# Copyright 2009 by Peter Cock. 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. """Runs a few EMBOSS tools to check our wrappers and parsers.""" import os import sys import unittest import subprocess from Bio._py3k import StringIO from Bio.Emboss.Applications import WaterCommandline, NeedleCommandline from Bio.Emboss.Applications import SeqretCommandline, SeqmatchallCommandline from Bio import SeqIO from Bio import AlignIO from Bio import MissingExternalDependencyError from Bio.Application import _escape_filename from Bio.Alphabet import generic_protein, generic_dna, generic_nucleotide from Bio.Seq import Seq, translate from Bio.SeqRecord import SeqRecord #from Bio.Data.IUPACData import ambiguous_dna_letters ################################################################# #Try to avoid problems when the OS is in another language os.environ['LANG'] = 'C' exes_wanted = ["water", "needle", "seqret", "transeq", "seqmatchall", "embossversion"] exes = dict() # Dictionary mapping from names to exe locations if "EMBOSS_ROOT" in os.environ: #Windows default installation path is C:\mEMBOSS which contains the exes. #EMBOSS also sets an environment variable which we will check for. path = os.environ["EMBOSS_ROOT"] if os.path.isdir(path): for name in exes_wanted: if os.path.isfile(os.path.join(path, name+".exe")): exes[name] = os.path.join(path, name+".exe") del name else: raise MissingExternalDependencyError( "$EMBOSS_ROOT=%r which does not exist!" % path) del path if sys.platform!="win32": from Bio._py3k import getoutput for name in exes_wanted: #This will "just work" if installed on the path as normal on Unix output = getoutput("%s -help" % name) if "not found" not in output and "not recognized" not in output: exes[name] = name del output del name if len(exes) < len(exes_wanted): raise MissingExternalDependencyError( "Install EMBOSS if you want to use Bio.Emboss.") def get_emboss_version(): """Returns a tuple of three ints, e.g. (6,1,0)""" #Windows and Unix versions of EMBOSS seem to differ in #which lines go to stdout and stderr - so merge them. child = subprocess.Popen(_escape_filename(exes["embossversion"]), stdout=subprocess.PIPE, stderr=subprocess.STDOUT, universal_newlines=True, shell=(sys.platform!="win32")) stdout, stderr = child.communicate() child.stdout.close() # This is both stdout and stderr del child assert stderr is None # Send to stdout instead for line in stdout.split("\n"): if line.strip()=="Report the current EMBOSS version number": # e.g. # $ embossversion # Report the current EMBOSS version number # 6.5.7.0 pass elif line.strip()=="Reports the current EMBOSS version number": # e.g. # $ embossversion # Reports the current EMBOSS version number # 6.3.1 pass elif line.startswith("Writes the current EMBOSS version number"): pass elif line.count(".")==2: return tuple(int(v) for v in line.strip().split(".")) elif line.count(".")==3: #e.g. I installed mEMBOSS-6.2.0.1-setup.exe #which reports 6.2.0.1 - for this return (6,2,0) return tuple(int(v) for v in line.strip().split("."))[:3] else: #Either we can't understand the output, or this is really #an error message not caught earlier (e.g. not in English) raise MissingExternalDependencyError( "Install EMBOSS if you want to use Bio.Emboss (%s)." % line) #In case there was no output at all... raise MissingExternalDependencyError("Could not get EMBOSS version") #To avoid confusing known errors from old versions of EMBOSS ... emboss_version = get_emboss_version() if emboss_version < (6, 1, 0): raise MissingExternalDependencyError( "Test requires EMBOSS 6.1.0 patch 3 or later.") ################################################################# #Top level function as this makes it easier to use for debugging: def emboss_convert(filename, old_format, new_format): """Run seqret, returns handle.""" #Setup, this assumes for all the format names used #Biopython and EMBOSS names are consistent! cline = SeqretCommandline(exes["seqret"], sequence = filename, sformat = old_format, osformat = new_format, auto = True, # no prompting stdout = True) #Run the tool, child = subprocess.Popen(str(cline), stdin=subprocess.PIPE, stdout=subprocess.PIPE, stderr=subprocess.PIPE, universal_newlines=True, shell=(sys.platform!