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# Copyright 2008-2011 by Peter Cock. All rights reserved.
# Revisions copyright 2012 by Christian Brueffer. 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.
# TODO - Clean up the extra files created by clustalw? e.g. *.dnd
# and *.aln where we have not requested an explicit name?
from __future__ import print_function
from Bio import MissingExternalDependencyError
import sys
import os
import unittest
from Bio import SeqIO
from Bio import AlignIO
from Bio.Align.Applications import ClustalwCommandline
from Bio.Application import ApplicationError
#################################################################
# Try to avoid problems when the OS is in another language
os.environ['LANG'] = 'C'
clustalw_exe = None
if sys.platform == "win32":
# TODO - Check the path?
try:
# This can vary depending on the Windows language.
prog_files = os.environ["PROGRAMFILES"]
except KeyError:
prog_files = r"C:\Program Files"
# Note that EBI's clustalw2 installer, e.g. clustalw-2.0.10-win.msi
# uses C:\Program Files\ClustalW2\clustalw2.exe so we should check
# for that.
#
# Some users doing a manual install have reported using
# C:\Program Files\clustalw.exe
#
# Older installers might use something like this,
# C:\Program Files\Clustalw\clustalw.exe
#
# One particular case is www.tc.cornell.edu currently provide a
# clustalw1.83 installer which uses the following long location:
# C:\Program Files\CTCBioApps\clustalw\v1.83\clustalw1.83.exe
likely_dirs = ["ClustalW2", "",
"Clustal", "Clustalw", "Clustalw183", "Clustalw1.83",
r"CTCBioApps\clustalw\v1.83"]
likely_exes = ["clustalw2.exe",
"clustalw.exe", "clustalw1.83.exe"]
for folder in likely_dirs:
if os.path.isdir(os.path.join(prog_files, folder)):
for filename in likely_exes:
if os.path.isfile(os.path.join(prog_files, folder, filename)):
clustalw_exe = os.path.join(prog_files, folder, filename)
break
if clustalw_exe:
break
else:
from Bio._py3k import getoutput
# Note that clustalw 1.83 and clustalw 2.1 don't obey the --version
# command, but this does cause them to quit cleanly. Otherwise they prompt
# the user for input (causing a lock up).
output = getoutput("clustalw2 --version")
# Since "not found" may be in another language, try and be sure this is
# really the clustalw tool's output
if "not found" not in output and "CLUSTAL" in output \
and "Multiple Sequence Alignments" in output:
clustalw_exe = "clustalw2"
if not clustalw_exe:
output = getoutput("clustalw --version")
if "not found" not in output and "CLUSTAL" in output \
and "Multiple Sequence Alignments" in output:
clustalw_exe = "clustalw"
if not clustalw_exe:
raise MissingExternalDependencyError(
"Install clustalw or clustalw2 if you want to use it from Biopython.")
class ClustalWTestCase(unittest.TestCase):
"""Class implementing common functions for ClustalW tests."""
def setUp(self):
self.files_to_clean = set()
def tearDown(self):
for filename in self.files_to_clean:
if os.path.isfile(filename):
os.remove(filename)
def standard_test_procedure(self, cline):
"""Standard testing procedure used by all tests."""
self.assertTrue(str(eval(repr(cline))) == str(cline))
input_records = SeqIO.to_dict(SeqIO.parse(cline.infile, "fasta"),
lambda rec: rec.id.replace(":", "_"))
# Determine name of tree file
if cline.newtree:
tree_file = cline.newtree
else:
# Clustalw will name it based on the input file
tree_file = os.path.splitext(cline.infile)[0] + ".dnd"
# Mark generated files for later removal
self.add_file_to_clean(cline.outfile)
self.add_file_to_clean(tree_file)
output, error = cline()
self.assertTrue(output.strip().startswith("CLUSTAL"))
self.assertTrue(error.strip() == "")
# Check the output...
align = AlignIO.read(cline.outfile, "clustal")
# The length of the alignment will depend on the version of clustalw
# (clustalw 2.1 and clustalw 1.83 are certainly different).
output_records = SeqIO.to_dict(SeqIO.parse(cline.outfile, "clustal"))
self.assertTrue(set(input_records.keys()) == set(output_records.keys()))
for record in align:
self.assertTrue(str(record.seq) == str(output_records[record.id].seq))
self.assertTrue(str(record.seq).replace("-", "") ==
str(input_records[record.id].seq))
# Check the DND file was created.
# TODO - Try and parse this with Bio.Nexus?
self.assertTrue(os.path.isfile(tree_file))
def add_file_to_clean(self, filename):
"""Adds a file for deferred removal by the tearDown routine."""
self.files_to_clean.add(filename)
class ClustalWTestErrorConditions(ClustalWTestCase):
"""Test general error conditions."""
def test_empty_file(self):
"""Test a non-existing input file."""
input_file = "does_not_exist.fasta"
self.assertFalse(os.path.isfile(input_file))
cline = ClustalwCommandline(clustalw_exe, infile=input_file)
try:
stdout, stderr = cline()
except ApplicationError as err:
self.assertTrue("Cannot open sequence file" in str(err) or
"Cannot open input file" in str(err) or
"Non-zero return code " in str(err), str(err))
else:
self.fail("expected an ApplicationError")
def test_single_sequence(self):
"""Test an input file containing a single sequence."""
