Adds a reader for NGS filter files and change some API for the apat library

cmd/obitools/obimultiplex/main.go

@@ -0,0 +1,34 @@
+package main
+
+import (
+	"os"
+
+	"git.metabarcoding.org/lecasofts/go/obitools/pkg/obioptions"
+	"git.metabarcoding.org/lecasofts/go/obitools/pkg/obitools/obiconvert"
+	"git.metabarcoding.org/lecasofts/go/obitools/pkg/obitools/obipcr"
+)
+
+func main() {
+
+	// f, err := os.Create("cpu.pprof")
+	// if err != nil {
+	// 	log.Fatal(err)
+	// }
+	// pprof.StartCPUProfile(f)
+	// defer pprof.StopCPUProfile()
+
+	// ftrace, err := os.Create("cpu.trace")
+	// if err != nil {
+	// 	log.Fatal(err)
+	// }
+	// trace.Start(ftrace)
+	// defer trace.Stop()
+
+	optionParser := obioptions.GenerateOptionParser(obipcr.OptionSet)
+
+	_, args, _ := optionParser(os.Args)
+
+	sequences, _ := obiconvert.ReadBioSequencesBatch(args...)
+	amplicons, _ := obipcr.PCR(sequences)
+	obiconvert.WriteBioSequencesBatch(amplicons, true)
+}

cmd/obitools/obipcr/main.go

@@ -1,7 +1,9 @@
 package main
 
 import (
+	"log"
 	"os"
+	"runtime/trace"
 
 	"git.metabarcoding.org/lecasofts/go/obitools/pkg/obioptions"
 	"git.metabarcoding.org/lecasofts/go/obitools/pkg/obitools/obiconvert"
@@ -10,6 +12,7 @@ import (
 
 func main() {
 
+	// go tool pprof -http=":8000" ./obipairing ./cpu.pprof
 	// f, err := os.Create("cpu.pprof")
 	// if err != nil {
 	// 	log.Fatal(err)
@@ -17,12 +20,13 @@ func main() {
 	// pprof.StartCPUProfile(f)
 	// defer pprof.StopCPUProfile()
 
-	// ftrace, err := os.Create("cpu.trace")
-	// if err != nil {
-	// 	log.Fatal(err)
-	// }
-	// trace.Start(ftrace)
-	// defer trace.Stop()
+	// go tool trace cpu.trace
+	ftrace, err := os.Create("cpu.trace")
+	if err != nil {
+		log.Fatal(err)
+	}
+	trace.Start(ftrace)
+	defer trace.Stop()
 
 	optionParser := obioptions.GenerateOptionParser(obipcr.OptionSet)
 

cmd/test/main.go

@@ -6,7 +6,8 @@ import (
 	"os"
 	"runtime/trace"
 
-	"git.metabarcoding.org/lecasofts/go/obitools/pkg/obialign"
+	"git.metabarcoding.org/lecasofts/go/obitools/pkg/obiapat"
+	"git.metabarcoding.org/lecasofts/go/obitools/pkg/obiformats"
 	"git.metabarcoding.org/lecasofts/go/obitools/pkg/obiseq"
 )
 
@@ -41,27 +42,17 @@ func main() {
 	// }
 
 	A := []byte("ccgcctccttagaacaggctcctctagaaaaccatagtgggatatctaaagaaggcggagatagaaagagcggttcagcaggaatgccgagatggacggcgtgtgacg")
-	B := []byte("cgccaccaccgagatctacactctttccctacacgacgctcttccgatctccgcctccttagaacaggctcctctagaaaagcatagtggggtatctaaaggaggcgg")
+	// B := []byte("cgccaccaccgagatctacactctttccctacacgacgctcttccgatctccgcctccttagaacaggctcctctagaaaagcatagtggggtatctaaaggaggcgg")
 	sA := obiseq.MakeBioSequence("A", A, "")
-	sB := obiseq.MakeBioSequence("B", B, "")
+	// sB := obiseq.MakeBioSequence("B", B, "")
 
