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# Copyright 2012 by Wibowo Arindrarto. All rights reserved.
# This code is part of the Biopython distribution and governed by its
# license. Please see the LICENSE file that should have been included
# as part of this package.
"""Bio.SearchIO abstract base parser for Exonerate standard output format."""
import re
from Bio.SearchIO._index import SearchIndexer
from Bio.SearchIO._model import QueryResult, Hit, HSP, HSPFragment
from Bio.SeqUtils import seq1
# strand char-value mapping
_STRAND_MAP = {'+': 1, '-': -1, '.': 0}
_RE_SHIFTS = re.compile(r'(#+)')
# regex for checking whether a vulgar line has protein/translated components
_RE_TRANS = re.compile(r'[53ISCF]')
def _set_frame(frag):
"""Sets the HSPFragment frames."""
frag.hit_frame = (frag.hit_start % 3 + 1) * frag.hit_strand
frag.query_frame = (frag.query_start % 3 + 1) * frag.query_strand
def _make_triplets(seq):
"""Splits a string into a list containing triplets of the original
string."""
return [seq[3 * i:3 * (i + 1)] for i in range(len(seq) // 3)]
def _adjust_aa_seq(fraglist):
"""Transforms three-letter amino acid codes into one-letters in the
given HSPFragments."""
hsp_hstart = fraglist[0].hit_start
hsp_qstart = fraglist[0].query_start
for frag in fraglist:
assert frag.query_strand == 0 or frag.hit_strand == 0
# fragment should have a length that is a multiple of 3
assert len(frag) % 3 == 0
# hit step may be -1 as we're aligning to DNA
hstep = 1 if frag.hit_strand >= 0 else -1
# get one letter codes
# and replace gap codon markers and termination characters
custom_map = {'***': '*', '<->': '-'}
hseq1 = seq1(str(frag.hit.seq), custom_map=custom_map)
hstart = hsp_hstart
hend = hstart + len(hseq1.replace('-', '')) * hstep
qseq1 = seq1(str(frag.query.seq), custom_map=custom_map)
qstart = hsp_qstart
qend = qstart + len(qseq1.replace('-', ''))
# replace the old frag sequences with the new ones
frag.hit = None
frag.query = None
frag.hit = hseq1
frag.query = qseq1
# set coordinates for the protein sequence
if frag.query_strand == 0:
frag.query_start, frag.query_end = qstart, qend
elif frag.hit_strand == 0:
frag.hit_start, frag.hit_end = hstart, hend
# update alignment annotation
# by turning them into list of triplets
for annot, annotseq in frag.aln_annotation.items():
frag.aln_annotation[annot] = _make_triplets(annotseq)
# update values for next iteration
hsp_hstart, hsp_qstart = hend, qend
return fraglist
def _split_fragment(frag):
"""Splits one HSPFragment containing frame-shifted alignment into two."""