="win32")) child.stdin.close() child.stderr.close() return child.stdout #Top level function as this makes it easier to use for debugging: def emboss_piped_SeqIO_convert(records, old_format, new_format): """Run seqret, returns records (as a generator).""" #Setup, this assumes for all the format names used #Biopython and EMBOSS names are consistent! cline = SeqretCommandline(exes["seqret"], sformat = old_format, osformat = new_format, auto = True, # no prompting filter = True) #Run the tool, child = subprocess.Popen(str(cline), stdin=subprocess.PIPE, stdout=subprocess.PIPE, stderr=subprocess.PIPE, universal_newlines=True, shell=(sys.platform!="win32")) SeqIO.write(records, child.stdin, old_format) child.stdin.close() child.stderr.close() #TODO - Is there a nice way to return an iterator AND #automatically close the handle? records = list(SeqIO.parse(child.stdout, new_format)) child.stdout.close() return records #Top level function as this makes it easier to use for debugging: def emboss_piped_AlignIO_convert(alignments, old_format, new_format): """Run seqret, returns alignments (as a generator).""" #Setup, this assumes for all the format names used #Biopython and EMBOSS names are consistent! cline = SeqretCommandline(exes["seqret"], sformat = old_format, osformat = new_format, auto = True, # no prompting filter = True) #Run the tool, child = subprocess.Popen(str(cline), stdin=subprocess.PIPE, stdout=subprocess.PIPE, stderr=subprocess.PIPE, universal_newlines=True, shell=(sys.platform!="win32")) try: AlignIO.write(alignments, child.stdin, old_format) except Exception as err: child.stdin.close() child.stderr.close() child.stdout.close() raise child.stdin.close() child.stderr.close() #TODO - Is there a nice way to return an iterator AND #automatically close the handle? try: aligns = list(AlignIO.parse(child.stdout, new_format)) except Exception as err: child.stdout.close() raise child.stdout.close() return aligns #Top level function as this makes it easier to use for debugging: def compare_records(old_list, new_list): """Check two lists of SeqRecords agree, raises a ValueError if mismatch.""" if len(old_list) != len(new_list): raise ValueError("%i vs %i records" % (len(old_list), len(new_list))) for old, new in zip(old_list, new_list): #Note the name matching is a bit fuzzy, e.g. truncation and #no spaces in PHYLIP files. if old.id != new.id and old.name != new.name \ and (old.id not in new.id) and (new.id not in old.id) \ and (old.id.replace(" ", "_") != new.id.replace(" ", "_")): raise ValueError("'%s' or '%s' vs '%s' or '%s' records" % (old.id, old.name, new.id, new.name)) if len(old.seq) != len(new.seq): raise ValueError("%i vs %i" % (len(old.seq), len(new.seq))) if str(old.seq).upper() != str(new.seq).upper(): if str(old.seq).replace("X", "N")==str(new.seq) : raise ValueError("X -> N (protein forced into nucleotide?)") if len(old.seq) < 200: raise ValueError("'%s' vs '%s'" % (old.seq, new.seq)) else: raise ValueError("'%s...%s' vs '%s...