Refactor k-mer encoding and frequency filtering with KmerSet

This commit refactors the k-mer encoding logic to handle ambiguous bases more consistently and introduces a KmerSet type for better management of k-mer collections. The frequency filter now works with KmerSet instead of roaring bitmaps directly, and the API has been updated to support level-based frequency queries. Additionally, the commit updates the version and commit hash.
This commit is contained in:
Eric Coissac
2026-02-05 14:41:41 +01:00
parent 60f27c1dc8
commit 00dcd78e84
5 changed files with 191 additions and 271 deletions

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@@ -7,7 +7,8 @@ import (
// __single_base_code__ encodes DNA bases to 2-bit values. // __single_base_code__ encodes DNA bases to 2-bit values.
// Standard bases: A=0, C=1, G=2, T/U=3 // Standard bases: A=0, C=1, G=2, T/U=3
// Ambiguous bases (N, R, Y, W, S, K, M, B, D, H, V): 0xFF (255) to signal error // Ambiguous bases (N, R, Y, W, S, K, M, B, D, H, V) and other characters: encoded as 0 (A)
// Note: For error detection with ambiguous bases, use __single_base_code_err__ in encodekmer.go
var __single_base_code__ = []byte{0, var __single_base_code__ = []byte{0,
// A, B, C, D, // A, B, C, D,

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@@ -15,19 +15,19 @@ var __single_base_code_err__ = []byte{0,
0xFF, 0xFF, 0xFF, 3, 0xFF, 0xFF, 0xFF, 3,
// U, V, W, X, // U, V, W, X,
3, 0xFF, 0xFF, 0xFF, 3, 0xFF, 0xFF, 0xFF,
// Y, Z, ., ., // Y, Z, ., .
0xFF, 0xFF, 0xFF, 0xFF, 0xFF, 0xFF, 0xFF, 0xFF,
0xFF, 0xFF, 0xFF, 0xFF, 0xFF, 0xFF,
} }
const ambiguousBaseCode = byte(0xFF) const ambiguousBaseCode = byte(0xFF)
// Error markers for k-mers of odd length ≤ 31 // Error markers for k-mers of odd length ≤ 31
// For odd k ≤ 31, only k*2 bits are used (max 62 bits), leaving 2 high bits // For odd k ≤ 31, only k*2 bits are used (max 62 bits), leaving 2 high bits
// available for error coding in the top 2 bits (bits 62-63). // available for error coding in the top 2 bits (bits 62-63).
// //
// Error codes are simple integers: // Error codes are simple integers:
//
// 0 = no error // 0 = no error
// 1 = error type 1 // 1 = error type 1
// 2 = error type 2 // 2 = error type 2
@@ -95,31 +95,14 @@ func EncodeKmers(seq []byte, k int, buffer *[]uint64) []uint64 {
return nil return nil
} }
n := len(seq) - k + 1
var result []uint64 var result []uint64
if buffer == nil { if buffer == nil {
result = make([]uint64, 0, n) result = make([]uint64, 0, len(seq)-k+1)
} else { } else {
result = (*buffer)[:0] result = (*buffer)[:0]
} }
// Mask to keep only k*2 bits for kmer := range IterKmers(seq, k) {
mask := uint64(1)<<(k*2) - 1
// Build the first k-mer
var kmer uint64
for i := 0; i < k; i++ {
kmer <<= 2
kmer |= uint64(__single_base_code__[seq[i]&31])
}
result = append(result, kmer)
// Slide through the rest of the sequence
for i := k; i < len(seq); i++ {
kmer <<= 2
kmer |= uint64(__single_base_code__[seq[i]&31])
kmer &= mask
result = append(result, kmer) result = append(result, kmer)
} }
@@ -138,6 +121,7 @@ func EncodeKmers(seq []byte, k int, buffer *[]uint64) []uint64 {
// - iterator yielding uint64 encoded k-mers // - iterator yielding uint64 encoded k-mers
// //
// Example: // Example:
//
// for kmer := range IterKmers(seq, 21) { // for kmer := range IterKmers(seq, 21) {
// bitmap.Add(kmer) // bitmap.Add(kmer)
// } // }
@@ -147,10 +131,8 @@ func IterKmers(seq []byte, k int) iter.Seq[uint64] {
return return
} }
// Mask to keep only k*2 bits