input_file = "Fasta/f001"
self.assertTrue(os.path.isfile(input_file))
self.assertTrue(len(list(SeqIO.parse(input_file, "fasta"))) == 1)
cline = ClustalwCommandline(clustalw_exe, infile=input_file)
try:
stdout, stderr = cline()
# Zero return code is a possible bug in clustalw 2.1?
self.assertTrue("cannot do multiple alignment" in (stdout + stderr))
except ApplicationError as err:
# Good, non-zero return code indicating an error in clustalw
# e.g. Using clustalw 1.83 get:
# Command 'clustalw -infile=Fasta/f001' returned non-zero exit status 4
pass
if os.path.isfile(input_file + ".aln"):
# Clustalw 2.1 made an emtpy aln file, clustalw 1.83 did not
self.add_file_to_clean(input_file + ".aln")
def test_invalid_sequence(self):
"""Test an input file containing an invalid sequence."""
input_file = "Medline/pubmed_result1.txt"
self.assertTrue(os.path.isfile(input_file))
cline = ClustalwCommandline(clustalw_exe, infile=input_file)
try:
stdout, stderr = cline()
except ApplicationError as err:
# Ideally we'd catch the return code and raise the specific
# error for "invalid format", rather than just notice there
# is not output file.
# Note:
# Python 2.3 on Windows gave (0, 'Error')
# Python 2.5 on Windows gives [Errno 0] Error
self.assertTrue("invalid format" in str(err) or
"not produced" in str(err) or
"No sequences in file" in str(err) or
"Non-zero return code " in str(err))
else:
self.fail("expected an ApplicationError")
class ClustalWTestNormalConditions(ClustalWTestCase):
"""Tests for normal conditions."""
def test_properties(self):
"""Test passing options via properties."""
cline = ClustalwCommandline(clustalw_exe)
cline.infile = "Fasta/f002"
cline.outfile = "temp_test.aln"
cline.align = True
self.standard_test_procedure(cline)
def test_simple_fasta(self):
"""Test a simple fasta input file."""
input_file = "Fasta/f002"
output_file = "temp_test.aln"
cline = ClustalwCommandline(clustalw_exe,
infile=input_file,
outfile=output_file)
self.standard_test_procedure(cline)
def test_newtree(self):
"""Test newtree files."""
input_file = "Registry/seqs.fasta"
output_file = "temp_test.aln"
newtree_file = "temp_test.dnd"
cline = ClustalwCommandline(clustalw_exe,
infile=input_file,
outfile=output_file,
newtree=newtree_file,
align=True)
self.standard_test_procedure(cline)
cline.newtree = "temp with space.dnd"
self.standard_test_procedure(cline)
def test_large_input_file(self):
"""Test a large input file."""
# Create a large input file by converting another example file
# (See Bug 2804, this will produce so much output on stdout that
# subprocess could suffer a deadlock and hang). Using all the
# records should show the deadlock but is very slow - just thirty
# seems to lockup on Mac OS X, even 20 on Linux (without the fix).
input_file = "temp_cw_prot.fasta"
handle = open(input_file, "w")
records = list(SeqIO.parse("NBRF/Cw_prot.pir", "pir"))[:40]
SeqIO.write(records, handle, "fasta")
handle.close()
del handle, records
output_file = "temp_cw_prot.aln"
cline = ClustalwCommandline(clustalw_exe,
infile=input_file,
outfile=output_file)
self.add_file_to_clean(input_file)
self.standard_test_procedure(cline)
def test_input_filename_with_space(self):
"""Test an input filename containing a space."""
input_file = "Clustalw/temp horses.fasta"
handle = open(input_file, "w")
SeqIO.write(SeqIO.parse("Phylip/hennigian.phy", "phylip"), handle, "fasta")
handle.close()
output_file = "temp with space.aln"
cline = ClustalwCommandline(clustalw_exe,
infile=input_file,
outfile=output_file)
self.add_file_to_clean(input_file)
self.standard_test_procedure(cline)
def test_output_filename_with_spaces(self):
"""Test an output filename containing spaces."""
input_file = "GFF/multi.fna"
output_file = "temp with space.aln"
cline = ClustalwCommandline(clustalw_exe,
infile=input_file,
outfile=output_file)
self.standard_test_procedure(cline)
class ClustalWTestVersionTwoSpecific(ClustalWTestCase):
"""Tests specific to ClustalW2."""
def test_statistics(self):
"""Test a statistics file."""
if clustalw_exe == "clustalw2":
input_file = "Fasta/f002"
output_file = "temp_test.aln"
statistics_file = "temp_stats.txt"
cline = ClustalwCommandline(clustalw_exe,
infile=input_file,
outfile=output_file,
stats=statistics_file)
self.add_file_to_clean(statistics_file)
self.standard_test_procedure(cline)
self.assertTrue(os.path.isfile(statistics_file))
else:
print("Skipping ClustalW2 specific test.")
if __name__ == "__main__":
runner = unittest.TextTestRunner(verbosity=2)
unittest.main(testRunner=runner)
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