-	fmt.Println(string(sA.Sequence()))
-	fmt.Println(sA.Qualities())
-	fmt.Println(string(sB.Sequence()))
-	fmt.Println(sB.Qualities())
+	pat, _ := obiapat.MakeApatPattern("TCCTTCCAACAGGCTCCTC", 3)
+	as, _ := obiapat.MakeApatSequence(sA, false)
+	fmt.Println(pat.FindAllIndex(as))
 
-	score, path := obialign.PELeftAlign(sA, sB, 2, obialign.NilPEAlignArena)
-	fmt.Printf("Score : %d Path : %v\n", score, path)
-	score, path = obialign.PERightAlign(sA, sB, 2, obialign.NilPEAlignArena)
-	fmt.Printf("Score : %d Path : %v\n", score, path)
+	file, _ := os.Open("sample/wolf_diet_ngsfilter.txt")
+	xxx, _ := obiformats.ReadNGSFilter(file)
 
-	fmt.Println(string(sA.Sequence()))
-	sA.ReverseComplement(true)
-	fmt.Println(string(sA.Sequence()))
-	fmt.Println(string(sA.Id()))
-
-	sA.Reset()
-	fmt.Println(sA.Length())
-	fmt.Println(sA.String())
+	fmt.Println(xxx)
 
 }

pkg/obiapat/pattern.go

@@ -202,8 +202,6 @@ func (pattern ApatPattern) FindAllIndex(sequence ApatSequence, limits ...int) (l
 		C.int32_t(begin),
 		C.int32_t(length+C.MAX_PAT_LEN)))
 
-	//log.Printf("match count : %d\n", nhits)
-
 	if nhits == 0 {
 		return nil
 	}

pkg/obiapat/pcr.go

@@ -1,6 +1,8 @@
 package obiapat
 
 import (
+	"log"
+
 	"git.metabarcoding.org/lecasofts/go/obitools/pkg/goutils"
 	"git.metabarcoding.org/lecasofts/go/obitools/pkg/obiseq"
 )
@@ -14,6 +16,10 @@ type _Options struct {
 	bufferSize      int
 	batchSize       int
 	parallelWorkers int
+	forward         ApatPattern
+	cfwd            ApatPattern
+	reverse         ApatPattern
+	crev            ApatPattern
 }
 
 // Options stores a set of option usable by the
@@ -90,6 +96,10 @@ func MakeOptions(setters []WithOption) Options {
 		parallelWorkers: 4,
 		batchSize:       100,
 		bufferSize:      100,
+		forward:         NilApatPattern,
+		cfwd:            NilApatPattern,
+		reverse:         NilApatPattern,
+		crev:            NilApatPattern,
 	}
 
 	opt := Options{&o}
@@ -126,19 +136,41 @@ func OptionMaxLength(maxLength int) WithOption {
 // OptionForwardError sets the number of
 // error allowed when matching the forward
 // primer.
-func OptionForwardError(max int) WithOption {
+func OptionForwardPrimer(primer string, max int) WithOption {
 	f := WithOption(func(opt Options) {
+		var err error
+
+		opt.pointer.forward, err = MakeApatPattern(primer, max)
+		if err != nil {
+			log.Fatalf("error : %v\n", err)
+		}
+
+		opt.pointer.cfwd, err = opt.pointer.forward.ReverseComplement()
+		if err != nil {
+			log.Fatalf("error : %v\n", err)
+		}
 		opt.pointer.forwardError = max
 	})
 
 	return f
 }
 
-// OptionReverseError sets the number of
-// error allowed when matching the reverse
+// OptionForwardError sets the number of
+// error allowed when matching the forward
 // primer.
-func OptionReverseError(max int) WithOption {
+func OptionReversePrimer(primer string, max int) WithOption {
 	f := WithOption(func(opt Options) {
+		var err error
+
+		opt.pointer.reverse, err = MakeApatPattern(primer, max)
+		if err != nil {
+			log.Fatalf("error : %v\n", err)
+		}
+
+		opt.pointer.crev, err = opt.pointer.reverse.ReverseComplement()
+		if err != nil {
+			log.Fatalf("error : %v\n", err)
+		}
 		opt.pointer.reverseError = max
 	})
 
