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Patch an aligment bug on obipairing

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This commit is contained in:
Eric Coissac
2023-01-25 13:22:56 +01:00
parent 9b7edf0908
commit cfddc78161
4 changed files with 112 additions and 27 deletions
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16
pkg/obialign/dnamatrix.go
View File

@ -55,21 +55,21 @@ func _MatchScoreRatio(a, b byte) (float64, float64) {
l2 := math.Log(2)
l3 := math.Log(3)
l4 := math.Log(4)
l10 := math.Log(10)
lE1 := -float64(a)/10*l10 - l4
lE2 := -float64(b)/10*l10 - l4
lO1 := math.Log1p(-math.Exp(lE1 + l3))
lO2 := math.Log1p(-math.Exp(lE2 + l3))
lalea := math.Log(30) // 1 /(change of the random model)
lE1 := -float64(a)/10*l10 - l3 // log proba of sequencing error on A/3
lE2 := -float64(b)/10*l10 - l3 // log proba of sequencing error on B/3
lO1 := math.Log1p(-math.Exp(lE1 + l3)) // log proba no being an error on A
lO2 := math.Log1p(-math.Exp(lE2 + l3)) // log proba no being an error on B
lO1O2 := lO1 + lO2
lE1E2 := lE1 + lE2
lO1E2 := lO1 + lE2
lO2E1 := lO2 + lE1
MM := _Logaddexp(lO1O2, lE1E2+l3) + l4
Mm := _Logaddexp(_Logaddexp(lO1E2, lO2E1), lE1E2+l2) + l4
MM := _Logaddexp(lO1O2, lE1E2+l3) // Proba match when match observed
Mm := _Logaddexp(_Logaddexp(lO1E2, lO2E1), lE1E2+l2) // Proba match when mismatch observed
return MM, Mm
return MM + lalea, Mm + lalea
}
func _InitNucPartMatch() {

37
pkg/obialign/pairedendalign.go
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@ -52,6 +52,7 @@ func _GetMatrix(matrix *[]int, lenA, a, b int) int {
}
func _GetMatrixFrom(matrix *[]int, lenA, a, b int) (int, int, int) {
// Formula rechecked on 01/25/2023
i := (b+1)*(lenA+1) + a
j := i - lenA
m := *matrix
@ -68,10 +69,15 @@ func _PairingScorePeAlign(baseA, qualA, baseB, qualB byte) int {
return _NucScorePartMatchMismatch[qualA][qualB]
default:
return int(partMatch*float64(_NucScorePartMatchMatch[qualA][qualB]) +
(1-partMatch)*float64(_NucScorePartMatchMismatch[qualA][qualB]) + 0.5)
(1-partMatch)*float64(_NucScorePartMatchMismatch[qualA][qualB]) +
0.5)
}
}
// Gaps at the beginning of B and at the end of A are free
// With A spanning over lines and B over columns
// - First column gap = 0
// - Last line gaps = 0
func _FillMatrixPeLeftAlign(seqA, qualA, seqB, qualB []byte, gap float64,
scoreMatrix, pathMatrix *[]int) int {
@ -95,6 +101,7 @@ func _FillMatrixPeLeftAlign(seqA, qualA, seqB, qualB []byte, gap float64,
*scoreMatrix = (*scoreMatrix)[:needed]
*pathMatrix = (*pathMatrix)[:needed]
// Sets the first position of the matrix with 0 score
_SetMatrices(scoreMatrix, pathMatrix, la, -1, -1, 0, 0)
// Fills the first column with score 0
@ -102,17 +109,20 @@ func _FillMatrixPeLeftAlign(seqA, qualA, seqB, qualB []byte, gap float64,
_SetMatrices(scoreMatrix, pathMatrix, la, i, -1, 0, -1)
}
la1 := la - 1
la1 := la - 1 // Except the last line (gaps are free on it)
for j := 0; j < lb; j++ {
// Fill the first line with scores corresponding to a set of gaps
_SetMatrices(scoreMatrix, pathMatrix, la, -1, j, (j+1)*gapPenalty, 1)
for i := 0; i < la1; i++ {
left, diag, top := _GetMatrixFrom(scoreMatrix, la, i, j)
diag += _PairingScorePeAlign(seqA[i], qualA[i], seqB[j], qualB[j])
left += gapPenalty
top += gapPenalty
switch {
case diag > left && diag > top:
_SetMatrices(scoreMatrix, pathMatrix, la, i, j, diag, 0)
@ -143,6 +153,10 @@ func _FillMatrixPeLeftAlign(seqA, qualA, seqB, qualB []byte, gap float64,
return _GetMatrix(scoreMatrix, la, la1, lb-1)
}
// Gaps at the beginning of A and at the end of B are free
// With A spanning over lines and B over columns
// - First line gap = 0
// - Last column gaps = 0
func _FillMatrixPeRightAlign(seqA, qualA, seqB, qualB []byte, gap float64,
scoreMatrix, pathMatrix *[]int) int {
@ -166,17 +180,19 @@ func _FillMatrixPeRightAlign(seqA, qualA, seqB, qualB []byte, gap float64,
*scoreMatrix = (*scoreMatrix)[:needed]
*pathMatrix = (*pathMatrix)[:needed]
// Sets the first position of the matrix with 0 score
_SetMatrices(scoreMatrix, pathMatrix, la, -1, -1, 0, 0)
// Fills the first column with score 0
// Fills the first column with scores corresponding to a set of gaps
for i := 0; i < la; i++ {
_SetMatrices(scoreMatrix, pathMatrix, la, i, -1, (i+1)*gapPenalty, -1)
}
lb1 := lb - 1
lb1 := lb - 1 // Except the last column (gaps are free on it)
for j := 0; j < lb1; j++ {
// Fill the first line with zero score
_SetMatrices(scoreMatrix, pathMatrix, la, -1, j, 0, 1)
for i := 0; i < la; i++ {
@ -187,7 +203,7 @@ func _FillMatrixPeRightAlign(seqA, qualA, seqB, qualB []byte, gap float64,
top += gapPenalty
switch {
case diag > left && left > top:
case diag > left && diag > top:
_SetMatrices(scoreMatrix, pathMatrix, la, i, j, diag, 0)
case left > diag && left > top:
_SetMatrices(scoreMatrix, pathMatrix, la, i, j, left, +1)
@ -218,6 +234,7 @@ func _FillMatrixPeRightAlign(seqA, qualA, seqB, qualB []byte, gap float64,
}
return _GetMatrix(scoreMatrix, la, la-1, lb1)
}
func PELeftAlign(seqA, seqB *obiseq.BioSequence, gap float64,
@ -295,11 +312,9 @@ func PEAlign(seqA, seqB *obiseq.BioSequence,
over = seqB.Len() + shift
}
// At least one mismatch exists in the overlaping region
if fastScore+3 < over {
// At least one mismatch exists in the overlaping region
if shift > 0 {
startA = shift - delta
if startA < 0 {
@ -319,8 +334,6 @@ func PEAlign(seqA, seqB *obiseq.BioSequence,
&arena.pointer.pathMatrix)
} else {
// Both overlaping regions are identicals
startA = 0
startB = -shift - delta
if startB < 0 {
@ -333,6 +346,7 @@ func PEAlign(seqA, seqB *obiseq.BioSequence,
rawSeqA = seqA.Sequence()[:partLen]
qualSeqA = seqA.Qualities()[:partLen]
extra3 = partLen - seqA.Len()
score = _FillMatrixPeRightAlign(
rawSeqA, qualSeqA, rawSeqB, qualSeqB, gap,
&arena.pointer.scoreMatrix,
@ -344,6 +358,9 @@ func PEAlign(seqA, seqB *obiseq.BioSequence,
&arena.pointer.path)
} else {
// Both overlaping regions are identicals
if shift > 0 {
startA = shift
startB = 0