%s'" % (old.seq[:60], old.seq[-10:], new.seq[:60], new.seq[-10:])) if old.features and new.features \ and len(old.features) != len(new.features): raise ValueError("%i vs %i features" % (len(old.features, len(new.features)))) #TODO - check annotation return True #Top level function as this makes it easier to use for debugging: def compare_alignments(old_list, new_list): """Check two lists of Alignments agree, raises a ValueError if mismatch.""" if len(old_list) != len(new_list): raise ValueError("%i vs %i alignments" % (len(old_list), len(new_list))) for old, new in zip(old_list, new_list): if len(old) != len(new): raise ValueError("Alignment with %i vs %i records" % (len(old), len(new))) compare_records(old, new) return True class SeqRetSeqIOTests(unittest.TestCase): """Check EMBOSS seqret against Bio.SeqIO for converting files.""" def tearDown(self): clean_up() def check_SeqIO_to_EMBOSS(self, in_filename, in_format, skip_formats=[], alphabet=None): """Can Bio.SeqIO write files seqret can read back?""" if alphabet: records = list(SeqIO.parse(in_filename, in_format, alphabet)) else: records = list(SeqIO.parse(in_filename, in_format)) for temp_format in ["genbank", "embl", "fasta"]: if temp_format in skip_formats: continue new_records = list(emboss_piped_SeqIO_convert(records, temp_format, "fasta")) try: self.assertTrue(compare_records(records, new_records)) except ValueError as err: raise ValueError("Disagree on file %s %s in %s format: %s" % (in_format, in_filename, temp_format, err)) def check_EMBOSS_to_SeqIO(self, filename, old_format, skip_formats=[]): """Can Bio.SeqIO read seqret's conversion of the file?""" #TODO: Why can't we read EMBOSS's swiss output? self.assertTrue(os.path.isfile(filename)) old_records = list(SeqIO.parse(filename, old_format)) for new_format in ["genbank", "fasta", "pir", "embl", "ig"]: if new_format in skip_formats: continue handle = emboss_convert(filename, old_format, new_format) new_records = list(SeqIO.parse(handle, new_format)) handle.close() try: self.assertTrue(compare_records(old_records, new_records)) except ValueError as err: raise ValueError("Disagree on %s file %s in %s format: %s" % (old_format, filename, new_format, err)) def check_SeqIO_with_EMBOSS(self, filename, old_format, skip_formats=[], alphabet=None): #Check EMBOSS can read Bio.SeqIO output... self.check_SeqIO_to_EMBOSS(filename, old_format, skip_formats, alphabet) #Check Bio.SeqIO can read EMBOSS seqret output... self.check_EMBOSS_to_SeqIO(filename, old_format, skip_formats) def test_abi(self): """SeqIO agrees with EMBOSS' Abi to FASTQ conversion.""" #This lets use check the id, sequence, and quality scores for filename in ["Abi/3730.ab1", "Abi/empty.ab1"]: old = SeqIO.read(filename, "abi") handle = emboss_convert(filename, "abi", "fastq-sanger") new = SeqIO.read(handle, "fastq-sanger") handle.close() if emboss_version == (6, 4, 0) and new.id == "EMBOSS_001": #Avoid bug in EMBOSS 6.4.0 (patch forthcoming) pass else: self.assertEqual(old.id, new.id) self.assertEqual(str(old.seq), str(new.seq)) if emboss_version < (6, 3, 0) and new.letter_annotations["phred_quality"] == [1]*len(old): #Apparent bug in EMBOSS 6.2.0.1 on Windows pass else: self.assertEqual(old.letter_annotations, new.letter_annotations) def test_genbank(self): """SeqIO & EMBOSS reading each other's conversions of a GenBank file.""" self.check_SeqIO_with_EMBOSS("GenBank/cor6_6.gb", "genbank") def test_genbank2(self): """SeqIO & EMBOSS reading each other's conversions of another GenBank file.""" self.check_SeqIO_with_EMBOSS("GenBank/NC_000932.gb", "genbank") def test_embl(self): """SeqIO & EMBOSS reading each other's conversions of an EMBL file.""" self.check_SeqIO_with_EMBOSS("EMBL/U87107.embl", "embl") def test_ig(self): """SeqIO & EMBOSS reading each other's conversions of an ig file.""" #NOTE - EMBOSS considers "genbank" to be for nucleotides only, #and will turn "X" into "N" for GenBank output. self.check_SeqIO_to_EMBOSS("IntelliGenetics/VIF_mase-pro.txt", "ig", alphabet=generic_protein, skip_formats=["genbank", "embl"]) #TODO - What does a % in an ig sequence mean? #e.g. "IntelliGenetics/vpu_nucaligned.txt" #and "IntelliGenetics/TAT_mase_nuc.txt" #EMBOSS seems to ignore them. def test_pir(self): """SeqIO & EMBOSS reading each other's conversions of a PIR file.""" #Skip genbank here, EMBOSS mangles the LOCUS line: self.check_SeqIO_with_EMBOSS("NBRF/clustalw.pir", "pir", skip_formats=["genbank"]) #Skip