@@ -185,14 +217,37 @@ func OptionBatchSize(size int) WithOption {
 	return f
 }
 
-func _Pcr(seq ApatSequence, sequence obiseq.BioSequence,
-	forward, cfwd, reverse, crev ApatPattern,
+func (options Options) Free() {
+	if options.pointer.forward.pointer != nil {
+		options.pointer.forward.Free()
+	}
+
+	if options.pointer.cfwd.pointer != nil {
+		options.pointer.cfwd.Free()
+	}
+
+	if options.pointer.reverse.pointer != nil {
+		options.pointer.reverse.Free()
+	}
+
+	if options.pointer.crev.pointer != nil {
+		options.pointer.crev.Free()
+	}
+}
+
+func _Pcr(seq ApatSequence,
+	sequence obiseq.BioSequence,
 	opt Options) obiseq.BioSequenceSlice {
 	results := make(obiseq.BioSequenceSlice, 0, 10)
 
+	forward := opt.pointer.forward
+	cfwd := opt.pointer.cfwd
+	reverse := opt.pointer.reverse
+	crev := opt.pointer.crev
+
 	forwardMatches := forward.FindAllIndex(seq)
 
-	if forwardMatches != nil {
+	if len(forwardMatches) > 0 {
 
 		begin := forwardMatches[0][0]
 		length := seq.Length() - begin
@@ -262,7 +317,6 @@ func _Pcr(seq ApatSequence, sequence obiseq.BioSequence,
 	}
 
 	forwardMatches = reverse.FindAllIndex(seq)
-
 	if forwardMatches != nil {
 
 		begin := forwardMatches[0][0]
@@ -340,28 +394,15 @@ func _Pcr(seq ApatSequence, sequence obiseq.BioSequence,
 // obiseq.BioSequence instance. PCR parameters are
 // specified using the corresponding Option functions
 // defined for the PCR algorithm.
-func PCR(sequence obiseq.BioSequence,
-	forward, reverse string, options ...WithOption) obiseq.BioSequenceSlice {
+func PCR(sequence obiseq.BioSequence, options ...WithOption) obiseq.BioSequenceSlice {
 
 	opt := MakeOptions(options)
+	defer opt.Free()
 
 	seq, _ := MakeApatSequence(sequence, opt.Circular())
+	defer seq.Free()
 
-	fwd, _ := MakeApatPattern(forward, opt.ForwardError())
-	rev, _ := MakeApatPattern(reverse, opt.ReverseError())
-	cfwd, _ := fwd.ReverseComplement()
-	crev, _ := rev.ReverseComplement()
-
-	results := _Pcr(seq, sequence,
-		fwd, cfwd, rev, crev,
-		opt)
-
-	seq.Free()
-
-	fwd.Free()
-	rev.Free()
-	cfwd.Free()
-	crev.Free()
+	results := _Pcr(seq, sequence, opt)
 
 	return results
 }
@@ -372,32 +413,24 @@ func PCR(sequence obiseq.BioSequence,
 // specified using the corresponding Option functions
 // defined for the PCR algorithm.
 func PCRSlice(sequences obiseq.BioSequenceSlice,
-	forward, reverse string, options ...WithOption) obiseq.BioSequenceSlice {
+	options ...WithOption) obiseq.BioSequenceSlice {
 
 	results := make(obiseq.BioSequenceSlice, 0, len(sequences))
 