mask := uint64(1)<<(k*2) - 1 mask := uint64(1)<<(k*2) - 1
// Build the first k-mer
var kmer uint64 var kmer uint64
for i := 0; i < k; i++ { for i := 0; i < k; i++ {
kmer <<= 2 kmer <<= 2
@@ -161,7 +143,6 @@ func IterKmers(seq []byte, k int) iter.Seq[uint64] {
return return
} }
// Slide through the rest of the sequence
for i := k; i < len(seq); i++ { for i := k; i < len(seq); i++ {
kmer <<= 2 kmer <<= 2
kmer |= uint64(__single_base_code__[seq[i]&31]) kmer |= uint64(__single_base_code__[seq[i]&31])
@@ -191,6 +172,7 @@ func IterKmers(seq []byte, k int) iter.Seq[uint64] {
// - iterator yielding uint64 normalized k-mers with error markers // - iterator yielding uint64 normalized k-mers with error markers
// //
// Example: // Example:
//
// for kmer := range IterNormalizedKmersWithErrors(seq, 21) { // for kmer := range IterNormalizedKmersWithErrors(seq, 21) {
// if GetKmerError(kmer) == 0 { // if GetKmerError(kmer) == 0 {
// bitmap.Add(kmer) // Only add clean k-mers // bitmap.Add(kmer) // Only add clean k-mers
@@ -198,44 +180,35 @@ func IterKmers(seq []byte, k int) iter.Seq[uint64] {
// } // }
func IterNormalizedKmersWithErrors(seq []byte, k int) iter.Seq[uint64] { func IterNormalizedKmersWithErrors(seq []byte, k int) iter.Seq[uint64] {
return func(yield func(uint64) bool) { return func(yield func(uint64) bool) {
// Only valid for odd k ≤ 31
if k < 1 || k > 31 || k%2 == 0 || len(seq) < k { if k < 1 || k > 31 || k%2 == 0 || len(seq) < k {
return return
} }
// Mask to keep only k*2 bits
mask := uint64(1)<<(k*2) - 1 mask := uint64(1)<<(k*2) - 1
// Shift amount for adding to reverse complement (high position)
rcShift := uint((k - 1) * 2) rcShift := uint((k - 1) * 2)
// Track ambiguous base count in sliding window
ambiguousCount := 0 ambiguousCount := 0
const ambiguousCode = byte(0xFF) const ambiguousCode = byte(0xFF)
// Build the first k-mer (forward and reverse complement)
var fwd, rvc uint64 var fwd, rvc uint64
hasError := false hasError := false
for i := 0; i < k; i++ { for i := 0; i < k; i++ {
code := __single_base_code_err__[seq[i]&31] code := __single_base_code_err__[seq[i]&31]
// Check for ambiguous base
if code == ambiguousCode { if code == ambiguousCode {
ambiguousCount++ ambiguousCount++
hasError = true hasError = true
code = 0 // Encode as A for the sequence bits code = 0
} }
codeUint := uint64(code) codeUint := uint64(code)
// Forward: shift left and add new code at low end
fwd <<= 2 fwd <<= 2
fwd |= codeUint fwd |= codeUint
// Reverse complement: shift right and add complement at high end
rvc >>= 2 rvc >>= 2
rvc |= (codeUint ^ 3) << rcShift rvc |= (codeUint ^ 3) << rcShift
} }
// Yield normalized k-mer with error marker
var canonical uint64 var canonical uint64
if fwd <= rvc { if fwd <= rvc {
canonical = fwd canonical = fwd
@@ -243,7 +216,6 @@ func IterNormalizedKmersWithErrors(seq []byte, k int) iter.Seq[uint64] {
canonical = rvc canonical = rvc
} }
// Set error code based on ambiguous count
if hasError { if hasError {
errorCode := uint64(ambiguousCount) errorCode := uint64(ambiguousCount)
if errorCode > 3 { if errorCode > 3 {
@@ -256,40 +228,33 @@ func IterNormalizedKmersWithErrors(seq []byte, k int) iter.Seq[uint64] {
return return
} }
// Slide through the rest of the sequence
for i := k; i < len(seq); i++ { for i := k; i < len(seq); i++ {
// Check outgoing base (position i-k) outgoingCode := __single_base_code_err__[seq[i-k]&31]
outgoingCode := __single_base_code__[seq[i-k]&31]
if outgoingCode == ambiguousCode { if outgoingCode == ambiguousCode {
ambiguousCount-- ambiguousCount--
