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# #START_LICENSE###########################################################
#
#
# This file is part of the Environment for Tree Exploration program
# (ETE). http://etetoolkit.org
#
# ETE is free software: you can redistribute it and/or modify it
# under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# ETE is distributed in the hope that it will be useful, but WITHOUT
# ANY WARRANTY; without even the implied warranty of MERCHANTABILITY
# or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public
# License for more details.
#
# You should have received a copy of the GNU General Public License
# along with ETE. If not, see <http://www.gnu.org/licenses/>.
#
#
# ABOUT THE ETE PACKAGE
# =====================
#
# ETE is distributed under the GPL copyleft license (2008-2015).
#
# If you make use of ETE in published work, please cite:
#
# Jaime Huerta-Cepas, Joaquin Dopazo and Toni Gabaldon.
# ETE: a python Environment for Tree Exploration. Jaime BMC
# Bioinformatics 2010,:24doi:10.1186/1471-2105-11-24
#
# Note that extra references to the specific methods implemented in
# the toolkit may be available in the documentation.
#
# More info at http://etetoolkit.org. Contact: huerta@embl.de
#
#
# #END_LICENSE#############################################################
#!/usr/bin/python
"""
ugly parsers for outfiles of codeml, rst file for sites,
and main outfile
"""
from __future__ import absolute_import
from __future__ import print_function
from six.moves import map
from six.moves import filter
from six.moves import range
__author__ = "Francois-Jose Serra"
__email__ = "francois@barrabin.org"
__licence__ = "GPLv3"
__version__ = "0.0"
import re
from warnings import warn
def parse_rst(path):
'''
parse rst files from codeml, all site, branch-site models.
return 2 dicts "classes" of sites, and values at each site "sites"
'''
typ = None
classes = {}
sites = {}
n_classes = {}
k = 0
i = 0
bsa = False
path = '/'.join(path.split('/')[:-1]) + '/rst'
for line in open(path):
# get number of classes of sites
if line.startswith ('dN/dS '):
k = int(re.sub ('.* \(K=([0-9]+)\)\n', '\\1', line))
continue
# get values of omega and proportions
if typ is None and \
re.match ('^[a-z]+.*(\d+\.\d{5} *){'+ str(k) +'}', line):
var = re.sub (':', '', line.split(' ')[0])
if var.startswith ('p'):
var = 'proportions'
classes[var] = [float(v) for v in re.findall('\d+\.\d{5}', line)]
continue
# parse NEB and BEB tables
if '(BEB)' in line :
k = int(re.sub('.*for (\d+) classes.*\n', '\\1', line))
typ = 'BEB'
sites[typ] = {}
n_classes[typ] = k
continue
if '(NEB)' in line :
k = int(re.sub('.*for (\d+) classes.*\n', '\\1', line))
typ = 'NEB'
sites[typ] = {}
n_classes[typ] = k
continue
# at the end of some BEB/NEB tables:
if line.startswith ('Positively '):
typ = None
# continue if we are not in table
if not re.match ('^ *[0-9]+ [A-Z*-] ', line) or typ is None:
continue
# line to list
line = line.replace(' +- ', ' ')
line = re.sub ('[()]', '', line.strip()).split()
# get amino-acid
sites[typ].setdefault ('aa', []).append (line[1])
# get site class probability
probs = []
for i in range (k):
probs.append (float (line[2+i]))
sites [typ].setdefault ('p'+str(i), []).append (float (line[2+i]))
sites [typ].setdefault ('pv', []).append (max (probs))
# get most likely site class
classe = int (line [3 + i])
sites[typ].setdefault ('class', []).append (classe)
# if there, get omega and error
try:
sites [typ].setdefault ('w' , []).append (float (line [4 + i]))
except IndexError:
# in this case we are with branch-site A or A1 and we should sum
# probabilities of categories 2a and 2b
probs = probs[:-2] + [sum(probs[-2:])]
sites[typ]['pv'][-1] = max(probs)
bsa = True
try:
sites[typ].setdefault('w' , []).append(
classes['foreground w'][classe - 1])
except KeyError: # clade models
del (sites [typ]['w'])
try:
sites [typ].setdefault ('se', []).append (float (line [5 + i]))
except IndexError:
del (sites [typ]['se'])
return {'classes': classes,
'sites' :sites,
'n_classes': {k: n_classes[k] - bsa for k in n_classes}}
def divide_data(pamout, model):
'''
for multiple dataset, divide outfile.
'''
for num in range (1, int (model.properties['params']['ndata'])):
model.name = model.name + '_' + str(num)
out = open (pamout + '_' + str(num), 'w')
copy = False
for line in open (pamout):
if copy == False and \
line.startswith('Data set '+ str (num) + '\n'):
copy = True
continue
if copy == True and \
line.startswith('Data set '+ str (num+1) + '\n'):
break
if copy == True:
out.write(line)
out.close()
if copy == False:
warn ('WARNING: seems that you have no multiple dataset here...'\
+ '\n trying as with only one dataset')
if model.typ == 'site':
rst = '/'.join (pamout.split('/')[:-1])+'/rst'
rstout = open (rst + '_' + str(num), 'w')
copy = False
for line in open(rst):
if copy == False and \
re.match('\t' + str (num)+'\n', line) is not None:
copy = True
continue
if copy == True and \
re.match('\t' + str (num + 1)+'\n', line) is not None:
copy = False
if copy == True:
rstout.write(line)
rstout.close()
setattr (model, 'data_' + str (num),
parse_paml (pamout + '_' + str(num), model))
else:
setattr (model, 'data_' + str (num),
parse_paml (pamout + '_' + str(num), model))
def get_ancestor (pamout, model):
'''
only for fb_ancestor model, retrieves ancestral sequences also
from rst file.