 	opt := MakeOptions(options)
-
-	fwd, _ := MakeApatPattern(forward, opt.ForwardError())
-	rev, _ := MakeApatPattern(reverse, opt.ReverseError())
-	cfwd, _ := fwd.ReverseComplement()
-	crev, _ := rev.ReverseComplement()
+	defer opt.Free()
 
 	if len(sequences) > 0 {
 		seq, _ := MakeApatSequence(sequences[0], opt.Circular())
-		amplicons := _Pcr(seq, sequences[0],
-			fwd, cfwd, rev, crev,
-			opt)
+		amplicons := _Pcr(seq, sequences[0], opt)
 
 		if len(amplicons) > 0 {
 			results = append(results, amplicons...)
 		}
 
 		for _, sequence := range sequences[1:] {
-			seq, _ := MakeApatSequence(sequence, opt.Circular(), seq)
-			amplicons = _Pcr(seq, sequence,
-				fwd, cfwd, rev, crev,
-				opt)
+			seq, _ = MakeApatSequence(sequence, opt.Circular(), seq)
+			amplicons = _Pcr(seq, sequence, opt)
 			if len(amplicons) > 0 {
 				results = append(results, amplicons...)
 			}
@@ -406,21 +439,15 @@ func PCRSlice(sequences obiseq.BioSequenceSlice,
 		seq.Free()
 	}
 
-	fwd.Free()
-	rev.Free()
-	cfwd.Free()
-	crev.Free()
-
 	return results
 }
 
 // PCRSliceWorker is a worker function builder which produce
 // job function usable by the obiseq.MakeISliceWorker function.
-func PCRSliceWorker(forward, reverse string,
-	options ...WithOption) obiseq.SeqSliceWorker {
+func PCRSliceWorker(options ...WithOption) obiseq.SeqSliceWorker {
 
 	worker := func(sequences obiseq.BioSequenceSlice) obiseq.BioSequenceSlice {
-		return PCRSlice(sequences, forward, reverse, options...)
+		return PCRSlice(sequences, options...)
 	}
 
 	return worker

pkg/obiformats/embl_read.go

@@ -184,8 +184,8 @@ func ReadEMBLBatch(reader io.Reader, options ...WithOption) obiseq.IBioSequenceB
 
 	newIter := obiseq.MakeIBioSequenceBatch(opt.BufferSize())
 
-	// newIter.Add(opt.ParallelWorkers())
-	newIter.Add(2)
+	nworkers := opt.ParallelWorkers()
+	newIter.Add(nworkers)
 
 	go func() {
 		newIter.Wait()
@@ -196,7 +196,7 @@ func ReadEMBLBatch(reader io.Reader, options ...WithOption) obiseq.IBioSequenceB
 	}()
 
 	// for j := 0; j < opt.ParallelWorkers(); j++ {
-	for j := 0; j < 2; j++ {
+	for j := 0; j < nworkers; j++ {
 		go _ParseEmblFile(entry_channel, newIter)
 	}
 

pkg/obiformats/fastseq_obi_header.go

@@ -173,16 +173,11 @@ func __is_false__(text []byte) bool {
 		bytes.Equal(text, __FALSE__)
 }
 
-func ParseFastSeqOBIHeader(sequence obiseq.BioSequence) {
-	definition := []byte(sequence.Definition())
-	annotations := sequence.Annotations()
-
-	// all_matches := __obi_header_pattern__.FindAllSubmatchIndex(definition, -1)
+func ParseOBIFeatures(text string, annotations obiseq.Annotation) string {
 
+	definition := []byte(text)
 	d := definition
 
-	//for m := __obi_header_key_pattern__.FindIndex(definition); len(m) > 0; {
-	//fmt.Println(string(definition[0:20]), __match__key__(definition))
 	for m := __match__key__(definition); len(m) > 0; {
 		var bvalue []byte
 		var value interface{}
@@ -263,7 +258,16 @@ func ParseFastSeqOBIHeader(sequence obiseq.BioSequence) {
 		m = __match__key__(d)
 	}
 