} }
// Check incoming base (position i) code := __single_base_code_err__[seq[i]&31]
code := __single_base_code__[seq[i]&31]
if code == ambiguousCode { if code == ambiguousCode {
ambiguousCount++ ambiguousCount++
code = 0 // Encode as A for the sequence bits code = 0
} }
codeUint := uint64(code) codeUint := uint64(code)
// Update forward k-mer: shift left, add new code, mask
fwd <<= 2 fwd <<= 2
fwd |= codeUint fwd |= codeUint
fwd &= mask fwd &= mask
// Update reverse complement: shift right, add complement at high end
rvc >>= 2 rvc >>= 2
rvc |= (codeUint ^ 3) << rcShift rvc |= (codeUint ^ 3) << rcShift
// Yield normalized k-mer
if fwd <= rvc { if fwd <= rvc {
canonical = fwd canonical = fwd
} else { } else {
canonical = rvc canonical = rvc
} }
// Set error code based on ambiguous count
if ambiguousCount > 0 { if ambiguousCount > 0 {
errorCode := uint64(ambiguousCount) errorCode := uint64(ambiguousCount)
if errorCode > 3 { if errorCode > 3 {
@@ -316,6 +281,7 @@ func IterNormalizedKmersWithErrors(seq []byte, k int) iter.Seq[uint64] {
// - iterator yielding uint64 normalized k-mers // - iterator yielding uint64 normalized k-mers
// //
// Example: // Example:
//
// for canonical := range IterNormalizedKmers(seq, 21) { // for canonical := range IterNormalizedKmers(seq, 21) {
// bitmap.Add(canonical) // bitmap.Add(canonical)
// } // }
@@ -325,25 +291,19 @@ func IterNormalizedKmers(seq []byte, k int) iter.Seq[uint64] {
return return
} }
// Mask to keep only k*2 bits
mask := uint64(1)<<(k*2) - 1 mask := uint64(1)<<(k*2) - 1
// Shift amount for adding to reverse complement (high position)
rcShift := uint((k - 1) * 2) rcShift := uint((k - 1) * 2)
// Build the first k-mer (forward and reverse complement)
var fwd, rvc uint64 var fwd, rvc uint64
for i := 0; i < k; i++ { for i := 0; i < k; i++ {
code := uint64(__single_base_code__[seq[i]&31]) code := uint64(__single_base_code__[seq[i]&31])
// Forward: shift left and add new code at low end
fwd <<= 2 fwd <<= 2
fwd |= code fwd |= code
// Reverse complement: shift right and add complement at high end
rvc >>= 2 rvc >>= 2
rvc |= (code ^ 3) << rcShift rvc |= (code ^ 3) << rcShift
} }
// Yield normalized k-mer
var canonical uint64 var canonical uint64
if fwd <= rvc { if fwd <= rvc {
canonical = fwd canonical = fwd
@@ -355,20 +315,16 @@ func IterNormalizedKmers(seq []byte, k int) iter.Seq[uint64] {
return return
} }
// Slide through the rest of the sequence
for i := k; i < len(seq); i++ { for i := k; i < len(seq); i++ {
code := uint64(__single_base_code__[seq[i]&31]) code := uint64(__single_base_code__[seq[i]&31])
// Update forward k-mer: shift left, add new code, mask
fwd <<= 2 fwd <<= 2
fwd |= code fwd |= code
fwd &= mask fwd &= mask
// Update reverse complement: shift right, add complement at high end
rvc >>= 2 rvc >>= 2
rvc |= (code ^ 3) << rcShift rvc |= (code ^ 3) << rcShift
// Yield normalized k-mer
if fwd <= rvc { if fwd <= rvc {
canonical = fwd canonical = fwd
} else { } else {
@@ -424,15 +380,12 @@ type dequeItem struct {
// Time complexity: O(n) where n is the sequence length // Time complexity: O(n) where n is the sequence length
// Space complexity: O(k-m+1) for the deque + O(number of super k-mers) for results // Space complexity: O(k-m+1) for the deque + O(number of super k-mers) for results
func ExtractSuperKmers(seq []byte, k int, m int, buffer *[]SuperKmer) []SuperKmer { func ExtractSuperKmers(seq []byte, k int, m int, buffer *[]SuperKmer) []SuperKmer {
// Validate parameters