# given an HSPFragment object with frameshift(s), this method splits it
# into fragments without frameshifts by sequentially chopping it off
# starting from the beginning
simil = frag.aln_annotation['similarity']
# we should have at least 1 frame shift for splitting
assert simil.count('#') > 0
split_frags = []
qstep = 1 if frag.query_strand >= 0 else -1
hstep = 1 if frag.hit_strand >= 0 else -1
qpos = min(frag.query_range) if qstep >= 0 else max(frag.query_range)
hpos = min(frag.hit_range) if qstep >= 0 else max(frag.hit_range)
abs_pos = 0
# split according to hit, then query
while simil:
try:
shifts = re.search(_RE_SHIFTS, simil).group(1)
s_start = simil.find(shifts)
s_stop = s_start + len(shifts)
split = frag[abs_pos:abs_pos + s_start]
except AttributeError: # no '#' in simil, i.e. last frag
shifts = ''
s_start = 0
s_stop = len(simil)
split = frag[abs_pos:]
# coordinates for the split strand
qstart, hstart = qpos, hpos
qpos += (len(split) - sum(str(split.query.seq).count(x)
for x in ('-', '<', '>'))) * qstep
hpos += (len(split) - sum(str(split.hit.seq).count(x)
for x in ('-', '<', '>'))) * hstep
split.hit_start = min(hstart, hpos)
split.query_start = min(qstart, qpos)
split.hit_end = max(hstart, hpos)
split.query_end = max(qstart, qpos)
# account for frameshift length
abs_slice = slice(abs_pos + s_start, abs_pos + s_stop)
if len(frag.aln_annotation) == 2:
seqs = (str(frag[abs_slice].query.seq),
str(frag[abs_slice].hit.seq))
elif len(frag.aln_annotation) == 3:
seqs = (frag[abs_slice].aln_annotation['query_annotation'],
frag[abs_slice].aln_annotation['hit_annotation'],)
if '#' in seqs[0]:
qpos += len(shifts) * qstep
elif '#' in seqs[1]:
hpos += len(shifts) * hstep
# set frame
_set_frame(split)
split_frags.append(split)
# set similarity string and absolute position for the next loop
simil = simil[s_stop:]
abs_pos += s_stop
return split_frags
def _create_hsp(hid, qid, hspd):
"""Returns a list of HSP objects from the given parsed HSP values."""
frags = []
# we are iterating over query_ranges, but hit_ranges works just as well
for idx, qcoords in enumerate(hspd['query_ranges']):
# get sequences, create object
hseqlist = hspd.get('hit')
hseq = '' if hseqlist is None else hseqlist[idx]
qseqlist = hspd.get('query')
qseq = '' if qseqlist is None else qseqlist[idx]
frag = HSPFragment(hid, qid, hit=hseq, query=qseq)
# coordinates
frag.query_start = qcoords[0]
frag.query_end = qcoords[1]
frag.hit_start = hspd['hit_ranges'][idx][0]
frag.hit_end = hspd['hit_ranges'][idx][1]
# alignment annotation
try:
aln_annot = hspd.get('aln_annotation', {})
for key, value in aln_annot.items():
frag.aln_annotation[key] = value[idx]
except IndexError:
pass
# strands
frag.query_strand = hspd['query_strand']
frag.hit_strand = hspd['hit_strand']
# and append the hsp object to the list
if frag.aln_annotation.get('similarity') is not None:
if '#' in frag.aln_annotation['similarity']:
frags.extend(_split_fragment(frag))
continue
# try to set frame if there are translation in the alignment
if len(frag.aln_annotation) > 1 or \
frag.query_strand == 0 or \
('vulgar_comp' in hspd and re.search(_RE_TRANS, hspd['vulgar_comp'])):
_set_frame(frag)
frags.append(frag)
# if the query is protein, we need to change the hit and query sequences
# from three-letter amino acid codes to one letter, and adjust their
# coordinates accordingly
if len(frags[0].aln_annotation) == 2: # 2 annotations == protein query
frags = _adjust_aa_seq(frags)
hsp = HSP(frags)
# set hsp-specific attributes
for attr in ('score', 'hit_split_codons', 'query_split_codons',
'model', 'vulgar_comp', 'cigar_comp', 'alphabet'):
if attr in hspd:
setattr(hsp, attr, hspd[attr])
return hsp
def _parse_hit_or_query_line(line):
"""Parse the 'Query:' line of exonerate alignment outputs."""
try:
mark, id, desc = line.split(' ', 2)
except ValueError: # no desc
mark, id = line.split(' ', 1)
desc = ''
return id, desc
class _BaseExonerateParser(object):
"""Abstract iterator for exonerate format."""