EMBL here, EMBOSS mangles the ID line #Skip GenBank, EMBOSS 6.0.1 on Windows won't output proteins as GenBank self.check_SeqIO_with_EMBOSS("NBRF/DMB_prot.pir", "pir", skip_formats=["embl", "genbank"]) def test_clustalw(self): """SeqIO & EMBOSS reading each other's conversions of a Clustalw file.""" self.check_SeqIO_with_EMBOSS("Clustalw/hedgehog.aln", "clustal", skip_formats=["embl", "genbank"]) self.check_SeqIO_with_EMBOSS("Clustalw/opuntia.aln", "clustal", skip_formats=["embl", "genbank"]) class SeqRetAlignIOTests(unittest.TestCase): """Check EMBOSS seqret against Bio.SeqIO for converting files.""" def tearDown(self): clean_up() def check_EMBOSS_to_AlignIO(self, filename, old_format, skip_formats=[]): """Can AlignIO read seqret's conversion of the file?""" self.assertTrue(os.path.isfile(filename), filename) old_aligns = list(AlignIO.parse(filename, old_format)) formats = ["clustal", "phylip", "ig"] if len(old_aligns) == 1: formats.extend(["fasta", "nexus"]) for new_format in formats: if new_format in skip_formats: continue handle = emboss_convert(filename, old_format, new_format) try: new_aligns = list(AlignIO.parse(handle, new_format)) except: handle.close() raise ValueError("Can't parse %s file %s in %s format." % (old_format, filename, new_format)) handle.close() try: self.assertTrue(compare_alignments(old_aligns, new_aligns)) except ValueError as err: raise ValueError("Disagree on %s file %s in %s format: %s" % (old_format, filename, new_format, err)) def check_AlignIO_to_EMBOSS(self, in_filename, in_format, skip_formats=[], alphabet=None): """Can Bio.AlignIO write files seqret can read back?""" if alphabet: old_aligns = list(AlignIO.parse(in_filename, in_format, alphabet)) else: old_aligns = list(AlignIO.parse(in_filename, in_format)) formats = ["clustal", "phylip"] if len(old_aligns) == 1: formats.extend(["fasta", "nexus"]) for temp_format in formats: if temp_format in skip_formats: continue #PHYLIP is a simple format which explicitly supports #multiple alignments (unlike FASTA). try: new_aligns = list(emboss_piped_AlignIO_convert(old_aligns, temp_format, "phylip")) except ValueError as e: #e.g. ValueError: Need a DNA, RNA or Protein alphabet #from writing Nexus files... continue try: self.assertTrue(compare_alignments(old_aligns, new_aligns)) except ValueError as err: raise ValueError("Disagree on file %s %s in %s format: %s" % (in_format, in_filename, temp_format, err)) def check_AlignIO_with_EMBOSS(self, filename, old_format, skip_formats=[], alphabet=None): #Check EMBOSS can read Bio.AlignIO output... self.check_AlignIO_to_EMBOSS(filename, old_format, skip_formats, alphabet) #Check Bio.AlignIO can read EMBOSS seqret output... self.check_EMBOSS_to_AlignIO(filename, old_format, skip_formats) def test_align_clustalw(self): """AlignIO & EMBOSS reading each other's conversions of a ClustalW file.""" self.check_AlignIO_with_EMBOSS("Clustalw/hedgehog.aln", "clustal") self.check_AlignIO_with_EMBOSS("Clustalw/opuntia.aln", "clustal") self.check_AlignIO_with_EMBOSS("Clustalw/odd_consensus.aln", "clustal", skip_formats=["nexus"]) # TODO - why not nexus? self.check_AlignIO_with_EMBOSS("Clustalw/protein.aln", "clustal") self.check_AlignIO_with_EMBOSS("Clustalw/promals3d.aln", "clustal") def test_clustalw(self): """AlignIO & EMBOSS reading each other's conversions of a PHYLIP file.""" self.check_AlignIO_with_EMBOSS("Phylip/horses.phy", "phylip") self.check_AlignIO_with_EMBOSS("Phylip/hennigian.phy", "phylip") self.check_AlignIO_with_EMBOSS("Phylip/reference_dna.phy", "phylip") self.check_AlignIO_with_EMBOSS("Phylip/reference_dna2.phy", "phylip") self.check_AlignIO_with_EMBOSS("Phylip/interlaced.phy", "phylip") self.check_AlignIO_with_EMBOSS("Phylip/interlaced2.phy", "phylip") self.check_AlignIO_with_EMBOSS("Phylip/random.phy", "phylip") class PairwiseAlignmentTests(unittest.TestCase): """Run pairwise alignments with