if m < 1 || m >= k || k < 2 || k > 31 || len(seq) < k { if m < 1 || m >= k || k < 2 || k > 31 || len(seq) < k {
return nil return nil
} }
// Initialize result buffer
var result []SuperKmer var result []SuperKmer
if buffer == nil { if buffer == nil {
// Estimate: worst case is one super k-mer per k nucleotides
estimatedSize := len(seq) / k estimatedSize := len(seq) / k
if estimatedSize < 1 { if estimatedSize < 1 {
estimatedSize = 1 estimatedSize = 1
@@ -442,14 +395,11 @@ func ExtractSuperKmers(seq []byte, k int, m int, buffer *[]SuperKmer) []SuperKme
result = (*buffer)[:0] result = (*buffer)[:0]
} }
// Initialize monotone deque for tracking minimizers
deque := make([]dequeItem, 0, k-m+1) deque := make([]dequeItem, 0, k-m+1)
// Masks for m-mer encoding
mMask := uint64(1)<<(m*2) - 1 mMask := uint64(1)<<(m*2) - 1
rcShift := uint((m - 1) * 2) rcShift := uint((m - 1) * 2)
// Build first m-1 nucleotides (can't form complete m-mer yet)
var fwdMmer, rvcMmer uint64 var fwdMmer, rvcMmer uint64
for i := 0; i < m-1 && i < len(seq); i++ { for i := 0; i < m-1 && i < len(seq); i++ {
code := uint64(__single_base_code__[seq[i]&31]) code := uint64(__single_base_code__[seq[i]&31])
@@ -457,19 +407,15 @@ func ExtractSuperKmers(seq []byte, k int, m int, buffer *[]SuperKmer) []SuperKme
rvcMmer = (rvcMmer >> 2) | ((code ^ 3) << rcShift) rvcMmer = (rvcMmer >> 2) | ((code ^ 3) << rcShift)
} }
// Track super k-mer boundaries
superKmerStart := 0 superKmerStart := 0
var currentMinimizer uint64 var currentMinimizer uint64
firstKmer := true firstKmer := true
// Slide through sequence, processing each position that completes an m-mer
for pos := m - 1; pos < len(seq); pos++ { for pos := m - 1; pos < len(seq); pos++ {
// Add new nucleotide to m-mer
code := uint64(__single_base_code__[seq[pos]&31]) code := uint64(__single_base_code__[seq[pos]&31])
fwdMmer = ((fwdMmer << 2) | code) & mMask fwdMmer = ((fwdMmer << 2) | code) & mMask
rvcMmer = (rvcMmer >> 2) | ((code ^ 3) << rcShift) rvcMmer = (rvcMmer >> 2) | ((code ^ 3) << rcShift)
// Get canonical m-mer (minimum of forward and reverse complement)
canonical := fwdMmer canonical := fwdMmer
if rvcMmer < fwdMmer { if rvcMmer < fwdMmer {
canonical = rvcMmer canonical = rvcMmer
@@ -477,9 +423,6 @@ func ExtractSuperKmers(seq []byte, k int, m int, buffer *[]SuperKmer) []SuperKme
mmerPos := pos - m + 1 mmerPos := pos - m + 1
// Remove m-mers outside the current k-mer window from front of deque
// The k-mer at position pos spans from (pos-k+1) to pos
// It contains m-mers from position (pos-k+1) to (pos-m+1)
if pos >= k-1 { if pos >= k-1 {
windowStart := pos - k + 1 windowStart := pos - k + 1
for len(deque) > 0 && deque[0].position < windowStart { for len(deque) > 0 && deque[0].position < windowStart {
@@ -487,30 +430,20 @@ func ExtractSuperKmers(seq []byte, k int, m int, buffer *[]SuperKmer) []SuperKme
} }
} }
// Maintain monotone property: remove larger values from back
for len(deque) > 0 && deque[len(deque)-1].canonical >= canonical { for len(deque) > 0 && deque[len(deque)-1].canonical >= canonical {
deque = deque[:len(deque)-1] deque = deque[:len(deque)-1]
} }
// Add new m-mer to deque
deque = append(deque, dequeItem{position: mmerPos, canonical: canonical}) deque = append(deque, dequeItem{position: mmerPos, canonical: canonical})
// Once we have processed the first k nucleotides, we have our first k-mer
if pos >= k-1 { if pos >= k-1 {
// The minimizer is at the front of the deque
newMinimizer := deque[0].canonical newMinimizer := deque[0].canonical