_ALN_MARK = None
def __init__(self, handle):
self.handle = handle
self.has_c4_alignment = False
def __iter__(self):
# read line until the first alignment block or cigar/vulgar lines
while True:
self.line = self.handle.readline()
# flag for human-readable alignment block
if self.line.startswith('C4 Alignment:') and not \
self.has_c4_alignment:
self.has_c4_alignment = True
if self.line.startswith('C4 Alignment:') or \
self.line.startswith('vulgar:') or \
self.line.startswith('cigar:'):
break
elif not self.line or self.line.startswith('-- completed '):
raise StopIteration
for qresult in self._parse_qresult():
qresult.program = 'exonerate'
# HACK: so that all descriptions are set
qresult.description = qresult.description
for hit in qresult:
hit.description = hit.description
yield qresult
def read_until(self, bool_func):
"""Reads the file handle until the given bool function returns True."""
while True:
if not self.line or bool_func(self.line):
return
else:
self.line = self.handle.readline()
def parse_alignment_block(self, header):
raise NotImplementedError("Subclass must implement this")
def _parse_alignment_header(self):
# read all header lines and store them
aln_header = []
# header is everything before the first empty line
while self.line.strip():
aln_header.append(self.line.strip())
self.line = self.handle.readline()
# then parse them
qresult, hit, hsp = {}, {}, {}
for line in aln_header:
# query line
if line.startswith('Query:'):
qresult['id'], qresult['description'] = \
_parse_hit_or_query_line(line)
# target line
elif line.startswith('Target:'):
hit['id'], hit['description'] = \
_parse_hit_or_query_line(line)
# model line
elif line.startswith('Model:'):
qresult['model'] = line.split(' ', 1)[1]
# score line
elif line.startswith('Raw score:'):
hsp['score'] = line.split(' ', 2)[2]
# query range line
elif line.startswith('Query range:'):
# line is always 'Query range: \d+ -> \d+', so we can pluck
# the numbers directly
hsp['query_start'], hsp['query_end'] = line.split(' ', 4)[2:5:2]
# hit range line
elif line.startswith('Target range:'):
# same logic with query range
hsp['hit_start'], hsp['hit_end'] = line.split(' ', 4)[2:5:2]
# determine strand
if qresult['description'].endswith(':[revcomp]'):
hsp['query_strand'] = '-'
qresult['description'] = qresult['description'].replace(':[revcomp]', '')
elif 'protein2' in qresult['model']:
hsp['query_strand'] = '.'
else:
hsp['query_strand'] = '+'
if hit['description'].endswith(':[revcomp]'):
hsp['hit_strand'] = '-'
hit['description'] = hit['description'].replace(':[revcomp]', '')
elif '2protein' in qresult['model']:
hsp['hit_strand'] = '.'
else:
hsp['hit_strand'] = '+'
# NOTE: we haven't processed the coordinates types
# and the strands are not yet Biopython's standard (1 / -1 / 0)
# since it's easier if we do the conversion later
return {'qresult': qresult, 'hit': hit, 'hsp': hsp}
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 _BaseExonerateIndexer(SearchIndexer):
"""Indexer class for Exonerate plain text."""
_parser = None # should be defined by subclass
_query_mark = None # this one too
def get_qresult_id(self, pos):
raise NotImplementedError("Should be defined by subclass")
def __iter__(self):
"""Iterates over the file handle; yields key, start offset, and length."""
handle = self._handle
handle.seek(0)
qresult_key = None
while True:
start_offset = handle.tell()
line = handle.readline()
if line.startswith(self._query_mark):
if qresult_key is None:
qresult_key = self.get_qresult_id(start_offset)
qresult_offset = start_offset
else:
curr_key = self.get_qresult_id(start_offset)
if curr_key != qresult_key:
yield qresult_key, qresult_offset, \
start_offset - qresult_offset
qresult_key = curr_key
qresult_offset = start_offset
handle.seek(qresult_offset)
elif not line:
yield qresult_key, qresult_offset, \
start_offset - qresult_offset
break
# if not used as a module, run the doctest
if __name__ == "__main__":
from Bio._utils import run_doctest
run_doctest()
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