water and needle, and parse them.""" def tearDown(self): clean_up() def pairwise_alignment_check(self, query_seq, targets, alignments, local=True): """Check pairwise alignment data is sane.""" #The datasets should be small, so making iterators into lists is OK targets = list(targets) alignments = list(alignments) self.assertEqual(len(targets), len(alignments)) for target, alignment in zip(targets, alignments): self.assertEqual(len(alignment), 2) #self.assertEqual(target.id, alignment[1].id) #too strict if alignment[1].id not in target.id \ and alignment[1].id not in target.name: raise AssertionError("%s vs %s or %s" % (alignment[1].id, target.id, target.name)) if local: #Local alignment self.assertTrue(str(alignment[0].seq).replace("-", "") in query_seq) self.assertTrue(str(alignment[1].seq).replace("-", "").upper() in str(target.seq).upper()) else: #Global alignment self.assertEqual(str(query_seq), str(alignment[0].seq).replace("-", "")) self.assertEqual(str(target.seq).upper(), str(alignment[1].seq).replace("-", "").upper()) return True def run_water(self, cline): #Run the tool, stdout, stderr = cline() self.assertTrue(stderr.strip().startswith("Smith-Waterman local alignment"), stderr) if cline.outfile: self.assertEqual(stdout.strip(), "") self.assertTrue(os.path.isfile(cline.outfile), "Missing output file %r from:\n%s" % (cline.outfile, cline)) else : #Don't use this yet... could return stdout handle instead? return stdout def test_water_file(self): """water with the asis trick, output to a file.""" #Setup, try a mixture of keyword arguments and later additions: cline = WaterCommandline(cmd=exes["water"], gapopen="10", gapextend="0.5") #Try using both human readable names, and the literal ones: cline.set_parameter("asequence", "asis:ACCCGGGCGCGGT") cline.set_parameter("-bsequence", "asis:ACCCGAGCGCGGT") #Try using a property set here: cline.outfile = "Emboss/temp with space.water" self.assertEqual(str(eval(repr(cline))), str(cline)) #Run the tool, self.run_water(cline) #Check we can parse the output... align = AlignIO.read(cline.outfile, "emboss") self.assertEqual(len(align), 2) self.assertEqual(str(align[0].seq), "ACCCGGGCGCGGT") self.assertEqual(str(align[1].seq), "ACCCGAGCGCGGT") #Clean up, os.remove(cline.outfile) def test_water_piped(self): """water with asis trick, output piped to stdout.""" cline = WaterCommandline(cmd=exes["water"], asequence="asis:ACCCGGGCGCGGT", bsequence="asis:ACCCGAGCGCGGT", gapopen=10, gapextend=0.5, auto=True, filter=True) self.assertEqual(str(cline), exes["water"] + " -auto -filter" + " -asequence=asis:ACCCGGGCGCGGT" + " -bsequence=asis:ACCCGAGCGCGGT" + " -gapopen=10 -gapextend=0.5") #Run the tool, child = subprocess.Popen(str(cline), stdin=subprocess.PIPE, stdout=subprocess.PIPE, stderr=subprocess.PIPE, universal_newlines=True, shell=(sys.platform!="win32")) child.stdin.close() #Check we could read it's output align = AlignIO.read(child.stdout, "emboss") self.assertEqual(len(align), 2) self.assertEqual(str(align[0].seq), "ACCCGGGCGCGGT") self.assertEqual(str(align[1].seq), "ACCCGAGCGCGGT") #Check no error output: self.assertEqual(child.stderr.read(), "") self.assertEqual(0, child.wait()) child.stdout.close() child.stderr.close() def test_needle_file(self): """needle with the asis trick, output to a file.""" #Setup, cline = NeedleCommandline(cmd=exes["needle"]) cline.set_parameter("-asequence", "asis:ACCCGGGCGCGGT") cline.set_parameter("-bsequence", "asis:ACCCGAGCGCGGT") cline.set_parameter("-gapopen", "10") cline.set_parameter("-gapextend", "0.5") #EMBOSS would guess this, but let's be explicit: cline.set_parameter("-snucleotide", "True") cline.set_parameter("-outfile", "Emboss/temp with space.needle") self.assertEqual(str(eval(repr(cline))), str(cline)) #Run the tool, stdout, stderr = cline() #Check it worked, self.assertTrue(stderr.strip().startswith("Needleman-Wunsch global