-	sequence.SetDefinition(string(bytes.TrimSpace(d)))
+	return string(bytes.TrimSpace(d))
+}
+
+func ParseFastSeqOBIHeader(sequence obiseq.BioSequence) {
+	annotations := sequence.Annotations()
+
+	definition := ParseOBIFeatures(sequence.Definition(),
+		annotations)
+
+	sequence.SetDefinition(definition)
 }
 
 func FormatFastSeqOBIHeader(sequence obiseq.BioSequence) string {

pkg/obiformats/fastseq_write_fasta.go

@@ -120,10 +120,10 @@ func WriteFastaBatch(iterator obiseq.IBioSequenceBatch, file io.Writer, options
 	}
 
 	log.Println("Start of the fasta file writing")
+	go ff(iterator)
 	for i := 0; i < nwriters-1; i++ {
 		go ff(iterator.Split())
 	}
-	go ff(iterator)
 
 	next_to_send := 0
 	received := make(map[int]FileChunck, 100)

pkg/obiformats/fastseq_write_fastq.go

@@ -122,10 +122,10 @@ func WriteFastqBatch(iterator obiseq.IBioSequenceBatch, file io.Writer, options
 	}
 
 	log.Println("Start of the fastq file writing")
+	go ff(iterator)
 	for i := 0; i < nwriters-1; i++ {
 		go ff(iterator.Split())
 	}
-	go ff(iterator)
 
 	next_to_send := 0
 	received := make(map[int]FileChunck, 100)

pkg/obiformats/ngsfilter_read.go

@@ -0,0 +1,133 @@
+package obiformats
+
+import (
+	"bufio"
+	"fmt"
+	"io"
+	"strings"
+
+	"git.metabarcoding.org/lecasofts/go/obitools/pkg/obiseq"
+)
+
+type PrimerPair struct {
+	Forward string
+	Reverse string
+}
+
+type TagPair struct {
+	Forward string
+	Reverse string
+}
+
+type PCR struct {
+	Experiment  string
+	Sample      string
+	Partial     bool
+	Annotations obiseq.Annotation
+}
+
+type PCRs map[TagPair]PCR
+type NGSFilter map[PrimerPair]PCRs
+
+func _readLines(reader io.Reader) []string {
+	r := bufio.NewReader(reader)
+	bytes := []byte{}
+	lines := []string{}
+	for {
+		line, isPrefix, err := r.ReadLine()
+		if err != nil {
+			break
+		}
+		bytes = append(bytes, line...)
+		if !isPrefix {
+			str := strings.TrimSpace(string(bytes))
+			if len(str) > 0 {
+				lines = append(lines, str)
+				bytes = []byte{}
+			}
+		}
+	}
+	if len(bytes) > 0 {
+		lines = append(lines, string(bytes))
+	}
+	return lines
+}
+
+func _parseMainNGSFilterTags(text string) TagPair {
+
+	tags := strings.Split(text, ":")
+
+	if len(tags) == 1 {
+		return TagPair{tags[0], tags[0]}
+	}
+
+	if tags[0] == "-" {
+		tags[0] = ""
+	}
+
+	if tags[1] == "-" {
+		tags[1] = ""
+	}
+
+	return TagPair{tags[0], tags[1]}
+}
+
+func _parseMainNGSFilter(text string) (PrimerPair, TagPair, string, string, bool) {
+	fields := strings.Fields(text)
+
+	tags := _parseMainNGSFilterTags(fields[2])
+	partial := fields[5] == "T" || fields[5] == "t"
+
+	return PrimerPair{fields[3], fields[4]},
+		tags,
+		fields[0],
+		fields[1],
+		partial
+}
+
+func ReadNGSFilter(reader io.Reader) (NGSFilter, error) {
+	ngsfilter := make(NGSFilter, 10)
+
+	lines := _readLines(reader)
+
+	for _, line := range lines {
+		line = strings.TrimSpace(line)
+
+		if strings.HasPrefix(line, "#") || len(line) == 0 {
+			continue
+		}
+
+		split := strings.SplitN(line, "@", 2)
+
+		primers, tags, experiment, sample, partial := _parseMainNGSFilter(split[0])
+		newPCR := PCR{
+			Experiment:  experiment,
+			Sample:      sample,
+			Partial:     partial,
+			Annotations: nil,
+		}
+
+		if len(split) > 1 && len(split[1]) > 0 {
+			newPCR.Annotations = obiseq.GetAnnotation()
+			ParseOBIFeatures(split[1], newPCR.Annotations)
+		}
+
+		samples, ok := ngsfilter[primers]
+
+		if ok {
+			pcr, ok := samples[tags]
+
+			if ok {
+				return nil, fmt.Errorf("pair of tags %v used for samples %s in %s and %s in %s",
+					tags, sample, experiment, pcr.Sample, pcr.Experiment)
+			}
+
+			samples[tags] = newPCR
+		} else {
+			ngsfilter[primers] = make(PCRs, 1000)
+			ngsfilter[primers][tags] = newPCR
+		}
+	}
+
+	return ngsfilter, nil
+}

