Mercurial > repos > jjjjia > cpo_prediction
view cpo_galaxy_prediction.py @ 13:a14b12a71a53 draft
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author | jjjjia |
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date | Sat, 25 Aug 2018 20:56:37 -0400 |
parents | cabceaa239e4 |
children | 596bf8a792de |
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#!/home/jjjjia/.conda/envs/py36/bin/python #$ -S /home/jjjjia/.conda/envs/py36/bin/python #$ -V # Pass environment variables to the job #$ -N CPO_pipeline # Replace with a more specific job name #$ -wd /home/jjjjia/testCases # Use the current working dir #$ -pe smp 8 # Parallel Environment (how many cores) #$ -l h_vmem=11G # Memory (RAM) allocation *per core* #$ -e ./logs/$JOB_ID.err #$ -o ./logs/$JOB_ID.log #$ -m ea #$ -M bja20@sfu.ca #./prediction.py -i ~/testCases/cpoResults/contigs/BC11-Kpn005_S2.fa -m ~/testCases/predictionResultsQsubTest/predictions/BC11-Kpn005_S2.mlst -c ~/testCases/predictionResultsQsubTest/predictions/BC11-Kpn005_S2.recon/contig_report.txt -f ~/testCases/predictionResultsQsubTest/predictions/BC11-Kpn005_S2.recon/mobtyper_aggregate_report.txt -a ~/testCases/predictionResultsQsubTest/predictions/BC11-Kpn005_S2.cp -r ~/testCases/predictionResultsQsubTest/predictions/BC11-Kpn005_S2.rgi.txt -e "Klebsiella" import subprocess import pandas import optparse import os import datetime import sys import time import urllib.request import gzip import collections import json import numpy debug = False #debug skips the shell scripts and also dump out a ton of debugging messages if not debug: #parses some parameters parser = optparse.OptionParser("Usage: %prog [options] arg1 arg2 ...") #required #MLSTHIT, mobsuite, resfinder, rgi, mlstscheme parser.add_option("-i", "--id", dest="id", type="string", help="identifier of the isolate") parser.add_option("-m", "--mlst", dest="mlst", type="string", help="absolute file path to mlst result") parser.add_option("-c", "--mobfinderContig", dest="mobfinderContig", type="string", help="absolute path to mobfinder aggregate result") parser.add_option("-f", "--mobfinderAggregate", dest="mobfinderAggregate", type="string", help="absolute path to mobfinder plasmid results") parser.add_option("-a", "--abricate", dest="abricate", type="string", help="absolute path to abricate results") parser.add_option("-r", "--rgi", dest="rgi", type="string", help="absolute path to rgi results") parser.add_option("-e", "--expected", dest="expectedSpecies", default="NA/NA/NA", type="string", help="expected species of the isolate") parser.add_option("-s", "--mlst-scheme", dest="mlstScheme", default= "./scheme_species_map.tab", type="string", help="absolute file path to mlst scheme") parser.add_option("-p", "--plasmidfinder", dest="plasmidfinder", type="string", help="absolute file path to plasmidfinder ") #parallelization, useless, these are hard coded to 8cores/64G RAM #parser.add_option("-t", "--threads", dest="threads", default=8, type="int", help="number of cpu to use") #parser.add_option("-p", "--memory", dest="memory", default=64, type="int", help="memory to use in GB") (options,args) = parser.parse_args() #if len(args) != 