query(
"lineage-lookup", [taxon[0]]).fetchone()
lineage = result[0] if result else "Unknown"
if re.search(pattern, lineage):
ret_taxa[taxon] = taxa[taxon]
ret_count += taxa[taxon]
return ret_taxa, ret_count
def group_sam(data, sam_file, species):
""" Group SAM reads per taxonomic rank """
retData = dict()
# Simplify species lookup keys
species_lookup = {item[0]: item[1] for item in species}
# Read SAM entries
entries = SamEntry.get_entries(sam_file, 0)
for entry in entries:
reference = entries[entry].reference
# Currently only handles UniProt
if "_" not in reference:
continue
mnemonic = reference.split("_")[1]
# Skip entries that are too ambiguous (e.g. 9ZZZZ) or recently moved by UniProt
if mnemonic not in species_lookup:
continue
result = DataStore.get_entry("taxonomy").exec_query(
"lineage-lookup", [mnemonic]).fetchone()
if not result:
continue
# Combine lineage and species for lookup into taxonomy results
lineage = [item.strip() for item in result[0].split(";")]
lineage.append(species_lookup[mnemonic])
for rank in lineage:
if rank in data:
query = entries[entry].query
if query not in retData:
retData[query] = list()
retData[query].append(rank)
return retData
def get_sequence(acc):
""" Lookup sequence for given acc """
result = DataStore.get_entry("decluster").exec_query(
"index-lookup", [acc]).fetchone()
if not result:
core.main.send_output(
"Sequence not found for UniProt accession '{0}'".format(acc))
sys.exit(1)
# Seek the index position in the appropriate file
handle = FileStore.get_entry(result[0], "decluster-seqs").get_handle()
handle.seek(result[1])
# Append sequence data until next header
ret_seq = ""
for line in handle:
if line.startswith(">") and ret_seq:
break
ret_seq += line
return ret_seq
def pathways_init():
# Setup FileStore
FileStore("pathways-db", "pathways-db", "pathways.db", None, FileStore.FTYPE_CACHE, FileStore.FOPT_NORMAL)
# Setup DataStore
DataStore("pathways", FileStore.get_entry("pathways-db").path)
DataStore.get_entry("pathways").create_table("enzyme", [("ec", "text", "PRIMARY KEY"), ("pathway", "text", "")])
DataStore.get_entry("pathways").create_table("pathway", [("pathway", "text", "PRIMARY KEY"), ("info", "text", "")])
DataStore.get_entry("pathways").define_query("enzyme-lookup", "SELECT pathway FROM enzyme WHERE ec = ?")
DataStore.get_entry("pathways").define_query("pathway-lookup", "SELECT info FROM pathway WHERE pathway = ?")
# Check for expired database
if DataStore.get_entry("pathways").get_expired("enzyme", 30):
DataStore.get_entry("pathways").delete_rows("enzyme")
DataStore.get_entry("pathways").delete_rows("pathway")
DataStore.get_entry("pathways").update_age("enzyme")
def combined_compare(taxonomy_entries, sam_entries, uniprot_entries,
pass_total):
""" Combined compare breaks down taxonomy report on per read basis, then aggregates """
ret_entries = dict()
# Calculate unmapped difference and add to taxonomy set
unmapped_diff = 0
for sam_entry in sam_entries:
for set_idx in range(2):
if sam_entry[set_idx] == "*":
if set_idx == 0:
pass_total += 1
unmapped_diff += [1, -1][set_idx]
# Add unmapped entry to taxonomy list
taxonomy_entries["Unmapped"] = unmapped_diff
# Iterate through each taxonomy grouping
for taxon_entry in taxonomy_entries:
# Skip unchanged entries
if taxonomy_entries[taxon_entry] == 0:
continue
# Prepare entry if new
if taxon_entry not in ret_entries:
ret_entries[taxon_entry] = (dict(), taxonomy_entries[taxon_entry] /
pass_total)
# Scan SAM entries for matching lineage
for sam_entry in sam_entries:
# Lookup species and lineage
sam_records = list()
lineage = list()
for set_idx in range(2):
if sam_entry[set_idx] == "*":
miss_record = type("miss_record", (object, ), {})()
miss_record.species_id = "Unmapped"
miss_record.species_full = "Unmapped"
sam_records.append(miss_record)
lineage.append("Unmapped")
else:
sam_records.append(uniprot_entries[set_idx][
sam_entry[set_idx].split("|")[-1]])
species_id = sam_records[set_idx].species_id
result = DataStore.get_entry("taxonomy").exec_query(
"lineage-lookup", [species_id]).fetchone()
if result:
lineage.append(
[x.strip() for x in result[0].split(";")])
else:
lineage.append("Unknown")
for set_idx in range(2):
# Attempt to match on species
if sam_records[set_idx].species_full == taxon_entry:
sam_species = sam_records[1 - set_idx].species_full
sam_amount = [1, -1][set_idx] * sam_entries[sam_entry]
if sam_species not in ret_entries[taxon_entry][0]:
ret_entries[taxon_entry][0][sam_species] = (0, 0)
sam_parts = ret_entries[taxon_entry][0][sam_species]
if sam_amount > 0:
ret_entries[taxon_entry][0][sam_species] = (
sam_parts[0] + sam_amount, sam_parts[1])
else:
ret_entries[taxon_entry][0][sam_species] = (
sam_parts[0], sam_parts[1] + sam_amount)
break
# Attempt to match on lineage
for rank_idx in range(len(lineage[set_idx])):
if lineage[set_idx][rank_idx] == taxon_entry:
compare_idx = rank_idx
if compare_idx >= len(lineage[1 - set_idx]):
compare_idx = len(lineage[1 - set_idx]) - 1
sam_lineage = lineage[1 - set_idx][compare_idx]
sam_amount = [1, -1][set_idx] * sam_entries[sam_entry]
if sam_lineage not in ret_entries[taxon_entry][0]:
ret_entries[taxon_entry][0][sam_lineage] = (0, 0)
sam_parts = ret_entries[taxon_entry][0][sam_lineage]
if sam_amount > 0:
ret_entries[taxon_entry][0][sam_lineage] = (
sam_parts[0] + sam_amount, sam_parts[1])
else:
ret_entries[taxon_entry][0][sam_lineage] = (
sam_parts[0], sam_parts[1] + sam_amount)
break
# Calculate percentages
for taxonomy_entry in ret_entries:
for sam_entry in ret_entries[taxonomy_entry][0]:
sam_parts = ret_entries[taxonomy_entry][0][sam_entry]
ret_entries[taxonomy_entry][0][sam_entry] = (sam_parts[0] /
pass_total,
sam_parts[1] /
pass_total)
return ret_entries
def populate_database():
""" Populate sequence header indices """
if not DataStore.get_entry("decluster").get_expired("indices", 30):
return
core.main.send_output("Populating UniProt sequences...", "stderr")
# Start transaction and empty any existing data
DataStore.get_entry("decluster").process_trans()
DataStore.get_entry("decluster").delete_rows("indices")
# Download each sequence file
for entry in FileStore.get_group("decluster-seqs"):
entry.prepare()
with entry.get_handle("rt") as handle:
acc = ""
while True:
line = handle.readline()
if not line:
break
if line.startswith(">"):
fields = line.rstrip().split()
acc = fields[0].split("|")[1]
DataStore.get_entry("decluster").insert_rows(
"indices",
[(acc, entry.fid, handle.tell() - len(line))])
# Finalize transaction and current table age
DataStore.get_entry("decluster").process_trans()
DataStore.get_entry("decluster").update_age("indices")
def populate_database():
""" Generate (if necessary) and get lineage lookup """
if not DataStore.get_entry("taxonomy").get_expired("lineage", 30):
return
