def parse_qresult(self):
"""Parse a HMMER2 query block."""
while self.read_next():
if not self.line.startswith('Query'):
return
_, id_ = self.parse_key_value()
self.qresult = QueryResult(id=id_)
description = None
while self.read_next() and not self.line.startswith('Scores'):
if self.line.startswith('Accession'):
self.qresult.accession = self.parse_key_value()[1]
if self.line.startswith('Description'):
description = self.parse_key_value()[1]
hit_placeholders = self.parse_hits()
if len(hit_placeholders) > 0:
self.parse_hsps(hit_placeholders)
self.parse_hsp_alignments()
while not self.line.startswith('Query'):
self.read_next()
if not self.line:
break
self.buf.append(self.line)
if description is not None:
self.qresult.description = description
yield self.qresult
def _parse_qresult(self):
"""Parses a HMMER3 query block."""
self._read_until(lambda line: line.startswith('Query:'))
while self.line:
# get query id and length
regx = re.search(_QRE_ID_LEN, self.line)
qid = regx.group(1).strip()
# store qresult attributes
qresult_attrs = {
'seq_len': int(regx.group(2)),
'program': self._meta.get('program'),
'version': self._meta.get('version'),
'target': self._meta.get('target'),
}
# get description and accession, if they exist
desc = '' # placeholder
while not self.line.startswith('Scores for '):
self.line = read_forward(self.handle)
if self.line.startswith('Accession:'):
acc = self.line.strip().split(' ', 1)[1]
qresult_attrs['accession'] = acc.strip()
elif self.line.startswith('Description:'):
desc = self.line.strip().split(' ', 1)[1]
qresult_attrs['description'] = desc.strip()
# parse the query hits
while self.line and '//' not in self.line:
hit_list = self._parse_hit(qid)
# read through the statistics summary
# TODO: parse and store this information?
if self.line.startswith('Internal pipeline'):
while self.line and '//' not in self.line:
self.line = read_forward(self.handle)
# create qresult, set its attributes and yield
# not initializing hit_list directly to handle empty hits
# (i.e. need to set its query description manually)
qresult = QueryResult(id=qid)
for hit in hit_list:
if not hit:
hit.query_description = qresult.description
qresult.append(hit)
for attr, value in qresult_attrs.items():
setattr(qresult, attr, value)
yield qresult
self.line = read_forward(self.handle)
def _parse_qresult(self):
"""Parses a HMMER3 query block."""
self._read_until(lambda line: line.startswith('Query:'))
while self.line:
# get query id and length
regx = re.search(_QRE_ID_LEN, self.line)
qid = regx.group(1).strip()
# store qresult attributes
qresult_attrs = {
'seq_len': int(regx.group(2)),
'program': self._meta.get('program'),
'version': self._meta.get('version'),
'target': self._meta.get('target'),
}
# get description and accession, if they exist
desc = '' # placeholder
while not self.line.startswith('Scores for '):
self.line = read_forward(self.handle)
if self.line.startswith('Accession:'):
acc = self.line.strip().split(' ', 1)[1]
qresult_attrs['accession'] = acc.strip()
elif self.line.startswith('Description:'):
desc = self.line.strip().split(' ', 1)[1]
qresult_attrs['description'] = desc.strip()
# parse the query hits
while self.line and '//' not in self.line:
hit_list = self._parse_hit(qid)
# read through the statistics summary
# TODO: parse and store this information?
if self.line.startswith('Internal pipeline'):
while self.line and '//' not in self.line:
self.line = read_forward(self.handle)
# create qresult, set its attributes and yield
# not initializing hit_list directly to handle empty hits
# (i.e. need to set its query description manually)
qresult = QueryResult(id=qid)
for hit in hit_list:
if not hit:
hit.query_description = qresult.description
qresult.append(hit)
for attr, value in qresult_attrs.items():
setattr(qresult, attr, value)
yield qresult
self.line = read_forward(self.handle)
def _create_qresult(self, hit_blocks):
"""Create the Biopython data structures from the parsed data (PRIVATE)."""
query_id = self.query_id
hit_dict = OrderedDict()
for output_index, block in enumerate(hit_blocks):
hit_id = block['hit_id']
frag = HSPFragment(hit_id, query_id)
# frag.alphabet = generic_protein
if block['query_start']:
frag.query_start = block['query_start'] - 1
else:
frag.query_start = block['query_start']
frag.query_end = block['query_end']
if block['hit_start']:
frag.hit_start = block['hit_start'] - 1
else:
frag.hit_start = block['hit_start']
frag.hit_end = block['hit_end']
frag.hit = block['hit_seq']
frag.query = block['query_seq']
hsp = HSP([frag])
hsp.hit_id = hit_id
hsp.output_index = output_index
hsp.query_id = query_id
hsp.hit_description = block['description']
is_included = True # Should everything should be included?
hsp.is_included = is_included
hsp.evalue = block['evalue']
hsp.score = block['score']
hsp.prob = block['prob']
hsp.hit_seq_len = block['hit_seq_len']
hsp.text = block['text']
if hit_id not in hit_dict:
hit = Hit([hsp], hit_id)
hit.description = block['description']
hit.is_included = is_included
hit.evalue = block['evalue']
hit.score = block['score']
hit_dict[hit_id] = hit
else:
hit_dict[hit_id].append(hsp)
qresult = QueryResult(hit_dict.values(), query_id)
qresult.program = _PROGRAM
qresult.seq_len = self.seq_len
return [qresult]
def parse_qresult(self):
"""Parse a HMMER2 query block."""
while self.read_next():
if not self.line.startswith('Query'):
raise StopIteration()
_, id_ = self.parse_key_value()
self.qresult = QueryResult(id=id_)
description = None
while self.read_next() and not self.line.startswith('Scores'):
if self.line.startswith('Accession'):
self.qresult.accession = self.parse_key_value()[1]
if self.line.startswith('Description'):
description = self.parse_key_value()[1]
hit_placeholders = self.parse_hits()
if len(hit_placeholders) > 0:
self.parse_hsps(hit_placeholders)
self.parse_hsp_alignments()
while not self.line.startswith('Query'):
self.read_next()
if not self.line:
break
self.buf.append(self.line)
if description is not None:
self.qresult.description = description
yield self.qresult
def _parse_qresult(self):
"""Parse query results (PRIVATE)."""
for event, elem in self.xml_iter:
if event == "end" and elem.tag == self.NS + "protein":
# store the query sequence
seq = elem.find(self.NS + "sequence")
query_seq = seq.text
# store the query id and description
xref = elem.find(self.NS + "xref")
query_id = xref.attrib["id"]
query_desc = xref.attrib["name"]
# parse each hit
hit_list = []
for hit_new in self._parse_hit(
elem.find(self.NS + "matches"), query_id, query_seq):
# interproscan results contain duplicate hits rather than
# a single hit with multiple hsps. In this case the hsps
# of a duplicate hit will be appended to the already
# existing hit
for hit in hit_list:
if hit.id == hit_new.id:
for hsp in hit_new.hsps:
hit.hsps.append(hsp)
break
else:
hit_list.append(hit_new)
# create qresult and assing attributes
qresult = QueryResult(hit_list, query_id)
setattr(qresult, "description", query_desc)
for key, value in self._meta.items():
setattr(qresult, key, value)
yield qresult
def _parse_qresult(self):
"""Parses a HMMER3 query block."""
self._read_until(lambda line: line.startswith('Query:'))
while self.line:
# get query id and length
regx = re.search(_QRE_ID_LEN, self.line)
qid = regx.group(1).strip()
# store qresult attributes
qresult_attrs = {
'seq_len': int(regx.group(2)),
'program': self._meta.get('program'),
'version': self._meta.get('version'),
'target': self._meta.get('target'),
}
# get description and accession, if they exist
qdesc = '<unknown description>' # placeholder
while not self.line.startswith('Scores for '):
self.line = read_forward(self.handle)
if self.line.startswith('Accession:'):
acc = self.line.strip().split(' ', 1)[1]
qresult_attrs['accession'] = acc.strip()
elif self.line.startswith('Description:'):
qdesc = self.line.strip().split(' ', 1)[1].strip()
qresult_attrs['description'] = qdesc
# parse the query hits
while self.line and '//' not in self.line:
hit_list = self._parse_hit(qid, qdesc)
# read through the statistics summary
# TODO: parse and store this information?
if self.line.startswith('Internal pipeline'):
while self.line and '//' not in self.line:
self.line = read_forward(self.handle)
# create qresult, set its attributes and yield
# not initializing hit_list directly to handle empty hits
# (i.e. need to set its query description manually)
qresult = QueryResult(id=qid, hits=hit_list)
for attr, value in qresult_attrs.items():
setattr(qresult, attr, value)
yield qresult
self.line = read_forward(self.handle)
# Skip line beginning with '# Alignment of', which are output
# when running phmmer with the '-A' flag.
if self.line.startswith('# Alignment of'):
self.line = self.handle.readline()
# HMMER >= 3.1 outputs '[ok]' at the end of all results file,
# which means we can break the main loop when we see the line
if '[ok]' in self.line:
break
def _create_qresult(self, hit_blocks):
"""Create the Biopython data structures from the parsed data (PRIVATE)."""
query_id = self.query_id
hit_dict = OrderedDict()
for output_index, block in enumerate(hit_blocks):
hit_id = block['hit_id']
frag = HSPFragment(hit_id, query_id)
frag.alphabet = generic_protein
frag.query_start = block['query_start'] - 1
frag.query_end = block['query_end']
frag.hit_start = block['hit_start'] - 1
frag.hit_end = block['hit_end']
frag.hit = block['hit_seq']
frag.query = block['query_seq']
hsp = HSP([frag])
hsp.hit_id = hit_id
hsp.output_index = output_index
hsp.query_id = query_id
hsp.hit_description = block['description']
is_included = True # Should everything should be included?
hsp.is_included = is_included
hsp.evalue = block['evalue']
hsp.score = block['score']
hsp.prob = block['prob']
if hit_id not in hit_dict:
hit = Hit([hsp], hit_id)
hit.description = block['description']
hit.is_included = is_included
hit.evalue = block['evalue']
hit.score = block['score']
hit_dict[hit_id] = hit
else:
hit_dict[hit_id].append(hsp)
qresult = QueryResult(hit_dict.values(), query_id)
qresult.program = _PROGRAM
qresult.seq_len = self.seq_len
return [qresult]
def _create_qresult(self, hit_blocks):
"""Create the Biopython data structures from the parsed data (PRIVATE)."""