14
pkg/obiseq/biosequenceslice.go
View File

@ -19,13 +19,19 @@ var _BioSequenceSlicePool = sync.Pool{
}
// > This function returns a pointer to a new `BioSequenceSlice` object
func NewBioSequenceSlice() *BioSequenceSlice {
return _BioSequenceSlicePool.Get().(*BioSequenceSlice)
func NewBioSequenceSlice(size ...int) *BioSequenceSlice {
slice := _BioSequenceSlicePool.Get().(*BioSequenceSlice)
if len(size) > 0 {
s := size[0]
slice.InsureCapacity(s)
(*slice)=(*slice)[0:s]
}
return slice
}
// `MakeBioSequenceSlice()` returns a pointer to a new `BioSequenceSlice` struct
func MakeBioSequenceSlice() BioSequenceSlice {
return *NewBioSequenceSlice()
func MakeBioSequenceSlice(size ...int) BioSequenceSlice {
return *NewBioSequenceSlice(size...)
}
func (s *BioSequenceSlice) Recycle() {

72
pkg/obiseq/worker.go
View File

@ -5,6 +5,10 @@ type SeqAnnotator func(*BioSequence)
type SeqWorker func(*BioSequence) *BioSequence
type SeqSliceWorker func(BioSequenceSlice) BioSequenceSlice
func NilSeqWorker(seq *BioSequence) *BioSequence {
return seq
}
func AnnotatorToSeqWorker(function SeqAnnotator) SeqWorker {
f := func(seq *BioSequence) *BioSequence {
function(seq)
@ -14,18 +18,76 @@ func AnnotatorToSeqWorker(function SeqAnnotator) SeqWorker {
}
func SeqToSliceWorker(worker SeqWorker, inplace bool) SeqSliceWorker {
f := func(input BioSequenceSlice) BioSequenceSlice {
output := input
if (! inplace) {
output = MakeBioSequenceSlice()
var f SeqSliceWorker
if worker == nil {
if inplace {
f = func(input BioSequenceSlice) BioSequenceSlice {
return input
}
} else {
f = func(input BioSequenceSlice) BioSequenceSlice {
output := MakeBioSequenceSlice(len(input))
copy(output,input)
return output
}
}
for i,s := range(input) {
} else {
f = func(input BioSequenceSlice) BioSequenceSlice {
output := input
if !inplace {
output = MakeBioSequenceSlice(len(input))
}
for i, s := range input {
output[i] = worker(s)
}
return output
}
}
return f
}
func SeqToSliceConditionalWorker(worker SeqWorker,
condition SequencePredicate,
inplace bool) SeqSliceWorker {
if condition == nil {
return SeqToSliceWorker(worker,inplace)
}
f := func(input BioSequenceSlice) BioSequenceSlice {
output := input
if !inplace {
output = MakeBioSequenceSlice(len(input))
}
for i, s := range input {
if condition(s) {
output[i] = worker(s)
} else {
output[i] = s
}
}
return output
}
return f
}
func (worker SeqWorker) ChainWorkers(next SeqWorker) SeqWorker {
if worker == nil {
return next
} else {
if next == nil {
return worker
}
}
f := func(seq *BioSequence) *BioSequence {
return next(worker(seq))
}
return f
}