core.main.send_output("Populating taxonomic lineage data...", "stderr")
# Download tab delimited data
entry = FileStore.get_entry("taxonomy-lineage")
entry.prepare()
# Start transaction and empty any existing data
DataStore.get_entry("taxonomy").process_trans()
DataStore.get_entry("taxonomy").delete_rows("lineage")
# Iterate through downloaded table and add rows
with entry.get_handle("r") as handle:
for line in handle:
fields = line.rstrip().split("\t")
if len(fields) < 9 or fields[1] == "":
continue
# Add to database
DataStore.get_entry("taxonomy").insert_rows(
"lineage", [(fields[1], fields[8])])
# Finalize transaction and current table age
DataStore.get_entry("taxonomy").process_trans()
DataStore.get_entry("taxonomy").update_age("lineage")
def populate_database():
""" Generate cross-reference database """
if not DataStore.get_entry("crossref").get_expired("uniprot", 30):
return
core.main.send_output("Populating UniProt database cross-references...",
"stderr")
# Download tab delimited data
entry = FileStore.get_entry("crossref-uniprot")
entry.prepare()
# Start transaction and empty any existing data
DataStore.get_entry("crossref").drop_index("uniprot_acc")
DataStore.get_entry("crossref").drop_index("uniprot_acc_db")
DataStore.get_entry("crossref").drop_index("uniprot_db_cross")
DataStore.get_entry("crossref").process_trans()
DataStore.get_entry("crossref").delete_rows("uniprot")
# Iterate through downloaded table and add rows
with entry.get_handle("rt") as handle:
for line in handle:
fields = line.rstrip().split("\t")
if len(fields) < 3:
continue
# Add to database
DataStore.get_entry("crossref").insert_rows("uniprot", [fields])
# Finalize transaction and current table age
DataStore.get_entry("crossref").process_trans()
DataStore.get_entry("crossref").create_index("uniprot_acc")
DataStore.get_entry("crossref").create_index("uniprot_acc_db")
DataStore.get_entry("crossref").create_index("uniprot_db_cross")
DataStore.get_entry("crossref").update_age("uniprot")
def crossref_init():
# Setup FileStore
FileStore("crossref-db", "crossref-db", "crossref.db", None,
FileStore.FTYPE_CACHE, FileStore.FOPT_NORMAL)
FileStore(
"crossref-uniprot", "crossref-uniprot", "idmapping.dat.gz",
"ftp://ftp.uniprot.org/pub/databases/uniprot/current_release/knowledgebase/idmapping/idmapping.dat.gz",
FileStore.FTYPE_TEMP, FileStore.FOPT_GZIP)
# Setup DataStore
DataStore("crossref", FileStore.get_entry("crossref-db").get_path())
DataStore.get_entry("crossref").create_table("uniprot",
[("acc", "text", ""),
("db", "text", ""),
("cross", "text", "")])
DataStore.get_entry("crossref").define_query(
"uniprot_acc_cross",
"SELECT cross FROM uniprot WHERE acc = ? AND db = ?")
DataStore.get_entry("crossref").define_query(
"uniprot_acc_all", "SELECT db, cross FROM uniprot WHERE acc = ?")
DataStore.get_entry("crossref").define_query(
"uniprot_cross_acc",
"SELECT acc FROM uniprot WHERE db = ? AND cross = ?")
DataStore.get_entry("crossref").define_query(
"uniprot_cross_cross",
"SELECT t2.cross FROM uniprot AS t1 JOIN uniprot AS t2 ON acc WHERE t1.db = ? AND t1.cross = ? AND t2.db = ?"
)
DataStore.get_entry("crossref").define_index("uniprot_acc", "uniprot",
["acc"], False)
DataStore.get_entry("crossref").define_index("uniprot_acc_db", "uniprot",
["acc", "db"], False)
DataStore.get_entry("crossref").define_index("uniprot_db_cross", "uniprot",
["db", "cross"], False)
# Populate database
populate_database()