query_id = self.query_id
hit_dict = OrderedDict()
for output_index, block in enumerate(hit_blocks):
hit_id = block["hit_id"]
frag = HSPFragment(hit_id, query_id)
frag.molecule_type = "protein"
frag.query_start = block["query_start"] - 1
frag.query_end = block["query_end"]
frag.hit_start = block["hit_start"] - 1
frag.hit_end = block["hit_end"]
frag.hit = block["hit_seq"]
frag.query = block["query_seq"]
hsp = HSP([frag])
hsp.hit_id = hit_id
hsp.output_index = output_index
hsp.query_id = query_id
hsp.hit_description = block["description"]
is_included = True # Should everything should be included?
hsp.is_included = is_included
hsp.evalue = block["evalue"]
hsp.score = block["score"]
hsp.prob = block["prob"]
if hit_id not in hit_dict:
hit = Hit([hsp], hit_id)
hit.description = block["description"]
hit.is_included = is_included
hit.evalue = block["evalue"]
hit.score = block["score"]
hit_dict[hit_id] = hit
else:
hit_dict[hit_id].append(hsp)
qresult = QueryResult(hit_dict.values(), query_id)
qresult.program = _PROGRAM
qresult.seq_len = self.seq_len
return [qresult]
def _parse_commented_qresult(self):
"""Iterator returning `QueryResult` objects from a commented file."""
while True:
comments = self._parse_comments()
if comments:
try:
self.fields = comments['fields']
# iterator for the query results
qres_iter = self._parse_qresult()
except KeyError:
# no fields means the query has no results
assert 'fields' not in comments
# create an iterator returning one empty qresult
# if the query has no results
qres_iter = iter([QueryResult('')])
for qresult in qres_iter:
for key, value in comments.items():
setattr(qresult, key, value)
yield qresult
else: break
def _parse_qresult(self):
"""Generator function that returns QueryResult objects."""
# state values, determines what to do for each line
state_EOF = 0
state_QRES_NEW = 1
state_QRES_SAME = 3
state_HIT_NEW = 2
state_HIT_SAME = 4
# initial dummy values
qres_state = None
file_state = None
prev_qid, prev_hid = None, None
cur, prev = None, None
hit_list, hsp_list = [], []
while True:
# store previous line's parsed values for all lines after the first
if cur is not None:
prev = cur
prev_qid = cur_qid
prev_hid = cur_hid
# only parse the result row if it's not EOF
if self.line:
cur = self._parse_row()
cur_qid = cur['qname']
cur_hid = cur['tname']
else:
file_state = state_EOF
# mock values, since we have nothing to parse
cur_qid, cur_hid = None, None
# get the state of hit and qresult
if prev_qid != cur_qid:
qres_state = state_QRES_NEW
else:
qres_state = state_QRES_SAME
# new hits are hits with different ids or hits in a new qresult
if prev_hid != cur_hid or qres_state == state_QRES_NEW:
hit_state = state_HIT_NEW
else:
hit_state = state_HIT_SAME
if prev is not None:
# create fragment and HSP and set their attributes
hsp = _create_hsp(prev_hid, prev_qid, prev)
hsp_list.append(hsp)
if hit_state == state_HIT_NEW:
# create Hit and set its attributes
hit = Hit(hsp_list)
hit.seq_len = prev['tsize']
hit_list.append(hit)
hsp_list = []
# create qresult and yield if we're at a new qresult or at EOF
if qres_state == state_QRES_NEW or file_state == state_EOF:
qresult = QueryResult(prev_qid)
for hit in hit_list:
qresult.absorb(hit)
qresult.seq_len = prev['qsize']
yield qresult
# if we're at EOF, break
if file_state == state_EOF:
break
hit_list = []
self.line = self.handle.readline()
def _parse_qresult(self):
# initial qresult value
qresult = None
hit_rows = []
# state values
state_QRES_NEW = 1
state_QRES_HITTAB = 3
state_QRES_CONTENT = 5
state_QRES_END = 7
while True:
# one line before the hit table
if self.line.startswith('The best scores are:'):
qres_state = state_QRES_HITTAB
# the end of a query or the file altogether
elif self.line.strip() == '>>>///' or not self.line:
qres_state = state_QRES_END
# the beginning of a new query
elif not self.line.startswith('>>>') and '>>>' in self.line:
qres_state = state_QRES_NEW
# the beginning of the query info and its hits + hsps
elif self.line.startswith('>>>') and not \
self.line.strip() == '>>><<<':
qres_state = state_QRES_CONTENT
# default qres mark
else:
qres_state = None
if qres_state is not None:
if qres_state == state_QRES_HITTAB:
# parse hit table if flag is set
hit_rows = self.__parse_hit_table()
elif qres_state == state_QRES_END:
yield _set_qresult_hits(qresult, hit_rows)
break
elif qres_state == state_QRES_NEW:
# if qresult is filled, yield it first
if qresult is not None:
yield _set_qresult_hits(qresult, hit_rows)
regx = re.search(_RE_ID_DESC_SEQLEN, self.line)
query_id = regx.group(1)
seq_len = regx.group(3)
desc = regx.group(2)
qresult = QueryResult(id=query_id)
qresult.seq_len = int(seq_len)
# get target from the next line
self.line = self.handle.readline()
qresult.target = [x for x in self.line.split(' ') if x][1].strip()
if desc is not None:
qresult.description = desc
# set values from preamble
for key, value in self._preamble.items():
setattr(qresult, key, value)
elif qres_state == state_QRES_CONTENT:
assert self.line[3:].startswith(qresult.id), self.line
for hit, strand in self._parse_hit(query_id):
# HACK: re-set desc, for hsp hit and query description
hit.description = hit.description
hit.query_description = qresult.description
# if hit is not in qresult, append it
if hit.id not in qresult:
qresult.append(hit)
# otherwise, it might be the same hit with a different strand
else:
# make sure strand is different and then append hsp to
# existing hit
for hsp in hit.hsps:
assert strand != hsp.query_strand
qresult[hit.id].append(hsp)
self.line = self.handle.readline()
def _parse_qresult(self):
# state values
state_EOF = 0
state_QRES_NEW = 1
state_QRES_SAME = 3
state_HIT_NEW = 2
state_HIT_SAME = 4
# initial dummies
qres_state, hit_state = None, None
file_state = None
cur_qid, cur_hid = None, None
prev_qid, prev_hid = None, None
cur, prev = None, None
hit_list, hsp_list = [], []
# if the file has c4 alignments, use that as the alignment mark
if self.has_c4_alignment:
self._ALN_MARK = 'C4 Alignment:'
while True:
self.read_until(lambda line: line.startswith(self._ALN_MARK))
if cur is not None:
prev = cur
prev_qid = cur_qid
prev_hid = cur_hid
# only parse the result row if it's not EOF
if self.line:
assert self.line.startswith(self._ALN_MARK), self.line
# create temp dicts for storing parsed values
header = {'qresult': {}, 'hit': {}, 'hsp': {}}
# if the file has c4 alignments, try to parse the header
if self.has_c4_alignment:
self.read_until(lambda line:
line.strip().startswith('Query:'))
header = self._parse_alignment_header()
# parse the block contents
cur = self.parse_alignment_block(header)
cur_qid = cur['qresult']['id']
cur_hid = cur['hit']['id']
elif not self.line or self.line.startswith('-- completed '):
file_state = state_EOF
cur_qid, cur_hid = None, None
# get the state of hit and qresult
if prev_qid != cur_qid:
qres_state = state_QRES_NEW
else:
qres_state = state_QRES_SAME
# new hits are hits with different ids or hits in a new query
if prev_hid != cur_hid or qres_state == state_QRES_NEW:
hit_state = state_HIT_NEW
else:
hit_state = state_HIT_SAME
if prev is not None:
hsp = _create_hsp(prev_hid, prev_qid, prev['hsp'])
hsp_list.append(hsp)
if hit_state == state_HIT_NEW:
hit = Hit(hsp_list)
for attr, value in prev['hit'].items():
setattr(hit, attr, value)
hit_list.append(hit)
hsp_list = []
if qres_state == state_QRES_NEW or file_state == state_EOF:
qresult = QueryResult(id=prev_qid)
for hit in hit_list:
# not using append since Exonerate may separate the
# same hit if it has different strands
qresult.absorb(hit)
for attr, value in prev['qresult'].items():
setattr(qresult, attr, value)
yield qresult
if file_state == state_EOF:
break
hit_list = []
# only readline() here if we're not parsing C4 alignments
# C4 alignments readline() is handled by its parse_alignment_block
# function
if not self.has_c4_alignment:
self.line = self.handle.readline()
class Hmmer2TextParser(object):
"""Iterator for the HMMER 2.0 text output."""
def __init__(self, handle):
self.handle = handle
self.buf = []
self._meta = self.parse_preamble()
def __iter__(self):
for qresult in self.parse_qresult():
qresult.program = self._meta.get('program')
qresult.target = self._meta.get('target')
qresult.version = self._meta.get('version')
yield qresult
def read_next(self, rstrip=True):
"""Return the next non-empty line, trailing whitespace removed"""
if len(self.buf) > 0:
return self.buf.pop()
self.line = self.handle.readline()
while self.line and rstrip and not self.line.strip():
self.line = self.handle.readline()
if self.line:
if rstrip:
self.line = self.line.rstrip()
return self.line
def push_back(self, line):
"""Un-read a line that should not be parsed yet"""
self.buf.append(line)
def parse_key_value(self):
"""Parse key-value pair separated by colon (:)"""
key, value = self.line.split(':', 1)
return key.strip(), value.strip()
def parse_preamble(self):
"""Parse HMMER2 preamble."""
