diff --git a/dsmz-match.py b/dsmz-match.py
new file mode 100755
index 0000000000000000000000000000000000000000..c0bdee1e289612d4e4cb29860ae74f5b49cb92df
--- /dev/null
+++ b/dsmz-match.py
@@ -0,0 +1,157 @@
+#!/bin/env python3
+
+
+import xml.etree.ElementTree as ET
+import sys
+import os
+import itertools
+import re
+
+
+def read_taxa_id(filename):
+ result = {}
+ with open(filename) as f:
+ for line in f:
+ cols = line.strip().split('\t')
+ result[cols[0]] = {
+ 'taxid': cols[1],
+ 'rank': cols[5]
+ }
+ return result
+
+
+class BacDiveEntry:
+ def __init__(self, ncbi_taxa, filename):
+ self.filename = filename
+ self.root = ET.parse(filename).getroot()
+ self.strain_number = []
+ self.species = None
+ self.is_subspecies = False
+ self.genus = None
+ self.family = None
+ self.ordo = None
+ self.class_ = None
+ self.phylum = None
+ self.domain = None
+ self.strain_number = tuple(self._get_strain_numbers())
+ self._set_taxonomy()
+ self.complete_name = tuple('%s %s' % (self.species, sn) for sn in self.strain_number)
+ self.dispatch, self.ncbi_taxid = self._dispatch(ncbi_taxa)
+ self.strain_taxid = self._get_strain_taxid()
+ self.canonical = self._get_canonical()
+
+ def _get_strain_numbers(self):
+ for sne in self.root.iterfind('./strain_availability/strains/list-item/strain_number'):
+ if sne.text is None:
+ continue
+ yield from (snt.strip() for snt in sne.text.split(','))
+ desig = self.root.findtext('./taxonomy_name/strains/list-item/designation')
+ if desig is not None and desig != '':
+ for d in re.split('[,;]', desig):
+ d = d.strip()
+ if d.startswith('ST') and d.endswith('(HKI)'):
+ n = d.replace('ST', '', 1).replace('(HKI)', '')
+ yield 'ST ' + n
+ yield 'ST' + n
+ yield d
+
+ def _set_taxonomy(self):
+ tax = self.root.find('./taxonomy_name/strains/list-item')
+ if tax is None:
+ return
+ self.species = tax.findtext('./species')
+ self.is_subspecies = bool(tax.findtext('./subspecies_epithet'))
+ self.genus = tax.findtext('./genus')
+ self.family = tax.findtext('./family')
+ self.ordo = tax.findtext('./ordo')
+ self.class_ = tax.findtext('./class')
+ self.phylum = tax.findtext('./phylum')
+ self.domain = tax.findtext('./domain')
+
+ def _get_strain_taxid(self):
+ for sn in self.strain_number:
+ if sn.startswith('DSM'):
+ return sn.lower().replace(' ', ':')
+ if len(self.strain_number) > 0:
+ return self.strain_number[0].lower().replace(' ', ':')
+ return 'bacdive:%s' % os.path.basename(self.filename).replace('.xml', '')
+
+ def _get_canonical(self):
+ for sn in self.strain_number:
+ if sn.startswith('DSM'):
+ return '%s %s' % (self.species, sn)
+ if len(self.strain_number) > 0:
+ return '%s %s' % (self.species, sn)
+ return None
+
+ def _match(self, ncbi_taxa, s, rank=None):
+ if s in ncbi_taxa:
+ taxon = ncbi_taxa[s]
+ if rank is None or taxon['rank'] == rank:
+ return taxon['taxid']
+ return None
+
+ def _dispatch(self, ncbi_taxa):
+ for n in itertools.chain(self.strain_number, self.complete_name):
+ taxid = self._match(ncbi_taxa, n, 'no rank')
+ if taxid is not None:
+ return 'equivalent', taxid
+ for n in itertools.chain(self.strain_number, self.complete_name):
+ taxid = self._match(ncbi_taxa, n)
+ if taxid is not None:
+ return 'type material', taxid
+ rank = 'subspecies' if self.is_subspecies else 'species'
+ taxid = self._match(ncbi_taxa, self.species, rank)
+ if taxid is not None:
+ return 'append', taxid
+ taxid = self._match(ncbi_taxa, self.genus, 'genus')
+ if taxid is not None:
+ return 'append-species', taxid
+ taxid = self._match(ncbi_taxa, self.family, 'family')
+ if taxid is not None:
+ return 'append-species', taxid
+ taxid = self._match(ncbi_taxa, self.ordo, 'order')
+ if taxid is not None:
+ return 'append-species', taxid
+ taxid = self._match(ncbi_taxa, self.class_, 'class')
+ if taxid is not None:
+ return 'append-species', taxid
+ taxid = self._match(ncbi_taxa, self.phylum, 'phylum')
+ if taxid is not None:
+ return 'append-species', taxid
+ taxid = self._match(ncbi_taxa, self.domain, 'superkingdom')
+ if taxid is not None:
+ return 'append-species', taxid
+ return 'fail', None
+
+
+_, NCBI_TAXA_FILE, INPUT_DIR, OUTPUT_DIR = sys.argv
+
+
+def of(fn):
+ return open(os.path.join(OUTPUT_DIR, fn), 'w')
+
+
+def line(f, sep, *cols):
+ f.write(sep.join(str(i) for i in cols))
+ f.write('\n')
+
+
+sys.stderr.write('Reading NCBI taxonomy: %s\n' % NCBI_TAXA_FILE)
+NCBI_TAXA = read_taxa_id(NCBI_TAXA_FILE)
+os.makedirs(OUTPUT_DIR, exist_ok=True)
+with of('dispatch-report.txt') as out_dispatch, of('dsmz-nodes.dmp') as out_nodes, of('dsmz-names.dmp') as out_names, of('warnings.txt') as out_warn:
+ sys.stderr.write('Reading BacDive entries: %s\n' % INPUT_DIR)
+ for dirpath, _, filenames in os.walk(INPUT_DIR):
+ for fn in filenames:
+ if not fn.endswith('.xml'):
+ continue
+ e = BacDiveEntry(NCBI_TAXA, os.path.join(dirpath, fn))
+ line(out_dispatch, '\t', e.filename, e.dispatch, e.ncbi_taxid)
+ if e.dispatch == 'append':
+ line(out_nodes, '\t|\t', e.strain_taxid, e.ncbi_taxid, 'no rank', '', 0, 1, 11, 1, 0, 1, 1, 0)
+ if e.canonical is None:
+ line(out_warn, '\t', e.filename, 'no canonical')
+ else:
+ for name in itertools.chain(e.strain_number, e.complete_name):
+ line(out_names, '\t|\t', e.strain_taxid, name, '', 'scientific name' if name == e.canonical else 'strain number')
diff --git a/dsmz-match.snakefile b/dsmz-match.snakefile
index bb0bc9255b4b9472b1db786ff7af9c8f8b007834..a5fba2eedb6e614d9a0d3ff5b49688395dc19350 100644
--- a/dsmz-match.snakefile
+++ b/dsmz-match.snakefile
@@ -13,4 +13,4 @@ rule match:
input:
config['OUTDIR'] + '/' + config['DSMZ_STRAINS_DIR']
- shell: '''{config[ALVISNLP]} -xalias '<input recursive="true">{input}</input>' -alias taxaFile {config[TAXA_FILE]} -outputDir {output} dsmz-match.plan'''
+ shell: '''./dsmz-match.py {config[TAXA_FILE]} {input} {output}'''