alignment"), stderr) self.assertEqual(stdout.strip(), "") filename = cline.outfile self.assertTrue(os.path.isfile(filename), "Missing output file %r from:\n%s" % (filename, cline)) #Check we can parse the output... align = AlignIO.read(filename, "emboss") self.assertEqual(len(align), 2) self.assertEqual(str(align[0].seq), "ACCCGGGCGCGGT") self.assertEqual(str(align[1].seq), "ACCCGAGCGCGGT") #Clean up, os.remove(filename) def test_needle_piped(self): """needle with asis trick, output piped to stdout.""" cline = NeedleCommandline(cmd=exes["needle"], asequence="asis:ACCCGGGCGCGGT", bsequence="asis:ACCCGAGCGCGGT", gapopen=10, gapextend=0.5, auto=True, filter=True) self.assertEqual(str(cline), exes["needle"] + " -auto -filter" + " -asequence=asis:ACCCGGGCGCGGT" + " -bsequence=asis:ACCCGAGCGCGGT" + " -gapopen=10 -gapextend=0.5") #Run the tool, child = subprocess.Popen(str(cline), stdin=subprocess.PIPE, stdout=subprocess.PIPE, stderr=subprocess.PIPE, universal_newlines=True, shell=(sys.platform!="win32")) child.stdin.close() #Check we could read it's output align = AlignIO.read(child.stdout, "emboss") self.assertEqual(len(align), 2) self.assertEqual(str(align[0].seq), "ACCCGGGCGCGGT") self.assertEqual(str(align[1].seq), "ACCCGAGCGCGGT") #Check no error output: self.assertEqual(child.stderr.read(), "") self.assertEqual(0, child.wait()) child.stdout.close() child.stderr.close() def test_water_file2(self): """water with the asis trick and nucleotide FASTA file, output to a file.""" #Setup, query = "ACACACTCACACACACTTGGTCAGAGATGCTGTGCTTCTTGGAAGCAAGGNCTCAAAGGCAAGGTGCACGCAGAGGGACGTTTGAGTCTGGGATGAAGCATGTNCGTATTATTTATATGATGGAATTTCACGTTTTTATG" out_file = "Emboss/temp_test2.water" in_file = "Fasta/f002" self.assertTrue(os.path.isfile(in_file)) if os.path.isfile(out_file): os.remove(out_file) cline = WaterCommandline(cmd=exes["water"]) cline.set_parameter("-asequence", "asis:%s" % query) cline.set_parameter("-bsequence", in_file) cline.set_parameter("-gapopen", "10") cline.set_parameter("-gapextend", "0.5") cline.set_parameter("-outfile", out_file) self.assertEqual(str(eval(repr(cline))), str(cline)) #Run the tool, self.run_water(cline) #Check we can parse the output and it is sensible... self.pairwise_alignment_check(query, SeqIO.parse(in_file, "fasta"), AlignIO.parse(out_file, "emboss"), local=True) #Clean up, os.remove(out_file) def test_water_file3(self): """water with the asis trick and GenBank file, output to a file.""" #Setup, query = "TGTTGTAATGTTTTAATGTTTCTTCTCCCTTTAGATGTACTACGTTTGGA" out_file = "Emboss/temp_test3.water" in_file = "GenBank/cor6_6.gb" self.assertTrue(os.path.isfile(in_file)) if os.path.isfile(out_file): os.remove(out_file) cline = WaterCommandline(cmd=exes["water"]) cline.set_parameter("asequence", "asis:%s" % query) cline.set_parameter("bsequence", in_file) #TODO - Tell water this is a GenBank file! cline.set_parameter("gapopen", "1") cline.set_parameter("gapextend", "0.5") cline.set_parameter("outfile", out_file) self.assertEqual(str(eval(repr(cline))), str(cline)) #Run the tool, self.run_water(cline) #Check we can parse the output and it is sensible... self.pairwise_alignment_check(query, SeqIO.parse(in_file, "genbank"), AlignIO.parse(out_file, "emboss"), local=True) #Clean up, os.remove(out_file) def test_water_file4(self): """water with the asis trick and SwissProt file, output to a file.""" #Setup, query = "DVCTGKALCDPVTQNIKTYPVKIENLRVMI" out_file = "Emboss/temp_test4.water" in_file = "SwissProt/sp004" self.assertTrue(os.path.isfile(in_file)) if os.path.isfile(out_file): os.remove(out_file) cline = WaterCommandline(cmd=exes["water"]) cline.set_parameter("-asequence", "asis:%s" % query) cline.set_parameter("-bsequence", in_file) #EMBOSS should work this out, but let's be explicit: cline.set_parameter("-sprotein", True) #TODO - Tell water this is a SwissProt