meta = {}
state = "GENERIC"
while self.read_next():
if state == "GENERIC":
if self.line.startswith('hmm'):
meta['program'] = self.line.split('-')[0].strip()
elif self.line.startswith('HMMER is'):
continue
elif self.line.startswith('HMMER'):
meta['version'] = self.line.split()[1]
elif self.line.count('-') == 36:
state = "OPTIONS"
continue
assert state == "OPTIONS"
assert 'program' in meta
if self.line.count('-') == 32:
break
key, value = self.parse_key_value()
if meta['program'] == 'hmmsearch':
if key == 'Sequence database':
meta['target'] = value
continue
elif meta['program'] == 'hmmpfam':
if key == 'HMM file':
meta['target'] = value
continue
meta[key] = value
return meta
def parse_qresult(self):
"""Parse a HMMER2 query block."""
while self.read_next():
if not self.line.startswith('Query'):
raise StopIteration()
_, id_ = self.parse_key_value()
self.qresult = QueryResult(id=id_)
description = None
while self.read_next() and not self.line.startswith('Scores'):
if self.line.startswith('Accession'):
self.qresult.accession = self.parse_key_value()[1]
if self.line.startswith('Description'):
description = self.parse_key_value()[1]
hit_placeholders = self.parse_hits()
if len(hit_placeholders) > 0:
self.parse_hsps(hit_placeholders)
self.parse_hsp_alignments()
while not self.line.startswith('Query'):
self.read_next()
if not self.line:
break
self.buf.append(self.line)
if description is not None:
self.qresult.description = description
yield self.qresult
def parse_hits(self):
"""Parse a HMMER2 hit block, beginning with the hit table."""
hit_placeholders = []
while self.read_next():
if self.line.startswith('Parsed'):
break
if self.line.find('no hits') > -1:
break
if self.line.startswith('Sequence') or \
self.line.startswith('Model') or \
self.line.startswith('-------- '):
continue
fields = self.line.split()
id_ = fields.pop(0)
domain_obs_num = int(fields.pop())
evalue = float(fields.pop())
bitscore = float(fields.pop())
description = ' '.join(fields).strip()
hit = _HitPlaceholder()
hit.id_ = id_
hit.evalue = evalue
hit.bitscore = bitscore
hit.description = description
hit.domain_obs_num = domain_obs_num
hit_placeholders.append(hit)
return hit_placeholders
def parse_hsps(self, hit_placeholders):
"""Parse a HMMER2 hsp block, beginning with the hsp table."""
# HSPs may occur in different order than the hits
# so store Hit objects separately first
unordered_hits = {}
while self.read_next():
if self.line.startswith('Alignments') or \
self.line.startswith('Histogram') or \
self.line == '//':
break
if self.line.startswith('Model') or \
self.line.startswith('Sequence') or \
self.line.startswith('--------'):
continue
id_, domain, seq_f, seq_t, seq_compl, hmm_f, hmm_t, hmm_compl, \
score, evalue = self.line.split()
frag = HSPFragment(id_, self.qresult.id)
frag.alphabet = generic_protein
if self._meta['program'] == 'hmmpfam':
frag.hit_start = int(hmm_f) - 1
frag.hit_end = int(hmm_t)
frag.query_start = int(seq_f) - 1
frag.query_end = int(seq_t)
elif self._meta['program'] == 'hmmsearch':
frag.query_start = int(hmm_f) - 1
frag.query_end = int(hmm_t)
frag.hit_start = int(seq_f) - 1
frag.hit_end = int(seq_t)
hsp = HSP([frag])
hsp.evalue = float(evalue)
hsp.bitscore = float(score)
hsp.domain_index = int(domain.split('/')[0])
if self._meta['program'] == 'hmmpfam':
hsp.hit_endtype = hmm_compl
hsp.query_endtype = seq_compl
elif self._meta['program'] == 'hmmsearch':
hsp.query_endtype = hmm_compl
hsp.hit_endtype = seq_compl
if id_ not in unordered_hits:
placeholder = [ p for p in hit_placeholders if p.id_ == id_][0]
hit = placeholder.createHit([hsp])
unordered_hits[id_] = hit
else:
hit = unordered_hits[id_]
hsp.hit_description = hit.description
hit.append(hsp)
# The placeholder list is in the correct order, so use that order for
# the Hit objects in the qresult
for p in hit_placeholders:
self.qresult.append(unordered_hits[p.id_])
def parse_hsp_alignments(self):
"""Parse a HMMER2 HSP alignment block."""
if not self.line.startswith('Alignments'):
return
while self.read_next():
if self.line == '//' or self.line.startswith('Histogram'):
break
match = re.search(_HSP_ALIGN_LINE, self.line)
if match is None:
continue
id_ = match.group(1)
idx = int(match.group(2))
num = int(match.group(3))
hit = self.qresult[id_]
if hit.domain_obs_num != num:
continue
frag = hit[idx-1][0]
hmmseq = ''
consensus = ''
otherseq = ''
structureseq = ''
pad = 0
while self.read_next() and self.line.startswith(' '):
# if there's structure information, parse that
if self.line[16:18] == 'CS':
structureseq += self.line[19:].strip()
if not self.read_next():
break
# skip the *-> start marker if it exists
if self.line[19] == '*':
seq = self.line[22:]
pad = 3
else:
seq = self.line[19:]
pad = 0
# get rid of the end marker
if seq.endswith('<-*'):
seq = seq[:-3]
hmmseq += seq
line_len = len(seq)
if not self.read_next(rstrip=False):
break
consensus += self.line[19+pad:19+pad+line_len]
# If there's no consensus sequence, hmmer2 doesn't
# bother to put spaces here, so add extra padding
extra_padding = len(hmmseq) - len(consensus)
consensus += ' ' * extra_padding
if not self.read_next():
break
otherseq += self.line[19:].split()[0].strip()
self.push_back(self.line)
# add homology sequence to annotation
frag.aln_annotation['homology'] = consensus
# if there's structure information, add it to the fragment
if structureseq:
frag.aln_annotation['CS'] = structureseq
if self._meta['program'] == 'hmmpfam':
frag.hit = hmmseq
frag.query = otherseq
else:
frag.hit = otherseq
frag.query = hmmseq
def _parse_qresult(self):
"""Parse query result (PRIVATE)."""
# initial qresult value
qresult = None
hit_rows = []
# state values
state_QRES_NEW = 1
state_QRES_HITTAB = 3
state_QRES_CONTENT = 5
state_QRES_END = 7
while True:
# one line before the hit table
if self.line.startswith("The best scores are:"):
qres_state = state_QRES_HITTAB
# the end of a query or the file altogether
elif self.line.strip() == ">>>///" or not self.line:
qres_state = state_QRES_END
# the beginning of a new query
elif not self.line.startswith(">>>") and ">>>" in self.line:
qres_state = state_QRES_NEW
# the beginning of the query info and its hits + hsps
elif self.line.startswith(">>>") and not \
self.line.strip() == ">>><<<":
qres_state = state_QRES_CONTENT
# default qres mark
else:
qres_state = None
if qres_state is not None:
if qres_state == state_QRES_HITTAB:
# parse hit table if flag is set
hit_rows = self.__parse_hit_table()
elif qres_state == state_QRES_END:
yield _set_qresult_hits(qresult, hit_rows)
break
elif qres_state == state_QRES_NEW:
# if qresult is filled, yield it first
if qresult is not None:
yield _set_qresult_hits(qresult, hit_rows)
regx = re.search(_RE_ID_DESC_SEQLEN, self.line)
query_id = regx.group(1)
seq_len = regx.group(3)
desc = regx.group(2)
qresult = QueryResult(id=query_id)
qresult.seq_len = int(seq_len)
# get target from the next line
self.line = self.handle.readline()
qresult.target = [x for x in self.line.split(" ")
if x][1].strip()
if desc is not None:
qresult.description = desc
# set values from preamble
for key, value in self._preamble.items():
setattr(qresult, key, value)
elif qres_state == state_QRES_CONTENT:
assert self.line[3:].startswith(qresult.id), self.line
for hit, strand in self._parse_hit(query_id):
# HACK: re-set desc, for hsp hit and query description
hit.description = hit.description
hit.query_description = qresult.description
# if hit is not in qresult, append it
if hit.id not in qresult:
qresult.append(hit)
# otherwise, it might be the same hit with a different strand
else:
# make sure strand is different and then append hsp to
# existing hit
for hsp in hit.hsps:
assert strand != hsp.query_strand
qresult[hit.id].append(hsp)
self.line = self.handle.readline()
def _parse_qresult(self):
"""Return QueryResult objects (PRIVATE)."""