8: #parser.error("incorrect number of arguments, all 7 is required") curDir = os.getcwd() ID = str(options.id).lstrip().rstrip() mlst = str(options.mlst).lstrip().rstrip() mobfindercontig = str(options.mobfinderContig).lstrip().rstrip() mobfinderaggregate = str(options.mobfinderAggregate).lstrip().rstrip() abricate = str(options.abricate).lstrip().rstrip() rgi = str(options.rgi).lstrip().rstrip() expectedSpecies = str(options.expectedSpecies).lstrip().rstrip() mlstScheme = str(options.mlstScheme).lstrip().rstrip() plasmidfinder = str(options.plasmidfinder).lstrip().rstrip() outputDir = "./" print(mlst) print(mobfindercontig) print(mobfinderaggregate) print(abricate) print(rgi) print(expectedSpecies) print(mlstScheme) else: curDir = os.getcwd() ID = "BC11" mlst = "D:\OneDrive\ProjectCDC\ProjectCDCInPython\ProjectCDCInPython\pipelineTest\predictions\BC11-Kpn005_S2.mlst" mobfindercontig = "D:\OneDrive\ProjectCDC\ProjectCDCInPython\ProjectCDCInPython\pipelineTest\predictions\BC11-Kpn005_S2.recon\contig_report.txt" mobfinderaggregate = "D:\OneDrive\ProjectCDC\ProjectCDCInPython\ProjectCDCInPython\pipelineTest\predictions\BC11-Kpn005_S2.recon\mobtyper_aggregate_report.txt" abricate = "D:\OneDrive\ProjectCDC\ProjectCDCInPython\ProjectCDCInPython\pipelineTest\predictions\BC11-Kpn005_S2.cp" rgi = "D:\OneDrive\ProjectCDC\ProjectCDCInPython\ProjectCDCInPython\pipelineTest\predictions\BC11-Kpn005_S2.rgi.txt" expectedSpecies = "Escherichia coli" mlstScheme = "D:\OneDrive\ProjectCDC\ProjectCDCInPython\ProjectCDCInPython\pipelineTest\scheme_species_map.tab" plasmidfinder = "D:\OneDrive\ProjectCDC\ProjectCDCInPython\ProjectCDCInPython\pipelineTest\predictions\BC11-Kpn005_S2.origins" outputDir = "./" #region result objects #define some objects to store values from results #//TODO this is not the proper way of get/set private object variables. every value has manually assigned defaults intead of specified in init(). Also, use property(def getVar, def setVar). class starFinders(object): def __init__(self): self.file = "" self.sequence = "" self.start = 0 self.end = 0 self.gene = "" self.shortGene = "" self.coverage = "" self.coverage_map = "" self.gaps = "" self.pCoverage = 100.00 self.pIdentity = 100.00 self.database = "" self.accession = "" self.product = "" self.source = "chromosome" self.row = "" class PlasFlowResult(object): def __init__(self): self.sequence = "" self.length = 0 self.label = "" self.confidence = 0 self.usefulRow = "" self.row = "" class MlstResult(object): def __init__(self): self.file = "" self.speciesID = "" self.seqType = 0 self.scheme = "" self.species = "" self.row="" class mobsuiteResult(object): def __init__(self): self.file_id = "" self.cluster_id = "" self.contig_id = "" self.contig_num = 0 self.contig_length = 0 self.circularity_status = "" self.rep_type = "" self.rep_type_accession = "" self.relaxase_type = "" self.relaxase_type_accession = "" self.mash_nearest_neighbor = "" self.mash_neighbor_distance = 0.00 self.repetitive_dna_id = "" self.match_type = "" self.score = 0 self.contig_match_start = 0 self.contig_match_end = 0 self.row = "" class mobsuitePlasmids(object): def __init__(self): self.file_id = "" self.num_contigs = 0 self.total_length = 0 self.gc = "" self.rep_types = "" self.rep_typeAccession = "" self.relaxase_type= "" self.relaxase_type_accession = "" self.mpf_type = "" self.mpf_type_accession= "" self.orit_type = "" self.orit_accession = "" self.PredictedMobility = "" self.mash_nearest_neighbor = "" self.mash_neighbor_distance = 0.00 self.mash_neighbor_cluster= 0 self.row = "" class RGIResult(object): def __init__(self): self.ORF_ID = "" self.Contig = "" self.Start = -1 self.Stop = -1 self.Orientation = "" self.Cut_Off = "" self.Pass_Bitscore = 100000 self.Best_Hit_Bitscore = 0.00 self.Best_Hit_ARO = "" self.Best_Identities = 0.00 self.ARO = 0 self.Model_type = "" self.SNPs_in_Best_Hit_ARO = "" self.Other_SNPs = "" self.Drug_Class = "" self.Resistance_Mechanism = "" self.AMR_Gene_Family = "" self.Predicted_DNA = "" self.Predicted_Protein = "" self.CARD_Protein_Sequence = "" self.Percentage_Length_of_Reference_Sequence = 0.00 self.ID = "" self.Model_ID = 0 self.source = "" self.row = "" #endregion #region useful functions def read(path): return [line.rstrip('\n') for line in open(path)] def execute(command): process = subprocess.Popen(command, shell=False, cwd=curDir, universal_newlines=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT) # Poll process for new output until finished while True: nextline = process.stdout.readline() if nextline == '' and process.poll() is not None: break sys.stdout.write(nextline) sys.stdout.flush() output = process.communicate()[0] exitCode = process.returncode if (exitCode == 0): return output else: raise subprocess.CalledProcessError(exitCode, command) def httpGetFile(url, filepath=""): if (filepath == ""): return urllib.request.urlretrieve(url) else: urllib.request.urlretrieve(url, filepath) return True def gunzip(inputpath="", outputpath=""): if (outputpath == ""): with gzip.open(inputpath, 'rb') as f: gzContent = f.read() return gzContent else: with gzip.open(inputpath, 'rb') as f: gzContent = f.read() with open(outputpath, 'wb') as out: out.write(gzContent) return True def ToJson(dictObject, outputPath): #outDir = outputDir + '/summary/' + ID + ".json/" #if not (os.path.exists(outDir)): #os.makedirs(outDir) #with open(outputPath, 'w') as f: #json.dump([ob.__dict__ for ob in dictObject.values()], f, ensure_ascii=False) return "" #endregion #region functions to parse result files def ParseMLSTResult(pathToMLSTResult, scheme): _mlstResult = {} scheme = pandas.read_csv(scheme, delimiter='\t', header=0) scheme = scheme.replace(numpy.nan, '', regex=True) taxon = {} #record the scheme as a dictionary taxon["-"] = "No MLST Match" for i in range(len(scheme.index)): key = scheme.iloc[i,0] if (str(scheme.iloc[i,2]) == "nan"): value = str(scheme.iloc[i,1]) else: value = str(scheme.iloc[i,1]) + " " + str(scheme.iloc[i,2]) if (key in taxon.keys()): taxon[key] = taxon.get(key) + ";" + value else: taxon[key] = value #read in the mlst result mlst = pandas.read_csv(pathToMLSTResult, delimiter='\t', header=None) _mlstHit = MlstResult() _mlstHit.file = mlst.iloc[0,0] _mlstHit.speciesID = (mlst.iloc[0,1]) _mlstHit.seqType = str(mlst.iloc[0,2]) for i in range(3, len(mlst.columns)): _mlstHit.scheme += mlst.iloc[0,i] + ";" _mlstHit.species = taxon[_mlstHit.speciesID] _mlstHit.row = "\t".join(str(x) for x in mlst.ix[0].tolist()) _mlstResult[_mlstHit.speciesID]=_mlstHit return _mlstResult def ParsePlasmidFinderResult(pathToPlasmidFinderResult): #pipelineTest/contigs/BC110-Kpn005.fa contig00019 45455 45758 IncFIC(FII)_1 8-308/499 ========/=..... 