file! cline.set_parameter("-gapopen", "20") cline.set_parameter("-gapextend", "5") cline.set_parameter("-outfile", out_file) self.assertEqual(str(eval(repr(cline))), str(cline)) #Run the tool, self.run_water(cline) #Check we can parse the output and it is sensible... self.pairwise_alignment_check(query, SeqIO.parse(in_file, "swiss"), AlignIO.parse(out_file, "emboss"), local=True) #Clean up, os.remove(out_file) def test_needle_piped2(self): """needle with asis trick, and nucleotide FASTA file, output piped to stdout.""" #TODO - Support needle in Bio.Emboss.Applications #(ideally with the -auto and -filter arguments) #Setup, query = "ACACACTCACACACACTTGGTCAGAGATGCTGTGCTTCTTGGAA" cline = exes["needle"] cline += " -asequence asis:" + query cline += " -bsequence Fasta/f002" cline += " -auto" # no prompting cline += " -filter" # use stdout #Run the tool, child = subprocess.Popen(str(cline), stdin=subprocess.PIPE, stdout=subprocess.PIPE, stderr=subprocess.PIPE, universal_newlines=True, shell=(sys.platform!="win32")) child.stdin.close() #Check we can parse the output and it is sensible... self.pairwise_alignment_check(query, SeqIO.parse("Fasta/f002", "fasta"), AlignIO.parse(child.stdout, "emboss"), local=False) #Check no error output: self.assertEqual(child.stderr.read(), "") self.assertEqual(0, child.wait()) child.stdout.close() child.stderr.close() def test_water_needs_output(self): """water without output file or stdout/filter should give error.""" cline = WaterCommandline(cmd=exes["water"], asequence="asis:ACCCGGGCGCGGT", bsequence="asis:ACCCGAGCGCGGT", gapopen=10, gapextend=0.5, auto=True) self.assertTrue(cline.auto) self.assertTrue(not cline.stdout) self.assertTrue(not cline.filter) self.assertEqual(cline.outfile, None) self.assertRaises(ValueError, str, cline) def test_needle_needs_output(self): """needle without output file or stdout/filter should give error.""" cline = NeedleCommandline(cmd=exes["needle"], asequence="asis:ACCCGGGCGCGGT", bsequence="asis:ACCCGAGCGCGGT", gapopen=10, gapextend=0.5, auto=True) self.assertTrue(cline.auto) self.assertTrue(not cline.stdout) self.assertTrue(not cline.filter) self.assertEqual(cline.outfile, None) self.assertRaises(ValueError, str, cline) def test_seqtmatchall_piped(self): """seqmatchall with pair output piped to stdout.""" cline = SeqmatchallCommandline(cmd=exes["seqmatchall"], sequence="Fasta/f002", aformat="pair", wordsize=9, auto=True, stdout=True) self.assertEqual(str(cline), exes["seqmatchall"] + " -auto -stdout" + " -sequence=Fasta/f002" + " -wordsize=9 -aformat=pair") #Run the tool, child = subprocess.Popen(str(cline), stdin=subprocess.PIPE, stdout=subprocess.PIPE, stderr=subprocess.PIPE, universal_newlines=True, shell=(sys.platform!="win32")) child.stdin.close() #Check we could read it's output for align in AlignIO.parse(child.stdout, "emboss") : self.assertEqual(len(align), 2) self.assertEqual(align.get_alignment_length(), 9) #Check no error output: self.assertEqual(child.stderr.read(), "") self.assertEqual(0, child.wait()) child.stdout.close() child.stderr.close() #Top level function as this makes it easier to use for debugging: def emboss_translate(sequence, table=None, frame=None): """Call transeq, returns protein sequence as string.""" #TODO - Support transeq in Bio.Emboss.Applications? #(doesn't seem worthwhile as Biopython can do translations) if not sequence: raise ValueError(sequence) #Setup, cline = exes["transeq"] if len(sequence) < 100: filename = None cline += " -sequence asis:%s" % sequence else: #There are limits on command line string lengths... #use a temp file instead. filename = "Emboss/temp_transeq.txt" SeqIO.write(SeqRecord(sequence, id="Test"), filename, "fasta") cline += " -sequence %s" % filename cline += " -auto" # no prompting cline += " -filter" # use stdout if table is not None: cline += " -table %s" % str(table) if frame is not None: cline += " -frame %s" % str(frame) #Run the tool, child = subprocess.Popen(str(cline), stdin=subprocess.PIPE, stdout=subprocess.PIPE, stderr=subprocess.PIPE, universal_newlines=True, shell=(sys.platform!