# state values, determines what to do for each line
state_EOF = 0
state_QRES_NEW = 1
state_QRES_SAME = 3
# initial value dummies
qres_state = None
file_state = None
prev_qid = None
cur, prev = None, None
# container for Hit objects, used to create QueryResult
hit_list = []
cur_qid = None
while True:
# store previous line's parsed values for all lines after the first
if cur is not None:
prev = cur
prev_qid = cur_qid
# only parse the result row if it's not EOF
# NOTE: we are not parsing the extra '#' lines appended to the end
# of hmmer31b1 tabular results since storing them in qresult
# objects means we can not do a single-pass parsing
if self.line and not self.line.startswith('#'):
cur = self._parse_row()
cur_qid = cur['qresult']['id']
else:
file_state = state_EOF
# mock value for cur_qid, since we have nothing to parse
cur_qid = None
if prev_qid != cur_qid:
qres_state = state_QRES_NEW
else:
qres_state = state_QRES_SAME
if prev is not None:
# since domain tab formats only have 1 Hit per line
# we always create HSPFragment, HSP, and Hit per line
prev_hid = prev['hit']['id']
# create fragment and HSP and set their attributes
frag = HSPFragment(prev_hid, prev_qid)
for attr, value in prev['frag'].items():
setattr(frag, attr, value)
hsp = HSP([frag])
for attr, value in prev['hsp'].items():
setattr(hsp, attr, value)
# create Hit and set its attributes
hit = Hit([hsp])
for attr, value in prev['hit'].items():
setattr(hit, attr, value)
hit_list.append(hit)
# create qresult and yield if we're at a new qresult or at EOF
if qres_state == state_QRES_NEW or file_state == state_EOF:
qresult = QueryResult(hit_list, prev_qid)
for attr, value in prev['qresult'].items():
setattr(qresult, attr, value)
yield qresult
# if we're at EOF, break
if file_state == state_EOF:
break
hit_list = []
self.line = self.handle.readline()
def _parse_qresult(self):
# state values
state_EOF = 0
state_QRES_NEW = 1
state_QRES_SAME = 3
state_HIT_NEW = 2
state_HIT_SAME = 4
# initial dummies
qres_state, hit_state = None, None
file_state = None
cur_qid, cur_hid = None, None
prev_qid, prev_hid = None, None
cur, prev = None, None
hit_list, hsp_list = [], []
# if the file has c4 alignments, use that as the alignment mark
if self.has_c4_alignment:
self._ALN_MARK = 'C4 Alignment:'
while True:
self.read_until(lambda line: line.startswith(self._ALN_MARK))
if cur is not None:
prev = cur
prev_qid = cur_qid
prev_hid = cur_hid
# only parse the result row if it's not EOF
if self.line:
assert self.line.startswith(self._ALN_MARK), self.line
# create temp dicts for storing parsed values
header = {'qresult': {}, 'hit': {}, 'hsp': {}}
# if the file has c4 alignments, try to parse the header
if self.has_c4_alignment:
self.read_until(
lambda line: line.strip().startswith('Query:'))
header = self._parse_alignment_header()
# parse the block contents
cur = self.parse_alignment_block(header)
cur_qid = cur['qresult']['id']
cur_hid = cur['hit']['id']
elif not self.line or self.line.startswith('-- completed '):
file_state = state_EOF
cur_qid, cur_hid = None, None
# get the state of hit and qresult
if prev_qid != cur_qid:
qres_state = state_QRES_NEW
else:
qres_state = state_QRES_SAME
# new hits are hits with different ids or hits in a new query
if prev_hid != cur_hid or qres_state == state_QRES_NEW:
hit_state = state_HIT_NEW
else:
hit_state = state_HIT_SAME
if prev is not None:
hsp = _create_hsp(prev_hid, prev_qid, prev['hsp'])
hsp_list.append(hsp)
if hit_state == state_HIT_NEW:
hit = Hit(hsp_list)
for attr, value in prev['hit'].items():
setattr(hit, attr, value)
hit_list.append(hit)
hsp_list = []
if qres_state == state_QRES_NEW or file_state == state_EOF:
qresult = QueryResult(id=prev_qid)
for hit in hit_list:
# not using append since Exonerate may separate the
# same hit if it has different strands
qresult.absorb(hit)
for attr, value in prev['qresult'].items():
setattr(qresult, attr, value)
yield qresult
if file_state == state_EOF:
break
hit_list = []
# only readline() here if we're not parsing C4 alignments
# C4 alignments readline() is handled by its parse_alignment_block
# function
if not self.has_c4_alignment:
self.line = self.handle.readline()
def _parse_qresult(self):
"""Yield QueryResult objects (PRIVATE)."""
# state values, determines what to do for each line
state_EOF = 0
state_QRES_NEW = 1
state_QRES_SAME = 3
state_HIT_NEW = 2
state_HIT_SAME = 4
# initial dummy values
qres_state = None
file_state = None
cur_qid, cur_hid = None, None
prev_qid, prev_hid = None, None
cur, prev = None, None
hit_list, hsp_list = [], []
while True:
# store previous line's parsed values for all lines after the first
if cur is not None:
prev = cur
prev_qid = cur_qid
prev_hid = cur_hid
# only parse the result row if it's not EOF
if self.line:
cur = self._parse_row()
cur_qid = cur["qname"]
cur_hid = cur["tname"]
else:
file_state = state_EOF
# mock values, since we have nothing to parse
cur_qid, cur_hid = None, None
# get the state of hit and qresult
if prev_qid != cur_qid:
qres_state = state_QRES_NEW
else:
qres_state = state_QRES_SAME
# new hits are hits with different ids or hits in a new qresult
if prev_hid != cur_hid or qres_state == state_QRES_NEW:
hit_state = state_HIT_NEW
else:
hit_state = state_HIT_SAME
if prev is not None:
# create fragment and HSP and set their attributes
hsp = _create_hsp(prev_hid, prev_qid, prev)
hsp_list.append(hsp)
if hit_state == state_HIT_NEW:
# create Hit and set its attributes
hit = Hit(hsp_list)
hit.seq_len = prev["tsize"]
hit_list.append(hit)
hsp_list = []
# create qresult and yield if we're at a new qresult or at EOF
if qres_state == state_QRES_NEW or file_state == state_EOF:
qresult = QueryResult(id=prev_qid)
for hit in hit_list:
qresult.absorb(hit)
qresult.seq_len = prev["qsize"]
yield qresult
# if we're at EOF, break
if file_state == state_EOF:
break
hit_list = []
self.line = self.handle.readline()
def _parse_qresult(self):
"""Parse a HMMER3 query block (PRIVATE)."""
self._read_until(lambda line: line.startswith("Query:"))
while self.line:
regx = re.search(_QRE_ID_LEN, self.line)
while not regx:
self.line = read_forward(self.handle)
regx = re.search(_QRE_ID_LEN, self.line)
# get query id and length
qid = regx.group(1).strip()
# store qresult attributes
qresult_attrs = {
"seq_len": int(regx.group(2)),
"program": self._meta.get("program"),
"version": self._meta.get("version"),
"target": self._meta.get("target"),
}
# get description and accession, if they exist
qdesc = "<unknown description>" # placeholder
while not self.line.startswith("Scores for "):
self.line = read_forward(self.handle)
if self.line.startswith("Accession:"):
acc = self.line.strip().split(" ", 1)[1]
qresult_attrs["accession"] = acc.strip()
elif self.line.startswith("Description:"):
qdesc = self.line.strip().split(" ", 1)[1].strip()
qresult_attrs["description"] = qdesc
# parse the query hits
while self.line and "//" not in self.line:
hit_list = self._parse_hit(qid, qdesc)
# read through the statistics summary
# TODO: parse and store this information?
if self.line.startswith("Internal pipeline"):
while self.line and "//" not in self.line:
self.line = read_forward(self.handle)
# create qresult, set its attributes and yield
# not initializing hit_list directly to handle empty hits
# (i.e. need to set its query description manually)
qresult = QueryResult(id=qid, hits=hit_list)
for attr, value in qresult_attrs.items():
setattr(qresult, attr, value)
yield qresult
self.line = read_forward(self.handle)
# Skip line beginning with '# Alignment of', which are output
# when running phmmer with the '-A' flag.
if self.line.startswith("#"):
self.line = self.handle.readline()
# HMMER >= 3.1 outputs '[ok]' at the end of all results file,
# which means we can break the main loop when we see the line
if "[ok]" in self.line:
break
def __iter__(self):
"""Iterate over BlastTextParser, yields query results."""
for rec in self.blast_iter:
# set attributes to SearchIO's
# get id and desc
if rec.query.startswith(">"):
rec.query = rec.query[1:]
try:
qid, qdesc = rec.query.split(" ", 1)
except ValueError:
qid, qdesc = rec.query, ""
qdesc = qdesc.replace("\n", "").replace("\r", "")
qresult = QueryResult(id=qid)
qresult.program = rec.application.lower()
qresult.target = rec.database
qresult.seq_len = rec.query_letters
qresult.version = rec.version
# determine molecule_type based on program
if qresult.program == "blastn":
molecule_type = "DNA"
elif qresult.program in ["blastp", "blastx", "tblastn", "tblastx"]:
molecule_type = "protein"
# iterate over the 'alignments' (hits) and the hit table
for idx, aln in enumerate(rec.alignments):
# get id and desc
if aln.title.startswith("> "):
aln.title = aln.title[2:]
elif aln.title.startswith(">"):
aln.title = aln.title[1:]
try:
hid, hdesc = aln.title.split(" ", 1)
except ValueError:
hid, hdesc = aln.title, ""
hdesc = hdesc.replace("\n", "").replace("\r", "")
# iterate over the hsps and group them in a list
hsp_list = []
for bhsp in aln.hsps:
frag = HSPFragment(hid, qid)
frag.molecule_type = molecule_type
# set alignment length
frag.aln_span = bhsp.identities[1]
# set frames
try:
frag.query_frame = int(bhsp.frame[0])
except IndexError:
if qresult.program in ("blastp", "tblastn"):
frag.query_frame = 0
else:
frag.query_frame = 1
try:
frag.hit_frame = int(bhsp.frame[1])
except IndexError:
if qresult.program in ("blastp", "tblastn"):
frag.hit_frame = 0
else:
frag.hit_frame = 1
# set query coordinates
frag.query_start = min(bhsp.query_start, bhsp.query_end) - 1
frag.query_end = max(bhsp.query_start, bhsp.query_end)
# set hit coordinates
frag.hit_start = min(bhsp.sbjct_start, bhsp.sbjct_end) - 1
frag.hit_end = max(bhsp.sbjct_start, bhsp.sbjct_end)
# set query, hit sequences and its annotation
qseq = ""
hseq = ""
midline = ""
for seqtrio in zip(bhsp.query, bhsp.sbjct, bhsp.match):
qchar, hchar, mchar = seqtrio
if qchar == " " or hchar == " ":
assert all(" " == x for x in seqtrio)
else:
qseq += qchar
hseq += hchar
midline += mchar
frag.query, frag.hit = qseq, hseq
frag.aln_annotation["similarity"] = midline
# create HSP object with the fragment
hsp = HSP([frag])
hsp.evalue = bhsp.expect
hsp.bitscore = bhsp.bits
hsp.bitscore_raw = bhsp.score
# set gap
try:
hsp.gap_num = bhsp.gaps[0]
except IndexError:
hsp.gap_num = 0
# set identity
hsp.ident_num = bhsp.identities[0]
hsp.pos_num = bhsp.positives[0]
if hsp.pos_num is None:
hsp.pos_num = hsp[0].aln_span
hsp_list.append(hsp)
hit = Hit(hsp_list)
hit.seq_len = aln.length
hit.description = hdesc
qresult.append(hit)
qresult.description = qdesc
yield qresult
def _parse_qresult(self):
"""Generator function that returns QueryResult objects."""