pkg/obiformats/universal_write.go

@@ -56,19 +56,26 @@ func WriteSequenceBatch(iterator obiseq.IBioSequenceBatch,
 	file io.Writer,
 	options ...WithOption) (obiseq.IBioSequenceBatch, error) {
 
-	var newIter obiseq.IBioSequenceBatch
-	var err error
+	iterator = iterator.Rebatch(1000)
 
 	ok := iterator.Next()
 
 	if ok {
-		iterator.PushBack()
 		batch := iterator.Get()
+		iterator.PushBack()
+
+		var newIter obiseq.IBioSequenceBatch
+		var err error
+
+		if len(batch.Slice()) > 0 {
 			if batch.Slice()[0].HasQualities() {
 				newIter, err = WriteFastqBatch(iterator, file, options...)
 			} else {
 				newIter, err = WriteFastaBatch(iterator, file, options...)
 			}
+		} else {
+			newIter, err = WriteFastaBatch(iterator, file, options...)
+		}
 
 		return newIter, err
 	}

pkg/obitools/obimultiplex/options.go

@@ -0,0 +1 @@
+package obimultiplex

pkg/obitools/obipcr/pcr.go

@@ -10,12 +10,18 @@ import (
 // obiseq.BioSequenceBatch containing the selected amplicon sequences.
 func PCR(iterator obiseq.IBioSequenceBatch) (obiseq.IBioSequenceBatch, error) {
 
-	forward := ForwardPrimer()
-	reverse := ReversePrimer()
 	opts := make([]obiapat.WithOption, 0, 10)
 
-	opts = append(opts, obiapat.OptionForwardError(AllowedMismatch()),
-		obiapat.OptionReverseError(AllowedMismatch()))
+	opts = append(opts,
+		obiapat.OptionForwardPrimer(
+			ForwardPrimer(), 
+			AllowedMismatch(),
+		),
+		obiapat.OptionReversePrimer(
+			ReversePrimer(), 
+			AllowedMismatch(),
+		),
+	)
 
 	if MinLength() > 0 {
 		opts = append(opts, obiapat.OptionMinLength(MinLength()))
@@ -29,7 +35,7 @@ func PCR(iterator obiseq.IBioSequenceBatch) (obiseq.IBioSequenceBatch, error) {
 		opts = append(opts, obiapat.OptionCircular(Circular()))
 	}
 
-	worker := obiapat.PCRSliceWorker(forward, reverse, opts...)
+	worker := obiapat.PCRSliceWorker(opts...)
 
 	return iterator.MakeISliceWorker(worker), nil
 }