'''
for line in open ('/'.join (pamout.split('/')[:-1])+'/rst'):
if line.startswith ('node #'):
pamlid, seq = re.sub ('node#([0-9]+)([A-Z]*)\n', '\\1\t\\2',
re.sub (' ', '', line)).split ('\t')
n = model._tree.get_descendant_by_node_id (int (pamlid))
n.add_feature ('nt_sequence', seq)
elif line.startswith ('Node #'):
pamlid, seq = re.sub ('Node#([0-9]+)([A-Z]*)\n', '\\1\t\\2',
re.sub (' ', '', line)).split ('\t')
n = model._tree.get_descendant_by_node_id (int (pamlid))
n.add_feature ('sequence', seq)
elif line.startswith ('Counts of changes at sites'):
break
def parse_paml (pamout, model):
'''
parser function for codeml files,
with values of w,dN,dS etc... dependending of the model
tested.
'''
# if multiple dataset in same file we divide the outfile and model.name+x
if not '*' in str (model.properties['params']['ndata']):
divide_data (pamout, model)
return
all_lines = open (pamout).readlines()
# if we do not have tree, load it
if model._tree is None:
from ..evol import EvolTree
model._tree = EvolTree (re.findall ('\(.*\);', ''.join(all_lines))[2])
model._tree._label_as_paml()
# starts parsing
for i, line in enumerate (all_lines):
if line is '\n':
continue
# codon frequency
if line.startswith('Codon frequencies under model'):
model.stats ['codonFreq'] = []
for j in range (16):
line = list(map (float, re.findall ('\d\.\d+', all_lines [i+j+1])))
model.stats ['codonFreq'] += [line]
continue
if line.startswith('Nei & Gojobori 1986'):
model.stats ['codonFreq'] = []
if 'codonFreq' not in model.stats:
continue
######################
# start serious staff
line = line.rstrip()
# lnL and number of parameters
if line.startswith ('lnL'):
try:
line = re.sub ('.* np: *(\d+)\): +(-\d+\.\d+).*',
'\\1 \\2', line)
model.stats ['np' ] = int (line.split()[0])
model.stats ['lnL'] = float (line.split()[1])
except ValueError:
line = re.sub ('.* np: *(\d+)\): +(nan).*',
'\\1 \\2', line)
model.stats ['np' ] = int (line.split()[0])
model.stats ['lnL'] = float ('-inf')
continue
# get labels of internal branches
if line.count('..') >= 2:
labels = re.findall ('\d+\.\.\d+', line + ' ')
_check_paml_labels (model._tree, labels, pamout, model)
continue
# retrieve kappa
if line.startswith ('kappa '):
try:
model.stats ['kappa'] = float (re.sub ('.*(\d+\.\d+).*',
'\\1', line))
except ValueError:
model.stats ['kappa'] = 'nan'
# retrieve dS dN t w N S and if present, errors. from summary table
if line.count('..') == 1 and line.startswith (' '):
if not re.match (' +\d+\.\.\d+ +\d+\.\d+ ', line):
if re.match (' +( +\d+\.\d+){8}', all_lines [i+1]):
_get_values (model, line.split ()[0]+' '+all_lines [i+1])
continue
_get_values (model, line)
continue
def _get_values(model, line):
'''
just to ligther main parser
'''
vals = line.split()
# store values under paml_id
paml_id = int (vals[0].split('..')[1])
model.branches[paml_id].update({
'bL' : float (vals [1]),
'N' : float (vals [2]),
'S' : float (vals [3]),
'w' : float (vals [4]),
'dN' : float (vals [5]),
'dS' : float (vals [6]),
'SEdN': float (vals[vals.index ('dN') + 4]) if 'dN' in line else None,
'SEdS': float (vals[vals.index ('dS') + 4]) if 'dS' in line else None
})
def _check_paml_labels (tree, paml_labels, pamout, model):
'''
* check paml labels
Should not be necessary if all codeml is run through ETE.
'''
try:
relations = sorted ([list(map( int, x.split('..'))) for x in paml_labels],
key=lambda x: x[1])
except IndexError:
return
# check that labelling corresponds with paml...
for rel in relations:
try:
node = tree.get_descendant_by_node_id(rel[1])
if int (node.up.node_id) != int (rel[0]):
warn('WARNING: labelling does not correspond (bad tree?)!!\n' + \
' Getting them from ' + pamout)
_get_labels_from_paml(tree, relations, pamout, model)
break
except IndexError:
# if unable to find one node, relabel the whole tree
print(rel)
warn ('ERROR: labelling does not correspond!!\n' + \
' Getting them from ' + pamout)
_get_labels_from_paml(tree, relations, pamout, model)
def _get_labels_from_paml (tree, relations, pamout, model):
'''
in case problem in labelling... and of course it is not my fault...
retrieve node_ids from outfile... from relations line.
This may occur when loading a model that was run outside ETE.
'''
from copy import copy
old2new = {}
# label leaves
for line in open (pamout, 'r').readlines():
if re.search ('^#[0-9][0-9]*:', line):
nam, paml_id = re.sub ('#([0-9]+): (.*)', '\\2 \\1',
line.strip()).split()
node = (tree & nam)
old2new[node.node_id] = int(paml_id)
node.add_feature ('node_id', int(paml_id))
if line.startswith ('Sums of codon'):
break
# label the root
tree.add_feature ('node_id', int (len (tree) + 1))
# label other internal nodes
for node in tree.traverse(strategy='postorder'):
if node.is_root(): continue
paml_id = next(filter(lambda x: x[1]==node.node_id, relations))[0]
old2new[node.up.node_id] = paml_id
node.up.node_id = paml_id
### change keys in branches dict of model
branches = copy(model.branches)
for b in model.branches:
model.branches[b] = branches[old2new[b]]
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