# state values, determines what to do for each line
state_EOF = 0
state_QRES_NEW = 1
state_QRES_SAME = 3
# initial value dummies
qres_state = None
file_state = None
prev_qid = None
cur, prev = None, None
# container for Hit objects, used to create QueryResult
hit_list = []
while True:
# store previous line's parsed values for all lines after the first
if cur is not None:
prev = cur
prev_qid = cur_qid
# only parse the result row if it's not EOF
if self.line:
cur = self._parse_row()
cur_qid = cur['qresult']['id']
else:
file_state = state_EOF
# mock value for cur_qid, since we have nothing to parse
cur_qid = None
if prev_qid != cur_qid:
qres_state = state_QRES_NEW
else:
qres_state = state_QRES_SAME
if prev is not None:
# since domain tab formats only have 1 Hit per line
# we always create HSPFragment, HSP, and Hit per line
prev_hid = prev['hit']['id']
# create fragment and HSP and set their attributes
frag = HSPFragment(prev_hid, prev_qid)
for attr, value in prev['frag'].items():
setattr(frag, attr, value)
hsp = HSP([frag])
for attr, value in prev['hsp'].items():
setattr(hsp, attr, value)
# create Hit and set its attributes
hit = Hit([hsp])
for attr, value in prev['hit'].items():
setattr(hit, attr, value)
hit_list.append(hit)
# create qresult and yield if we're at a new qresult or at EOF
if qres_state == state_QRES_NEW or file_state == state_EOF:
qresult = QueryResult(prev_qid, hits=hit_list)
for attr, value in prev['qresult'].items():
setattr(qresult, attr, value)
yield qresult
# if we're at EOF, break
if file_state == state_EOF:
break
hit_list = []
self.line = self.handle.readline()
def _parse_qresult(self):
"""Parses query results."""
# parse the queries
for event, qresult_elem in self.xml_iter:
# </Iteration> marks the end of a single query
# which means we can process it
if event == 'end' and qresult_elem.tag == 'Iteration':
# we'll use the following schema
# <!ELEMENT Iteration (
# Iteration_iter-num,
# Iteration_query-ID?,
# Iteration_query-def?,
# Iteration_query-len?,
# Iteration_hits?,
# Iteration_stat?,
# Iteration_message?)>
# assign query attributes with fallbacks
query_id = qresult_elem.findtext('Iteration_query-ID')
if query_id is None:
query_id = self._fallback['id']
query_desc = qresult_elem.findtext('Iteration_query-def')
if query_desc is None:
query_desc = self._fallback['description']
query_len = qresult_elem.findtext('Iteration_query-len')
if query_len is None:
query_len = self._fallback['len']
# handle blast searches against databases with Blast's IDs
# 'Query_' marks the beginning of a BLAST+-generated ID,
# 'lcl|' marks the beginning of a BLAST legacy-generated ID
if query_id.startswith('Query_') or query_id.startswith('lcl|'):
# store the Blast-generated query ID
blast_query_id = query_id
id_desc = query_desc.split(' ', 1)
query_id = id_desc[0]
try:
query_desc = id_desc[1]
except IndexError:
query_desc = ''
else:
blast_query_id = ''
hit_list, key_list = [], []
for hit in self._parse_hit(qresult_elem.find('Iteration_hits'),
query_id):
if hit:
# need to keep track of hit IDs, since there could be duplicates,
if hit.id in key_list:
warnings.warn("Adding hit with BLAST-generated ID "
"%r since hit ID %r is already present "
"in query %r. Your BLAST database may contain "
"duplicate entries." %
(hit._blast_id, hit.id, query_id), BiopythonParserWarning)
# fallback to Blast-generated IDs, if the ID is already present
# and restore the desc, too
hit.description = '%s %s' % (hit.id, hit.description)
hit.id = hit._blast_id
# and change the hit_id of the HSPs contained
for hsp in hit:
hsp.hit_id = hit._blast_id
else:
key_list.append(hit.id)
hit_list.append(hit)
# create qresult and assign its attributes
qresult = QueryResult(hit_list, query_id)
qresult.description = query_desc
qresult.seq_len = int(query_len)
qresult._blast_id = blast_query_id
for key, value in self._meta.items():
setattr(qresult, key, value)
# statistics are stored in Iteration_stat's 'grandchildren' with the
# following DTD
# <!ELEMENT Statistics (
# Statistics_db-num,
# Statistics_db-len,
# Statistics_hsp-len,
# Statistics_eff-space,
# Statistics_kappa,
# Statistics_lambda,
# Statistics_entropy)>
stat_iter_elem = qresult_elem.find('Iteration_stat')
if stat_iter_elem is not None:
stat_elem = stat_iter_elem.find('Statistics')
for key, val_info in _ELEM_QRESULT_OPT.items():
value = stat_elem.findtext(key)
if value is not None:
caster = val_info[1]
# recast only if value is not intended to be str
if value is not None and caster is not str:
value = caster(value)
setattr(qresult, val_info[0], value)
# delete element after we finish parsing it
qresult_elem.clear()
yield qresult
class Hmmer2TextParser(object):
"""Iterator for the HMMER 2.0 text output."""
def __init__(self, handle):
"""Initialize the class."""
self.handle = handle
self.buf = []
self._meta = self.parse_preamble()
def __iter__(self):
"""Iterate over Hmmer2TextParser, yields query results."""
for qresult in self.parse_qresult():
qresult.program = self._meta.get('program')
qresult.target = self._meta.get('target')
qresult.version = self._meta.get('version')
yield qresult
def read_next(self, rstrip=True):
"""Return the next non-empty line, trailing whitespace removed."""
if len(self.buf) > 0:
return self.buf.pop()
self.line = self.handle.readline()
while self.line and rstrip and not self.line.strip():
self.line = self.handle.readline()
if self.line:
if rstrip:
self.line = self.line.rstrip()
return self.line
def push_back(self, line):
"""Un-read a line that should not be parsed yet."""
self.buf.append(line)
def parse_key_value(self):
"""Parse key-value pair separated by colon."""
key, value = self.line.split(':', 1)
return key.strip(), value.strip()
def parse_preamble(self):
"""Parse HMMER2 preamble."""
meta = {}
state = "GENERIC"
while self.read_next():
if state == "GENERIC":
if self.line.startswith('hmm'):
meta['program'] = self.line.split('-')[0].strip()
elif self.line.startswith('HMMER is'):
continue
elif self.line.startswith('HMMER'):
meta['version'] = self.line.split()[1]
elif self.line.count('-') == 36:
state = "OPTIONS"
continue
assert state == "OPTIONS"
assert 'program' in meta
if self.line.count('-') == 32:
break
key, value = self.parse_key_value()
if meta['program'] == 'hmmsearch':
if key == 'Sequence database':
meta['target'] = value
continue
elif meta['program'] == 'hmmpfam':
if key == 'HMM file':
meta['target'] = value
continue
meta[key] = value
return meta
def parse_qresult(self):
"""Parse a HMMER2 query block."""
while self.read_next():
if not self.line.startswith('Query'):
return
_, id_ = self.parse_key_value()
self.qresult = QueryResult(id=id_)
description = None
while self.read_next() and not self.line.startswith('Scores'):
if self.line.startswith('Accession'):
self.qresult.accession = self.parse_key_value()[1]
if self.line.startswith('Description'):
description = self.parse_key_value()[1]
hit_placeholders = self.parse_hits()
if len(hit_placeholders) > 0:
self.parse_hsps(hit_placeholders)
self.parse_hsp_alignments()
while not self.line.startswith('Query'):
self.read_next()
if not self.line:
break
self.buf.append(self.line)
if description is not None:
self.qresult.description = description
yield self.qresult
def parse_hits(self):
"""Parse a HMMER2 hit block, beginning with the hit table."""
hit_placeholders = []
while self.read_next():
if self.line.startswith('Parsed'):
break
if self.line.find('no hits') > -1:
break
if self.line.startswith('Sequence') or \
self.line.startswith('Model') or \
self.line.startswith('-------- '):
continue
fields = self.line.split()
id_ = fields.pop(0)
domain_obs_num = int(fields.pop())
evalue = float(fields.pop())
bitscore = float(fields.pop())
description = ' '.join(fields).strip()
hit = _HitPlaceholder()
hit.id_ = id_
hit.evalue = evalue
hit.bitscore = bitscore
hit.description = description
hit.domain_obs_num = domain_obs_num
hit_placeholders.append(hit)
return hit_placeholders
def parse_hsps(self, hit_placeholders):
"""Parse a HMMER2 hsp block, beginning with the hsp table."""
# HSPs may occur in different order than the hits
# so store Hit objects separately first
unordered_hits = {}
while self.read_next():
if self.line.startswith('Alignments') or \
self.line.startswith('Histogram') or \
self.line == '//':
break
if self.line.startswith('Model') or \
self.line.startswith('Sequence') or \
self.line.startswith('--------'):
continue
id_, domain, seq_f, seq_t, seq_compl, hmm_f, hmm_t, hmm_compl, \
score, evalue = self.line.split()
frag = HSPFragment(id_, self.qresult.id)
frag.alphabet = generic_protein
if self._meta['program'] == 'hmmpfam':
frag.hit_start = int(hmm_f) - 1
frag.hit_end = int(hmm_t)
frag.query_start = int(seq_f) - 1
frag.query_end = int(seq_t)
elif self._meta['program'] == 'hmmsearch':
frag.query_start = int(hmm_f) - 1
frag.query_end = int(hmm_t)
frag.hit_start = int(seq_f) - 1
frag.hit_end = int(seq_t)
hsp = HSP([frag])
hsp.evalue = float(evalue)
hsp.bitscore = float(score)
hsp.domain_index = int(domain.split('/')[0])
if self._meta['program'] == 'hmmpfam':
hsp.hit_endtype = hmm_compl
hsp.query_endtype = seq_compl
elif self._meta['program'] == 'hmmsearch':
hsp.query_endtype = hmm_compl
hsp.hit_endtype = seq_compl
if id_ not in unordered_hits:
placeholder = [p for p in hit_placeholders if p.id_ == id_][0]
hit = placeholder.createHit([hsp])
unordered_hits[id_] = hit
else:
hit = unordered_hits[id_]
hsp.hit_description = hit.description
hit.append(hsp)
# The placeholder list is in the correct order, so use that order for
# the Hit objects in the qresult
for p in hit_placeholders:
self.qresult.append(unordered_hits[p.id_])
def parse_hsp_alignments(self):
"""Parse a HMMER2 HSP alignment block."""