8/11 59.52 75.65 plasmidfinder AP001918 IncFIC(FII)_1__AP001918 #example resfinder: #pipelineTest/contigs/BC110-Kpn005.fa contig00038 256 1053 OXA-181 1-798/798 =============== 0/0 100.00 100.00 bccdc AEP16366.1 OXA-48 family carbapenem-hydrolyzing class D beta-lactamase OXA-181 _pFinder = {} #*********************** plasmidFinder = pandas.read_csv(pathToPlasmidFinderResult, delimiter='\t', header=0) plasmidFinder = plasmidFinder.replace(numpy.nan, '', regex=True) for i in range(len(plasmidFinder.index)): pf = starFinders() pf.file = str(plasmidFinder.iloc[i,0]) pf.sequence = str(plasmidFinder.iloc[i,1]) pf.start = int(plasmidFinder.iloc[i,2]) pf.end = int(plasmidFinder.iloc[i,3]) pf.gene = str(plasmidFinder.iloc[i,4]) pf.shortGene = pf.gene[:pf.gene.index("_")] pf.coverage = str(plasmidFinder.iloc[i,5]) pf.coverage_map = str(plasmidFinder.iloc[i,6]) pf.gaps = str(plasmidFinder.iloc[i,7]) pf.pCoverage = float(plasmidFinder.iloc[i,8]) pf.pIdentity = float(plasmidFinder.iloc[i,9]) pf.database = str(plasmidFinder.iloc[i,10]) pf.accession = str(plasmidFinder.iloc[i,11]) pf.product = str(plasmidFinder.iloc[i,12]) pf.source = "plasmid" pf.row = "\t".join(str(x) for x in plasmidFinder.ix[i].tolist()) _pFinder[pf.gene]=pf #row = "\t".join(str(x) for x in plasmidFinder.ix[i].tolist()) #plasmidFinderContigs.append(str(plasmidFinder.iloc[i,1])) #origins.append(str(plasmidFinder.iloc[i,4][:plasmidFinder.iloc[i,4].index("_")])) return _pFinder def ParseMobsuiteResult(pathToMobsuiteResult): _mobsuite = {} mResult = pandas.read_csv(pathToMobsuiteResult, delimiter='\t', header=0) mResult = mResult.replace(numpy.nan, '', regex=True) for i in range(len(mResult.index)): mr = mobsuiteResult() mr.file_id = str(mResult.iloc[i,0]) mr.cluster_id = str(mResult.iloc[i,1]) if (mr.cluster_id == "chromosome"): break mr.contig_id = str(mResult.iloc[i,2]) mr.contig_num = mr.contig_id[(mr.contig_id.find("contig")+6):mr.contig_id.find("_len=")] mr.contig_length = int(mResult.iloc[i,3]) mr.circularity_status = str(mResult.iloc[i,4]) mr.rep_type = str(mResult.iloc[i,5]) mr.rep_type_accession = str(mResult.iloc[i,6]) mr.relaxase_type = str(mResult.iloc[i,7]) mr.relaxase_type_accession = str(mResult.iloc[i,8]) mr.mash_nearest_neighbor = str(mResult.iloc[i,9]) mr.mash_neighbor_distance = float(mResult.iloc[i,10]) mr.repetitive_dna_id = str(mResult.iloc[i,11]) mr.match_type = str(mResult.iloc[i,12]) if (mr.match_type == ""): mr.score = -1 mr.contig_match_start = -1 mr.contig_match_end = -1 else: mr.score = int(mResult.iloc[i,13]) mr.contig_match_start = int(mResult.iloc[i,14]) mr.contig_match_end = int(mResult.iloc[i,15]) mr.row = "\t".join(str(x) for x in mResult.ix[i].tolist()) _mobsuite[mr.contig_id]=(mr) return _mobsuite def ParseMobsuitePlasmids(pathToMobsuiteResult): _mobsuite = {} mResults = pandas.read_csv(pathToMobsuiteResult, delimiter='\t', header=0) mResults = mResults.replace(numpy.nan, '', regex=True) for i in range(len(mResults.index)): mr = mobsuitePlasmids() mr.file_id = str(mResults.iloc[i,0]) mr.num_contigs = int(mResults.iloc[i,1]) mr.total_length = int(mResults.iloc[i,2]) mr.gc = int(mResults.iloc[i,3]) mr.rep_types = str(mResults.iloc[i,4]) mr.rep_typeAccession = str(mResults.iloc[i,5]) mr.relaxase_type = str(mResults.iloc[i,6]) mr.relaxase_type_accession = str(mResults.iloc[i,7]) mr.mpf_type = str(mResults.iloc[i,8]) mr.mpf_type_accession = str(mResults.iloc[i,9]) mr.orit_type = str(mResults.iloc[i,10]) mr.orit_accession = str(mResults.iloc[i,11]) mr.PredictedMobility = str(mResults.iloc[i,12]) mr.mash_nearest_neighbor = str(mResults.iloc[i,13]) mr.mash_neighbor_distance = float(mResults.iloc[i,14]) mr.mash_neighbor_cluster = int(mResults.iloc[i,15]) mr.row = "\t".join(str(x) for x in mResults.ix[i].tolist()) _mobsuite[mr.file_id] = mr return _mobsuite def ParseResFinderResult(pathToResFinderResults, plasmidContigs, likelyPlasmidContigs): _rFinder = {} resFinder = pandas.read_csv(pathToResFinderResults, delimiter='\t', header=0) resFinder = resFinder.replace(numpy.nan, '', regex=True) for i in range(len(resFinder.index)): rf = starFinders() rf.file = str(resFinder.iloc[i,0]) rf.sequence = str(resFinder.iloc[i,1]) rf.start = int(resFinder.iloc[i,2]) rf.end = int(resFinder.iloc[i,3]) rf.gene = str(resFinder.iloc[i,4]) rf.shortGene = rf.gene rf.coverage = str(resFinder.iloc[i,5]) rf.coverage_map = str(resFinder.iloc[i,6]) rf.gaps = str(resFinder.iloc[i,7]) rf.pCoverage = float(resFinder.iloc[i,8]) rf.pIdentity = float(resFinder.iloc[i,9]) rf.database = str(resFinder.iloc[i,10]) rf.accession = str(resFinder.iloc[i,11]) rf.product = str(resFinder.iloc[i,12]) rf.row = "\t".join(str(x) for x in resFinder.ix[i].tolist()) if (rf.sequence[6:] in plasmidContigs): rf.source = "plasmid" elif (rf.sequence[6:] in likelyPlasmidContigs): rf.source = "likely plasmid" else: rf.source = "likely chromosome" _rFinder[rf.gene]=rf return _rFinder def ParseRGIResult(pathToRGIResults, plasmidContigs, likelyPlasmidContigs): _rgiR = {} RGI = pandas.read_csv(pathToRGIResults, delimiter='\t', header=0) RGI = RGI.replace(numpy.nan, '', regex=True) for i in range(len(RGI.index)): r = RGIResult() r.ORF_ID = str(RGI.iloc[i,0]) r.Contig = str(RGI.iloc[i,1]) r.Contig_Num = r.Contig[6:r.Contig.find("_")] r.Start = int(RGI.iloc[i,2]) r.Stop = int(RGI.iloc[i,3]) r.Orientation = str(RGI.iloc[i,4]) r.Cut_Off = str(RGI.iloc[i,5]) r.Pass_Bitscore = int(RGI.iloc[i,6]) r.Best_Hit_Bitscore = float(RGI.iloc[i,7]) r.Best_Hit_ARO = str(RGI.iloc[i,8]) r.Best_Identities = float(RGI.iloc[i,9]) r.ARO = int(RGI.iloc[i,10]) r.Model_type = str(RGI.iloc[i,11]) r.SNPs_in_Best_Hit_ARO = str(RGI.iloc[i,12]) r.Other_SNPs = str(RGI.iloc[i,13]) r.Drug_Class = str(RGI.iloc[i,14]) r.Resistance_Mechanism = str(RGI.iloc[i,15]) r.AMR_Gene_Family = str(RGI.iloc[i,16]) r.Predicted_DNA = str(RGI.iloc[i,17]) r.Predicted_Protein = str(RGI.iloc[i,18]) r.CARD_Protein_Sequence = str(RGI.iloc[i,19]) r.Percentage_Length_of_Reference_Sequence = float(RGI.iloc[i,20]) r.ID = str(RGI.iloc[i,21]) r.Model_ID = int(RGI.iloc[i,22]) r.row = "\t".join(str(x) for x in RGI.ix[i].tolist()) if (r.Contig_Num in plasmidContigs): r.source = "plasmid" elif (r.Contig_Num in likelyPlasmidContigs): r.source = "likely plasmid" else: r.source = "likely chromosome" _rgiR[r.Model_ID]=r return _rgiR def ParsePlasmidFinderResult(pathToPlasmidFinderResult): #pipelineTest/contigs/BC110-Kpn005.fa contig00019 45455 45758 IncFIC(FII)_1 8-308/499 ========/=..... 8/11 59.52 75.65 plasmidfinder AP001918 IncFIC(FII)_1__AP001918 #example resfinder: #pipelineTest/contigs/BC110-Kpn005.fa contig00038 256 1053 OXA-181 1-798/798 =============== 0/0 100.00 100.00 bccdc AEP16366.1 OXA-48 family carbapenem-hydrolyzing class D beta-lactamase OXA-181 _pFinder = {} #*********************** plasmidFinder = pandas.read_csv(pathToPlasmidFinderResult, delimiter='\t', header=0) for i in range(len(plasmidFinder.index)): pf = starFinders() pf.file = str(plasmidFinder.iloc[i,0]) pf.sequence = str(plasmidFinder.iloc[i,1]) pf.start = int(plasmidFinder.iloc[i,2]) pf.end = int(plasmidFinder.iloc[i,3]) pf.gene = str(plasmidFinder.iloc[i,4]) if (pf.gene.find("_") > -1): pf.shortGene = pf.gene[:pf.gene.index("_")] else: pf.shortGene = pf.gene pf.coverage = str(plasmidFinder.iloc[i,5]) pf.coverage_map = str(plasmidFinder.iloc[i,6]) pf.gaps = str(plasmidFinder.iloc[i,7]) pf.pCoverage = float(plasmidFinder.iloc[i,8]) pf.pIdentity = float(plasmidFinder.iloc[i,9]) pf.database = str(plasmidFinder.iloc[i,10]) pf.accession = str(plasmidFinder.iloc[i,11]) pf.product = str(plasmidFinder.iloc[i,12]) pf.source = "plasmid" pf.row = "\t".join(str(x) for x in plasmidFinder.ix[i].tolist()) _pFinder[pf.gene]=pf #row = "\t".join(str(x) for x in plasmidFinder.ix[i].tolist()) #plasmidFinderContigs.append(str(plasmidFinder.iloc[i,1])) #origins.append(str(plasmidFinder.iloc[i,4][:plasmidFinder.iloc[i,4].index("_")])) return _pFinder #endregion def Main(): outputDir = "./" notes = [] #init the output list output = [] jsonOutput = [] print(str(datetime.datetime.now()) + "\n\nID: " + ID + "\nAssembly: " + ID) output.append(str(datetime.datetime.now()) + "\n\nID: " + ID + "\nAssembly: " + ID) #region parse the mlst results print("step 3: parsing mlst, plasmid, and amr results") print("identifying MLST") mlstHit = ParseMLSTResult(mlst, str(mlstScheme))#*********************** ToJson(mlstHit, "mlst.json") #write it to a json output mlstHit = list(mlstHit.values())[0] #endregion #region parse mobsuite, resfinder and rgi results print("identifying plasmid contigs and amr genes") plasmidContigs = [] likelyPlasmidContigs = [] origins = [] #parse mobsuite results mSuite = ParseMobsuiteResult(mobfindercontig) #outputDir + "/predictions/" + ID + ".recon/contig_report.txt")#************* ToJson(mSuite, "mobsuite.json") #************* mSuitePlasmids = ParseMobsuitePlasmids(mobfinderaggregate)#outputDir + "/predictions/" + ID + ".recon/mobtyper_aggregate_report.txt")#************* ToJson(mSuitePlasmids, "mobsuitePlasmids.json") #************* for key in mSuite: if mSuite[key].contig_num not in plasmidContigs and