="win32")) out, err = child.communicate() #Check no error output: if err != "": raise ValueError(str(cline) + "\n" + err) #Check we could read it's output record = SeqIO.read(StringIO(out), "fasta") if 0 != child.wait(): raise ValueError(str(cline)) if filename: os.remove(filename) if not record.id.startswith("Test"): raise ValueError(str(cline)) else: if not record.id.startswith("asis"): raise ValueError(str(cline)) return str(record.seq) #Top level function as this makes it easier to use for debugging: def check_translation(sequence, translation, table=None): if table is None: t = 1 else: t = table if translation != str(sequence.translate(t)) \ or translation != str(translate(sequence, t)) \ or translation != translate(str(sequence), t): #More details... for i, amino in enumerate(translation): codon = sequence[i*3:i*3+3] if amino != str(codon.translate(t)): raise ValueError("%s -> %s not %s (table %s)" % (codon, amino, codon.translate(t), t)) #Shouldn't reach this line: raise ValueError("%s -> %s (table %s)" % (sequence, translation, t)) return True class TranslationTests(unittest.TestCase): """Run pairwise alignments with water and needle, and parse them.""" def tearDown(self): clean_up() def test_simple(self): """transeq vs Bio.Seq for simple translations (including alt tables).""" examples = [Seq("ACGTGACTGACGTAGCATGCCACTAGG"), #Unamibguous TA? codons: Seq("TAATACTATTAG", generic_dna), #Most of the ambiguous TA? codons: Seq("TANTARTAYTAMTAKTAHTABTADTAV", generic_dna), #Problem cases, # #Seq("TAW", generic_dna), #W = A or T, but EMBOSS does TAW -> X #TAA -> Y, TAT ->Y, so in Biopython TAW -> Y # #Seq("TAS", generic_dna), #S = C or G, but EMBOSS does TAS -> Y #TAG -> *, TAC ->Y, so in Biopython TAS -> X (Y or *) # #Seq("AAS", generic_dna), #On table 9, EMBOSS gives N, we give X. #S = C or G, so according to my reading of #table 9 on the NCBI page, AAC=N, AAG=K #suggesting this is a bug in EMBOSS. # Seq("ACGGGGGGGGTAAGTGGTGTGTGTGTAGT", generic_dna), ] for sequence in examples: #EMBOSS treats spare residues differently... avoid this issue if len(sequence) % 3 != 0: sequence = sequence[:-(len(sequence)%3)] self.assertEqual(len(sequence) % 3, 0) self.assertTrue(len(sequence) > 0) self.check(sequence) def check(self, sequence): """Compare our translation to EMBOSS's using all tables. Takes a Seq object (and a filename containing it).""" translation = emboss_translate(sequence) self.assertTrue(check_translation(sequence, translation)) for table in [1, 2, 3, 4, 5, 6, 9, 10, 11, 12, 13, 14, 15, 16, 21, 22, 23]: translation = emboss_translate(sequence, table) self.assertTrue(check_translation(sequence, translation, table)) return True def translate_all_codons(self, letters): sequence = Seq("".join(c1+c3+c3 for c1 in letters for c2 in letters for c3 in letters), generic_nucleotide) self.check(sequence) #def test_all_ambig_dna_codons(self): # """transeq vs Bio.Seq on ambiguous DNA codons (inc. alt tables).""" # self.translate_all_codons(ambiguous_dna_letters) def test_all_unambig_dna_codons(self): """transeq vs Bio.Seq on unambiguous DNA codons (inc. alt tables).""" self.translate_all_codons("ATCGatcg") def test_all_unambig_rna_codons(self): """transeq vs Bio.Seq on unambiguous RNA codons (inc. alt tables).""" self.translate_all_codons("AUCGaucg") def test_mixed_unambig_rna_codons(self): """transeq vs Bio.Seq on unambiguous DNA/RNA codons (inc. alt tables).""" self.translate_all_codons("ATUCGatucg") def clean_up(): """Fallback clean up method to remove temp files.""" for filename in os.listdir("Emboss"): if filename.startswith("temp_"): try: os.remove(filename) except: pass if __name__ == "__main__": runner = unittest.TextTestRunner(verbosity = 2) unittest.main(testRunner=runner) clean_up()