if not self.line.startswith('Alignments'):
return
while self.read_next():
if self.line == '//' or self.line.startswith('Histogram'):
break
match = re.search(_HSP_ALIGN_LINE, self.line)
if match is None:
continue
id_ = match.group(1)
idx = int(match.group(2))
num = int(match.group(3))
hit = self.qresult[id_]
if hit.domain_obs_num != num:
continue
frag = hit[idx - 1][0]
hmmseq = ''
consensus = ''
otherseq = ''
structureseq = ''
pad = 0
while self.read_next() and self.line.startswith(' '):
# if there's structure information, parse that
if self.line[16:18] == 'CS':
structureseq += self.line[19:].strip()
if not self.read_next():
break
# skip the *-> start marker if it exists
if self.line[19:22] == '*->':
seq = self.line[22:]
pad = 3
else:
seq = self.line[19:]
pad = 0
hmmseq += seq
line_len = len(seq)
if not self.read_next(rstrip=False):
break
consensus += self.line[19 + pad:19 + pad + line_len]
# If there's no consensus sequence, hmmer2 doesn't
# bother to put spaces here, so add extra padding
extra_padding = len(hmmseq) - len(consensus)
consensus += ' ' * extra_padding
if not self.read_next():
break
# if we have a line break in the end marker, we get a
# whitespace-only otherseq line, making split()[0] return
# the end coordinate. That'll be a -, which is a valid character
# in the sequence, meaning we can't just strip it.
parts = self.line[19:].split()
if len(parts) == 2:
otherseq += self.line[19:].split()[0].strip()
self.push_back(self.line)
# get rid of the end marker
if hmmseq.endswith('<-*'):
hmmseq = hmmseq[:-3]
consensus = consensus[:-3]
# add similarity sequence to annotation
frag.aln_annotation['similarity'] = consensus
# if there's structure information, add it to the fragment
if structureseq:
frag.aln_annotation['CS'] = structureseq
if self._meta['program'] == 'hmmpfam':
frag.hit = hmmseq
frag.query = otherseq
else:
frag.hit = otherseq
frag.query = hmmseq
def _parse_qresult(self):
"""Generator function that returns QueryResult objects."""
# state values, determines what to do for each line
state_EOF = 0
state_QRES_NEW = 1
state_QRES_SAME = 3
state_HIT_NEW = 2
state_HIT_SAME = 4
# dummies for initial states
qres_state = None
hit_state = None
file_state = None
# dummies for initial id caches
prev_qid = None
prev_hid = None
# dummies for initial parsed value containers
cur, prev = None, None
hit_list, hsp_list = [], []
cur_qid = None
cur_hid = None
while True:
# store previous line's parsed values, for every line after the 1st
if cur is not None:
prev = cur
prev_qid = cur_qid
prev_hid = cur_hid
# only parse the line if it's not EOF
if self.line and not self.line.startswith('#'):
cur = self._parse_row()
cur_qid = cur['qresult']['id']
cur_hid = cur['hit']['id']
else:
file_state = state_EOF
# mock ID values since the line is empty
cur_qid, cur_hid = None, None
# get the state of hit and qresult
if prev_qid != cur_qid:
qres_state = state_QRES_NEW
else:
qres_state = state_QRES_SAME
# new hits are hits with different ids or hits in a new qresult
if prev_hid != cur_hid or qres_state == state_QRES_NEW:
hit_state = state_HIT_NEW
else:
hit_state = state_HIT_SAME
# start creating objects after the first line (i.e. prev is filled)
if prev is not None:
# each line is basically an HSP with one HSPFragment
frag = HSPFragment(prev_hid, prev_qid)
for attr, value in prev['frag'].items():
setattr(frag, attr, value)
hsp = HSP([frag])
for attr, value in prev['hsp'].items():
setattr(hsp, attr, value)
hsp_list.append(hsp)
# create hit object when we've finished parsing all its hsps
# i.e. when hit state is state_HIT_NEW
if hit_state == state_HIT_NEW:
hit = Hit(hsp_list)
for attr, value in prev['hit'].items():
setattr(hit, attr, value)
hit_list.append(hit)
hsp_list = []
# create qresult and yield if we're at a new qresult or EOF
if qres_state == state_QRES_NEW or file_state == state_EOF:
qresult = QueryResult(hit_list, prev_qid)
for attr, value in prev['qresult'].items():
setattr(qresult, attr, value)
yield qresult
# if current line is EOF, break
if file_state == state_EOF:
break
hit_list = []
self.line = self.handle.readline()
def __iter__(self):
for rec in self.blast_iter:
# set attributes to SearchIO's
# get id and desc
if rec.query.startswith('>'):
rec.query = rec.query[1:]
try:
qid, qdesc = rec.query.split(' ', 1)
except ValueError:
qid, qdesc = rec.query, ''
qdesc = qdesc.replace('\n', '').replace('\r', '')
qresult = QueryResult(id=qid)
qresult.program = rec.application.lower()
qresult.target = rec.database
qresult.seq_len = rec.query_letters
qresult.version = rec.version
# determine alphabet based on program
if qresult.program == 'blastn':
alphabet = generic_dna
elif qresult.program in ['blastp', 'blastx', 'tblastn', 'tblastx']:
alphabet = generic_protein
# iterate over the 'alignments' (hits) and the hit table
for idx, aln in enumerate(rec.alignments):
# get id and desc
if aln.title.startswith('> '):
aln.title = aln.title[2:]
elif aln.title.startswith('>'):
aln.title = aln.title[1:]
try:
hid, hdesc = aln.title.split(' ', 1)
except ValueError:
hid, hdesc = aln.title, ''
hdesc = hdesc.replace('\n', '').replace('\r', '')
# iterate over the hsps and group them in a list
hsp_list = []
for bhsp in aln.hsps:
frag = HSPFragment(hid, qid)
frag.alphabet = alphabet
# set alignment length
frag.aln_span = bhsp.identities[1]
# set frames
try:
frag.query_frame = int(bhsp.frame[0])
except IndexError:
if qresult.program in ('blastp', 'tblastn'):
frag.query_frame = 0
else:
frag.query_frame = 1
try:
frag.hit_frame = int(bhsp.frame[1])
except IndexError:
if qresult.program in ('blastp', 'tblastn'):
frag.hit_frame = 0
else:
frag.hit_frame = 1
# set query coordinates
frag.query_start = min(bhsp.query_start,
bhsp.query_end) - 1
frag.query_end = max(bhsp.query_start, bhsp.query_end)
# set hit coordinates
frag.hit_start = min(bhsp.sbjct_start,
bhsp.sbjct_end) - 1
frag.hit_end = max(bhsp.sbjct_start, bhsp.sbjct_end)
# set query, hit sequences and its annotation
qseq = ''
hseq = ''
midline = ''
for seqtrio in zip(bhsp.query, bhsp.sbjct, bhsp.match):
qchar, hchar, mchar = seqtrio
if qchar == ' ' or hchar == ' ':
assert all(' ' == x for x in seqtrio)
else:
qseq += qchar
hseq += hchar
midline += mchar
frag.query, frag.hit = qseq, hseq
frag.aln_annotation['similarity'] = midline
# create HSP object with the fragment
hsp = HSP([frag])
hsp.evalue = bhsp.expect
hsp.bitscore = bhsp.bits
hsp.bitscore_raw = bhsp.score
# set gap
try:
hsp.gap_num = bhsp.gaps[0]
except IndexError:
hsp.gap_num = 0
# set identity
hsp.ident_num = bhsp.identities[0]
hsp.pos_num = bhsp.positives[0]
if hsp.pos_num is None:
hsp.pos_num = hsp[0].aln_span
hsp_list.append(hsp)
hit = Hit(hsp_list)
hit.seq_len = aln.length
hit.description = hdesc
qresult.append(hit)
qresult.description = qdesc
yield qresult
def _parse_qresult(self):
"""Parse query results (PRIVATE)."""