mSuite[key].contig_num not in likelyPlasmidContigs: if not (mSuite[key].rep_type == ''): plasmidContigs.append(mSuite[key].contig_num) else: likelyPlasmidContigs.append(mSuite[key].contig_num) for key in mSuite: if mSuite[key].rep_type not in origins: origins.append(mSuite[key].rep_type) #parse resfinder AMR results pFinder = ParsePlasmidFinderResult(plasmidfinder) ToJson(pFinder, "origins.json") rFinder = ParseResFinderResult(abricate, plasmidContigs, likelyPlasmidContigs)#outputDir + "/predictions/" + ID + ".cp", plasmidContigs, likelyPlasmidContigs) #********************** ToJson(rFinder, "resfinder.json") #************* rgiAMR = ParseRGIResult(rgi, plasmidContigs, likelyPlasmidContigs) # outputDir + "/predictions/" + ID + ".rgi.txt", plasmidContigs, likelyPlasmidContigs)#*********************** ToJson(rgiAMR, "rgi.json") #************* carbapenamases = [] resfinderCarbas = [] #list of rfinder objects for lindaout list amrGenes = [] for keys in rFinder: carbapenamases.append(rFinder[keys].shortGene + "(" + rFinder[keys].source + ")") resfinderCarbas.append(rFinder[keys]) for keys in rgiAMR: if (rgiAMR[keys].Drug_Class.find("carbapenem") > -1 and rgiAMR[keys].AMR_Gene_Family.find("beta-lactamase") > -1): if (rgiAMR[keys].Best_Hit_ARO not in carbapenamases): carbapenamases.append(rgiAMR[keys].Best_Hit_ARO+ "(" + rgiAMR[keys].source + ")") else: if (rgiAMR[keys].Best_Hit_ARO not in amrGenes): amrGenes.append(rgiAMR[keys].Best_Hit_ARO+ "(" + rgiAMR[keys].source + ")") #endregion #region output parsed mlst information print("formatting mlst outputs") output.append("\n\n\n~~~~~~~MLST summary~~~~~~~") output.append("MLST determined species: " + mlstHit.species) output.append("\nMLST Details: ") output.append(mlstHit.row) output.append("\nMLST information: ") if (mlstHit.species == expectedSpecies): output.append("MLST determined species is the same as expected species") #notes.append("MLST determined species is the same as expected species") else: output.append("!!!MLST determined species is NOT the same as expected species, contamination? mislabeling?") notes.append("MLST: Not expected species. Possible contamination or mislabeling") #endregion #region output the parsed plasmid/amr results output.append("\n\n\n~~~~~~~~Plasmids~~~~~~~~\n") output.append("predicted plasmid origins: ") output.append(";".join(origins)) output.append("\ndefinitely plasmid contigs") output.append(";".join(plasmidContigs)) output.append("\nlikely plasmid contigs") output.append(";".join(likelyPlasmidContigs)) output.append("\nmob-suite prediction details: ") for key in mSuite: output.append(mSuite[key].row) output.append("\n\n\n~~~~~~~~AMR Genes~~~~~~~~\n") output.append("predicted carbapenamase Genes: ") output.append(",".join(carbapenamases)) output.append("other RGI AMR Genes: ") for key in rgiAMR: output.append(rgiAMR[key].Best_Hit_ARO + "(" + rgiAMR[key].source + ")") output.append("\nDetails about the carbapenamase Genes: ") for key in rFinder: output.append(rFinder[key].row) output.append("\nDetails about the RGI AMR Genes: ") for key in rgiAMR: output.append(rgiAMR[key].row) #write summary to a file summaryDir = outputDir + "/summary/" + ID out = open("summary.txt", 'w') for item in output: out.write("%s\n" % item) #TSV output lindaOut = [] tsvOut = [] lindaOut.append("ID\tQUALITY\tExpected Species\tMLST Scheme\tSequence Type\tMLST_ALLELE_1\tMLST_ALLELE_2\tMLST_ALLELE_3\tMLST_ALLELE_4\tMLST_ALLELE_5\tMLST_ALLELE_6\tMLST_ALLELE_7\tSEROTYPE\tK_CAPSULE\tPLASMID_2_RFLP\tPLASMID_1_FAMILY\tPLASMID_1_BEST_MATCH\tPLASMID_1_COVERAGE\tPLASMID_1_SNVS_TO_BEST_MATCH\tPLASMID_1_CARBAPENEMASE\tPLASMID_1_INC_GROUP\tPLASMID_2_RFLP\tPLASMID_2_FAMILY\tPLASMID_2_BEST_MATCH\tPLASMID_2_COVERAGE\tPLASMID_2_SNVS_TO_BEST_MATCH\tPLASMID_2_CARBAPENEMASE\tPLASMID_2_INC_GROUP") lindaTemp = ID + "\t" #id lindaTemp += "\t" #quality lindaTemp += expectedSpecies + "\t" #expected lindaTemp += mlstHit.species + "\t" #mlstscheme lindaTemp += str(mlstHit.seqType) + "\t" #seq type lindaTemp += "\t".join(mlstHit.scheme.split(";")) + "\t"#mlst alleles x 7 lindaTemp += "\t\t" #sero and kcap #resfinderCarbas for carbs in resfinderCarbas: if (carbs.source == "plasmid"): # lindaTemp += "\t\t\t\t\t" #plasmid 1 rflp plasmid 1 family information. PLASMID_1_FAMILY\tPLASMID_1_BEST_MATCH\tPLASMID_1_COVERAGE\tPLASMID_1_SNVS_TO_BEST_MATCH lindaTemp += carbs.shortGene + "\t" #found an carbapenase contig = carbs.sequence[6:] #this is the contig number for i in mSuite.keys(): if (str(mSuite[i].contig_num) == str(contig)): #found the right plasmid lindaTemp += mSuite[i].rep_type lindaOut.append(lindaTemp) out = open("summary.linda.tsv", 'w') for item in lindaOut: out.write("%s\n" % item) tsvOut.append("new\tID\tExpected Species\tMLST Species\tSequence Type\tMLST Scheme\tCarbapenem Resistance Genes\tOther AMR Genes\tTotal Plasmids\tPlasmids ID\tNum_Contigs\tPlasmid Length\tPlasmid RepType\tPlasmid Mobility\tNearest Reference\tDefinitely Plasmid Contigs\tLikely Plasmid Contigs") #start with ID temp = "\t" temp += (ID + "\t") temp += expectedSpecies + "\t" #move into MLST temp += mlstHit.species + "\t" temp += str(mlstHit.seqType) + "\t" temp += mlstHit.scheme + "\t" #now onto AMR genes temp += ";".join(carbapenamases) + "\t" temp += ";".join(amrGenes) + "\t" #lastly plasmids temp+= str(len(mSuitePlasmids)) + "\t" plasmidID = "" contigs = "" lengths = "" rep_type = "" mobility = "" neighbour = "" for keys in mSuitePlasmids: plasmidID += str(mSuitePlasmids[keys].mash_neighbor_cluster) + ";" contigs += str(mSuitePlasmids[keys].num_contigs) + ";" lengths += str(mSuitePlasmids[keys].total_length) + ";" rep_type += str(mSuitePlasmids[keys].rep_types) + ";" mobility += str(mSuitePlasmids[keys].PredictedMobility) + ";" neighbour += str(mSuitePlasmids[keys].mash_nearest_neighbor) + ";" temp += plasmidID + "\t" + contigs + "\t" + lengths + "\t" + rep_type + "\t" + mobility + "\t" + neighbour + "\t" temp += ";".join(plasmidContigs) + "\t" temp += ";".join(likelyPlasmidContigs) tsvOut.append(temp) summaryDir = outputDir + "/summary/" + ID out = open("summary.tsv", 'w') for item in tsvOut: out.write("%s\n" % item) #endregion start = time.time()#time the analysis print("Starting workflow...") #analysis time Main() end = time.time() print("Finished!\nThe analysis used: " + str(end-start) + " seconds")