# parse the queries
for event, qresult_elem in self.xml_iter:
# </Iteration> marks the end of a single query
# which means we can process it
if event == 'end' and qresult_elem.tag == 'Iteration':
# we'll use the following schema
# <!ELEMENT Iteration (
# Iteration_iter-num,
# Iteration_query-ID?,
# Iteration_query-def?,
# Iteration_query-len?,
# Iteration_hits?,
# Iteration_stat?,
# Iteration_message?)>
# assign query attributes with fallbacks
query_id = qresult_elem.findtext('Iteration_query-ID')
if query_id is None:
query_id = self._fallback['id']
query_desc = qresult_elem.findtext('Iteration_query-def')
if query_desc is None:
query_desc = self._fallback['description']
query_len = qresult_elem.findtext('Iteration_query-len')
if query_len is None:
query_len = self._fallback['len']
blast_query_id = query_id
# handle blast searches against databases with Blast's IDs
# 'Query_' marks the beginning of a BLAST+-generated ID,
# 'lcl|' marks the beginning of a BLAST legacy-generated ID
if not self._use_raw_query_ids and \
(query_id.startswith('Query_') or query_id.startswith('lcl|')):
# store the Blast-generated query ID
id_desc = query_desc.split(' ', 1)
query_id = id_desc[0]
try:
query_desc = id_desc[1]
except IndexError:
query_desc = ''
hit_list, key_list = [], []
for hit in self._parse_hit(qresult_elem.find('Iteration_hits'),
query_id):
if hit:
# need to keep track of hit IDs, since there could be duplicates,
if hit.id in key_list:
warnings.warn(
"Renaming hit ID %r to a BLAST-generated ID "
"%r since the ID was already matched "
"by your query %r. Your BLAST database "
"may contain duplicate entries." %
(hit.id, hit.blast_id, query_id),
BiopythonParserWarning)
# fallback to Blast-generated IDs, if the ID is already present
# and restore the desc, too
hit.description = '%s %s' % (hit.id,
hit.description)
hit.id = hit.blast_id
# and change the hit_id of the HSPs contained
for hsp in hit:
hsp.hit_id = hit.blast_id
else:
key_list.append(hit.id)
hit_list.append(hit)
# create qresult and assign its attributes
qresult = QueryResult(hit_list, query_id)
qresult.description = query_desc
qresult.seq_len = int(query_len)
qresult.blast_id = blast_query_id
for key, value in self._meta.items():
setattr(qresult, key, value)
# statistics are stored in Iteration_stat's 'grandchildren' with the
# following DTD
# <!ELEMENT Statistics (
# Statistics_db-num,
# Statistics_db-len,
# Statistics_hsp-len,
# Statistics_eff-space,
# Statistics_kappa,
# Statistics_lambda,
# Statistics_entropy)>
stat_iter_elem = qresult_elem.find('Iteration_stat')
if stat_iter_elem is not None:
stat_elem = stat_iter_elem.find('Statistics')
for key, val_info in _ELEM_QRESULT_OPT.items():
value = stat_elem.findtext(key)
if value is not None:
caster = val_info[1]
# recast only if value is not intended to be str
if value is not None and caster is not str:
value = caster(value)
setattr(qresult, val_info[0], value)
# delete element after we finish parsing it
qresult_elem.clear()
yield qresult
def __iter__(self):
for rec in self.blast_iter:
# set attributes to SearchIO's
# get id and desc
if rec.query.startswith('>'):
rec.query = rec.query[1:]
try:
qid, qdesc = rec.query.split(' ', 1)
except ValueError:
qid, qdesc = rec.query, ''
qdesc = qdesc.replace('\n', '').replace('\r', '')
qresult = QueryResult(id=qid)
qresult.program = rec.application.lower()
qresult.target = rec.database
qresult.seq_len = rec.query_letters
qresult.version = rec.version
# determine alphabet based on program
if qresult.program == 'blastn':
alphabet = generic_dna
elif qresult.program in ['blastp', 'blastx', 'tblastn', 'tblastx']:
alphabet = generic_protein
# iterate over the 'alignments' (hits) and the hit table
for idx, aln in enumerate(rec.alignments):
# get id and desc
if aln.title.startswith('> '):
aln.title = aln.title[2:]
elif aln.title.startswith('>'):
aln.title = aln.title[1:]
try:
hid, hdesc = aln.title.split(' ', 1)
except ValueError:
hid, hdesc = aln.title, ''
hdesc = hdesc.replace('\n', '').replace('\r', '')
# iterate over the hsps and group them in a list
hsp_list = []
for bhsp in aln.hsps:
frag = HSPFragment(hid, qid)
frag.alphabet = alphabet
# set alignment length
frag.aln_span = bhsp.identities[1]
# set frames
try:
frag.query_frame = int(bhsp.frame[0])
except IndexError:
if qresult.program in ('blastp', 'tblastn'):
frag.query_frame = 0
else:
frag.query_frame = 1
try:
frag.hit_frame = int(bhsp.frame[1])
except IndexError:
if qresult.program in ('blastp', 'tblastn'):
frag.hit_frame = 0
else:
frag.hit_frame = 1
# set query coordinates
frag.query_start = min(bhsp.query_start,
bhsp.query_end) - 1
frag.query_end = max(bhsp.query_start, bhsp.query_end)
# set hit coordinates
frag.hit_start = min(bhsp.sbjct_start, bhsp.sbjct_end) - 1
frag.hit_end = max(bhsp.sbjct_start, bhsp.sbjct_end)
# set query, hit sequences and its annotation
qseq = ''
hseq = ''
midline = ''
for seqtrio in zip(bhsp.query, bhsp.sbjct, bhsp.match):
qchar, hchar, mchar = seqtrio
if qchar == ' ' or hchar == ' ':
assert all(' ' == x for x in seqtrio)
else:
qseq += qchar
hseq += hchar
midline += mchar
frag.query, frag.hit = qseq, hseq
frag.aln_annotation['similarity'] = midline
# create HSP object with the fragment
hsp = HSP([frag])
hsp.evalue = bhsp.expect
hsp.bitscore = bhsp.bits
hsp.bitscore_raw = bhsp.score
# set gap
try:
hsp.gap_num = bhsp.gaps[0]
except IndexError:
hsp.gap_num = 0
# set identity
hsp.ident_num = bhsp.identities[0]
hsp.pos_num = bhsp.positives[0]
if hsp.pos_num is None:
hsp.pos_num = hsp[0].aln_span
hsp_list.append(hsp)
hit = Hit(hsp_list)
hit.seq_len = aln.length
hit.description = hdesc
qresult.append(hit)
qresult.description = qdesc
yield qresult
def _parse_qresult(self):
"""Generator function that returns QueryResult objects."""
# state values, used to determine what to do with each line
state_EOF = 0
state_QRES_NEW = 1
state_QRES_SAME = 3
state_HIT_NEW = 2
state_HIT_SAME = 4
# dummies for initial states
qres_state = None
hit_state = None
file_state = None
cur_qid = None
cur_hid = None
# dummies for initial id caches
prev_qid = None
prev_hid = None
# dummies for initial parsed value containers
cur, prev = None, None
hit_list, hsp_list = [], []
while True:
# store previous line's parsed values if we've past the first line
if cur is not None:
prev = cur
prev_qid = cur_qid
prev_hid = cur_hid
# only parse the line if it's not EOF or not a comment line
if self.line and not self.line.startswith('#'):
cur = self._parse_result_row()
cur_qid = self._get_id(cur['qresult'])
cur_hid = self._get_id(cur['hit'])
else:
file_state = state_EOF
# mock values for cur_qid and cur_hid since the line is empty
cur_qid, cur_hid = None, None
# get the state of hit and qresult
if prev_qid != cur_qid:
qres_state = state_QRES_NEW
else:
qres_state = state_QRES_SAME
# new hits are hits with different id or hits in a new qresult
if prev_hid != cur_hid or qres_state == state_QRES_NEW:
hit_state = state_HIT_NEW
else:
hit_state = state_HIT_SAME
# we're creating objects for the previously parsed line(s),
# so nothing is done in the first parsed line (prev == None)
if prev is not None:
# every line is essentially an HSP with one fragment, so we
# create both of these for every line
frag = HSPFragment(prev_hid, prev_qid)
for attr, value in prev['frag'].items():
# adjust coordinates to Python range
# NOTE: this requires both start and end coords to be
# present, otherwise a KeyError will be raised.
# Without this limitation, we might misleadingly set the
# start / end coords
for seq_type in ('query', 'hit'):
if attr == seq_type + '_start':
value = min(value,
prev['frag'][seq_type + '_end']) - 1
elif attr == seq_type + '_end':
value = max(value,
prev['frag'][seq_type + '_start'])
setattr(frag, attr, value)
# strand and frame setattr require the full parsed values
# to be set first
for seq_type in ('hit', 'query'):
# try to set hit and query frame
frame = self._get_frag_frame(frag, seq_type, prev['frag'])
setattr(frag, '%s_frame' % seq_type, frame)
# try to set hit and query strand
strand = self._get_frag_strand(frag, seq_type,
prev['frag'])
setattr(frag, '%s_strand' % seq_type, strand)
hsp = HSP([frag])
for attr, value in prev['hsp'].items():
setattr(hsp, attr, value)
hsp_list.append(hsp)
# create hit and append to temp hit container if hit_state
# says we're not at the same hit or at a new query
if hit_state == state_HIT_NEW:
hit = Hit(hsp_list)
for attr, value in prev['hit'].items():
if attr != 'id_all':
setattr(hit, attr, value)
else:
# not setting hit ID since it's already set from the
# prev_hid above
setattr(hit, '_id_alt', value[1:])
hit_list.append(hit)
hsp_list = []
# create qresult and yield if we're at a new qresult or EOF
if qres_state == state_QRES_NEW or file_state == state_EOF:
qresult = QueryResult(hit_list, prev_qid)
for attr, value in prev['qresult'].items():
setattr(qresult, attr, value)
yield qresult
# if current line is EOF, break
if file_state == state_EOF:
break
hit_list = []
self.line = self.handle.readline().strip()
def test_store_bio_searchio_blast_record(self):
"""Run Tests - __init__ and store_searchio_blast_record."""
null_db, created = Db.objects.get_or_create(name="null")
null_cv, created = Cv.objects.get_or_create(name="null")
null_dbxref, created = Dbxref.objects.get_or_create(accession="null",
db=null_db)
null_cvterm, created = Cvterm.objects.get_or_create(
name="null",
cv=null_cv,
dbxref=null_dbxref,
is_obsolete=0,
is_relationshiptype=0,
)
null_pub, created = Pub.objects.get_or_create(uniquename="null",
type=null_cvterm,
is_obsolete=False)
test_organism = Organism.objects.create(genus="Mus",
species="musculus")
test_organism2, created = Organism.objects.get_or_create(
abbreviation="multispecies",
genus="multispecies",
species="multispecies",
common_name="multispecies",
)
# creating test SO term
test_db = Db.objects.create(name="SO")
test_cv = Cv.objects.create(name="sequence")
test_db2 = Db.objects.create(name="RO")
test_cv2 = Cv.objects.create(name="relationship")
test_dbxref = Dbxref.objects.create(accession="123456", db=test_db)
test_dbxref2 = Dbxref.objects.create(accession="7890", db=test_db)
test_aa_term = Cvterm.objects.create(
name="polypeptide",
cv=test_cv,
dbxref=test_dbxref,
is_obsolete=0,
is_relationshiptype=0,
)
test_aa_term2 = Cvterm.objects.create(
name="protein_match",
cv=test_cv,
dbxref=test_dbxref2,
is_obsolete=0,
is_relationshiptype=0,
)
test_dbxref3 = Dbxref.objects.create(accession="1234567", db=test_db)
Cvterm.objects.create(
name="match_part",
cv=test_cv,
dbxref=test_dbxref3,
is_obsolete=0,
is_relationshiptype=0,
)
test_dbxref4 = Dbxref.objects.create(accession="12345678", db=test_db2)
Cvterm.objects.create(
name="contained in",
cv=test_cv2,
dbxref=test_dbxref4,
is_obsolete=0,
is_relationshiptype=1,
)
test_dbxref5 = Dbxref.objects.create(accession="12345679", db=test_db2)
Cvterm.objects.create(
name="in similarity relationship with",
cv=test_cv2,
dbxref=test_dbxref5,
is_obsolete=0,
is_relationshiptype=1,
)
test_dbxref6 = Dbxref.objects.create(accession="22345679", db=test_db2)
cvterm_translation = Cvterm.objects.create(
name="translation_of",
cv=test_cv,
dbxref=test_dbxref6,
is_obsolete=0,
is_relationshiptype=1,
)
test_dbxref7 = Dbxref.objects.create(accession="223456", db=test_db)
test_mrna_term = Cvterm.objects.create(
name="mRNA",
cv=test_cv,
dbxref=test_dbxref7,
is_obsolete=0,
is_relationshiptype=0,
)
test_db_pfam = Db.objects.create(name="PFAM")
test_cv_pfam = Cv.objects.create(name="PFAM")
test_dbxref_pfam_term = Dbxref.objects.create(accession="123",
db=test_db_pfam)
test_cvterm_pfam_term = Cvterm.objects.create(
name="kinase",
cv=test_cv_pfam,
dbxref=test_dbxref_pfam_term,
is_obsolete=0,
is_relationshiptype=0,
)
# creating test features
feature_db = Db.objects.create(name="FASTA_SOURCE")
feature_dbxref1 = Dbxref.objects.create(db=feature_db,
accession="feat1")
feature_dbxref2 = Dbxref.objects.create(db=feature_db,
accession="feat2")
feature_dbxref3 = Dbxref.objects.create(db=feature_db,
accession="feat3")
feature_dbxref4 = Dbxref.objects.create(db=feature_db,
accession="feat4")
feature_dbxref5 = Dbxref.objects.create(db=feature_db,
accession="feat5")
feature_dbxref1m = Dbxref.objects.create(db=feature_db,
accession="feat1m")
feature_dbxref2m = Dbxref.objects.create(db=feature_db,
accession="feat2m")
feature_dbxref3m = Dbxref.objects.create(db=feature_db,
accession="feat3m")
feature_dbxref4m = Dbxref.objects.create(db=feature_db,
accession="feat4m")
feature_dbxref5m = Dbxref.objects.create(db=feature_db,
accession="feat5m")
f1 = Feature.objects.create(
organism=test_organism,
uniquename="feat1",
is_analysis=False,
type_id=test_aa_term.cvterm_id,
is_obsolete=False,
dbxref=feature_dbxref1,
timeaccessioned=datetime.now(),
timelastmodified=datetime.now(),
)
f2 = Feature.objects.create(
organism=test_organism2,
uniquename="feat2",
is_analysis=False,
type_id=test_aa_term2.cvterm_id,
is_obsolete=False,
dbxref=feature_dbxref2,
timeaccessioned=datetime.now(),
timelastmodified=datetime.now(),
)
f3 = Feature.objects.create(
organism=test_organism2,
uniquename="feat3",
is_analysis=False,
type_id=test_aa_term2.cvterm_id,
is_obsolete=False,
dbxref=feature_dbxref3,
timeaccessioned=datetime.now(),
timelastmodified=datetime.now(),
)
f4 = Feature.objects.create(
organism=test_organism,
uniquename="feat4",
is_analysis=False,
type_id=test_aa_term.cvterm_id,
is_obsolete=False,
dbxref=feature_dbxref4,
timeaccessioned=datetime.now(),
timelastmodified=datetime.now(),
)
f5 = Feature.objects.create(
organism=test_organism2,
uniquename="feat5",
is_analysis=False,
type_id=test_aa_term2.cvterm_id,
is_obsolete=False,
dbxref=feature_dbxref5,
timeaccessioned=datetime.now(),
timelastmodified=datetime.now(),
)
f1m = Feature.objects.create(
organism=test_organism,
uniquename="feat1m",
is_analysis=False,
type=test_mrna_term,
is_obsolete=False,
dbxref=feature_dbxref1m,
timeaccessioned=datetime.now(),
timelastmodified=datetime.now(),
)
f2m = Feature.objects.create(
organism=test_organism2,
uniquename="feat2m",
is_analysis=False,
type=test_mrna_term,
is_obsolete=False,
dbxref=feature_dbxref2m,
timeaccessioned=datetime.now(),
timelastmodified=datetime.now(),
)
f3m = Feature.objects.create(
organism=test_organism2,
uniquename="feat3m",
is_analysis=False,
type=test_mrna_term,
is_obsolete=False,
dbxref=feature_dbxref3m,
timeaccessioned=datetime.now(),
timelastmodified=datetime.now(),
)
f4m = Feature.objects.create(
organism=test_organism,
uniquename="feat4m",
is_analysis=False,
type=test_mrna_term,
is_obsolete=False,
dbxref=feature_dbxref4m,
timeaccessioned=datetime.now(),
timelastmodified=datetime.now(),
)
f5m = Feature.objects.create(
organism=test_organism2,
uniquename="feat5m",
is_analysis=False,
type=test_mrna_term,
is_obsolete=False,
dbxref=feature_dbxref5m,
timeaccessioned=datetime.now(),
timelastmodified=datetime.now(),
)
FeatureRelationship.objects.create(subject=f1m,
object=f1,
type=cvterm_translation,
rank=0)
FeatureRelationship.objects.create(subject=f2m,
object=f2,
type=cvterm_translation,
rank=0)
FeatureRelationship.objects.create(subject=f3m,
object=f3,
type=cvterm_translation,
rank=0)
FeatureRelationship.objects.create(subject=f4m,
object=f4,
type=cvterm_translation,
rank=0)
FeatureRelationship.objects.create(subject=f5m,
object=f5,
type=cvterm_translation,
rank=0)
FeatureCvterm.objects.create(feature=f3,
cvterm=test_cvterm_pfam_term,
pub=null_pub,
is_not=False,
rank=0)
test_HSPFragment1 = HSPFragment("feat1", "feat2")
setattr(test_HSPFragment1, "query_start", 110)
setattr(test_HSPFragment1, "query_end", 1100)
setattr(test_HSPFragment1, "aln_span", 990)
setattr(test_HSPFragment1, "hit_start", 100)
setattr(test_HSPFragment1, "hit_end", 1000)
test_HSP1 = HSP([test_HSPFragment1])
setattr(test_HSP1, "query_id", "feat1")
setattr(test_HSP1, "hit_id", "feat2")
setattr(test_HSP1, "bitscore", 1234.0)
setattr(test_HSP1, "bitscore_raw", 1234)
setattr(test_HSP1, "evalue", 0.0)
setattr(test_HSP1, "ident_num", 82)
test_HIT1 = Hit([test_HSP1])
setattr(test_HIT1, "accession", "5050")
setattr(test_HIT1, "seq_len", 2000)
test_HSPFragment2 = HSPFragment("feat1", "feat3")
setattr(test_HSPFragment2, "query_start", 210)
setattr(test_HSPFragment2, "query_end", 2100)
setattr(test_HSPFragment2, "aln_span", 1890)
setattr(test_HSPFragment2, "hit_start", 200)
setattr(test_HSPFragment2, "hit_end", 2000)
test_HSP2 = HSP([test_HSPFragment2])
setattr(test_HSP2, "query_id", "feat1")
setattr(test_HSP2, "hit_id", "feat3")
setattr(test_HSP2, "bitscore", 234.0)
setattr(test_HSP2, "bitscore_raw", 234)
setattr(test_HSP2, "evalue", 0.0)
setattr(test_HSP2, "ident_num", 72)
test_HIT2 = Hit([test_HSP2])
setattr(test_HIT2, "accession", "500")
setattr(test_HIT2, "seq_len", 4000)
test_result1 = QueryResult([test_HIT1, test_HIT2], "feat1")
setattr(test_result1, "seq_len", 3000)
setattr(test_result1, "blast_id", "feat1")
# test retrieve_query_from_hsp and retrieve_subject_from_hsp
# test hsp with no bitscore, bitscore_raw, evalue, and ident_num
test_HSPFragment3 = HSPFragment("feat4_desc", "feat5_desc")
setattr(test_HSPFragment3, "query_start", 210)
setattr(test_HSPFragment3, "query_end", 2100)
setattr(test_HSPFragment3, "aln_span", 1890)
setattr(test_HSPFragment3, "hit_start", 200)
setattr(test_HSPFragment3, "hit_end", 2000)
test_HSP3 = HSP([test_HSPFragment3])
setattr(test_HSP3, "query_id", "feat4_desc")
setattr(test_HSP3, "query_description", "test id=feat4")
setattr(test_HSP3, "hit_id", "feat5_desc")
setattr(test_HSP3, "hit_description", "test id=feat5")
test_HIT3 = Hit([test_HSP3])
setattr(test_HIT3, "seq_len", 4000)
test_result2 = QueryResult([test_HIT3], "feat4_desc")
setattr(test_result2, "seq_len", 3000)
setattr(test_result2, "blast_id", "feat4_desc")
# test SimilarityLoader fail
with self.assertRaises(ImportingError):
SimilarityLoader(
filename="similarity.file",
algorithm="smith-waterman",
description="command-line example",
program="blastp",
input_format="blast-xml",
programversion="2.2.31+",
so_query="polypeptide",
so_subject="protein_match",
org_query="H**o sapiens",
org_subject="multispecies multispecies",
)
test_blast_file = SimilarityLoader(
filename="similarity.file",
algorithm="smith-waterman",
description="command-line example",
program="interproscan",
input_format="interproscan-xml",
programversion="5",
so_query="polypeptide",
so_subject="protein_match",
org_query="Mus musculus",
org_subject="multispecies multispecies",
)
test_blast_file.store_bio_searchio_query_result(test_result1)
test_blast_file.store_bio_searchio_query_result(test_result2)
test_analysis = Analysis.objects.get(sourcename="similarity.file")
self.assertEqual("interproscan", test_analysis.program)
test_featureloc = Featureloc.objects.get(srcfeature=f3)
test_analysisfeature = Analysisfeature.objects.get(
analysis=test_analysis, feature_id=test_featureloc.feature_id)
self.assertEqual(234.0, test_analysisfeature.rawscore)
# test remove_feature
self.assertTrue(
Analysis.objects.filter(sourcename="similarity.file").exists())
call_command("remove_analysis", "--name=similarity.file",
"--verbosity=0")
self.assertFalse(
Analysis.objects.filter(sourcename="similarity.file").exists())