kmerStart := pos - k + 1 // Start position of current k-mer (ending at pos) kmerStart := pos - k + 1
if firstKmer { if firstKmer {
// Initialize first super k-mer
currentMinimizer = newMinimizer currentMinimizer = newMinimizer
firstKmer = false firstKmer = false
} else if newMinimizer != currentMinimizer { } else if newMinimizer != currentMinimizer {
// Minimizer changed at this k-mer position
// Previous k-mer started at position kmerStart-1
// That k-mer is seq[kmerStart-1 : kmerStart-1+k] (Go slice notation)
// The last base of that k-mer is at kmerStart-1+k-1 = kmerStart+k-2
// In Go slice notation (exclusive end): kmerStart+k-1
endPos := kmerStart + k - 1 endPos := kmerStart + k - 1
superKmer := SuperKmer{ superKmer := SuperKmer{
Minimizer: currentMinimizer, Minimizer: currentMinimizer,
@@ -520,14 +453,12 @@ func ExtractSuperKmers(seq []byte, k int, m int, buffer *[]SuperKmer) []SuperKme
} }
result = append(result, superKmer) result = append(result, superKmer)
// New super k-mer starts at current k-mer position
superKmerStart = kmerStart superKmerStart = kmerStart
currentMinimizer = newMinimizer currentMinimizer = newMinimizer
} }
} }
} }
// Emit final super k-mer
if !firstKmer { if !firstKmer {
superKmer := SuperKmer{ superKmer := SuperKmer{
Minimizer: currentMinimizer, Minimizer: currentMinimizer,
@@ -556,26 +487,19 @@ func ExtractSuperKmers(seq []byte, k int, m int, buffer *[]SuperKmer) []SuperKme
// Returns: // Returns:
// - the reverse complement of the k-mer with error bits preserved // - the reverse complement of the k-mer with error bits preserved
func ReverseComplement(kmer uint64, k int) uint64 { func ReverseComplement(kmer uint64, k int) uint64 {
// Step 0: Extract and preserve error bits
errorBits := kmer & KmerErrorMask errorBits := kmer & KmerErrorMask
// Step 1: Complement - XOR with all 1s to flip A↔T and C↔G
// For a k-mer of size k, we only want to flip the lower k*2 bits
mask := uint64(1)<<(k*2) - 1 mask := uint64(1)<<(k*2) - 1
rc := (^kmer) & mask rc := (^kmer) & mask
// Step 2: Reverse the order of 2-bit pairs rc = ((rc & 0x3333333333333333) << 2) | ((rc & 0xCCCCCCCCCCCCCCCC) >> 2)
// We use a series of swaps at increasing granularity rc = ((rc & 0x0F0F0F0F0F0F0F0F) << 4) | ((rc & 0xF0F0F0F0F0F0F0F0) >> 4)
rc = ((rc & 0x3333333333333333) << 2) | ((rc & 0xCCCCCCCCCCCCCCCC) >> 2) // Swap adjacent pairs rc = ((rc & 0x00FF00FF00FF00FF) << 8) | ((rc & 0xFF00FF00FF00FF00) >> 8)
rc = ((rc & 0x0F0F0F0F0F0F0F0F) << 4) | ((rc & 0xF0F0F0F0F0F0F0F0) >> 4) // Swap nibbles rc = ((rc & 0x0000FFFF0000FFFF) << 16) | ((rc & 0xFFFF0000FFFF0000) >> 16)
rc = ((rc & 0x00FF00FF00FF00FF) << 8) | ((rc & 0xFF00FF00FF00FF00) >> 8) // Swap bytes rc = (rc << 32) | (rc >> 32)
rc = ((rc & 0x0000FFFF0000FFFF) << 16) | ((rc & 0xFFFF0000FFFF0000) >> 16) // Swap 16-bit words
rc = (rc << 32) | (rc >> 32) // Swap 32-bit words
// Step 3: Shift right to align the k-mer (we reversed all 32 pairs, need only k)
rc >>= (64 - k*2) rc >>= (64 - k*2)
// Step 4: Restore error bits
rc |= errorBits rc |= errorBits
return rc return rc
@@ -621,112 +545,19 @@ func NormalizeKmer(kmer uint64, k int) uint64 {
// - slice of uint64 normalized k-mers with error markers // - slice of uint64 normalized k-mers with error markers
// - nil if sequence is shorter than k, k is invalid, or k is even // - nil if sequence is shorter than k, k is invalid, or k is even
func EncodeNormalizedKmersWithErrors(seq []byte, k int, buffer *[]uint64) []uint64 { func EncodeNormalizedKmersWithErrors(seq []byte, k int, buffer *[]uint64) []uint64 {
// Only valid for odd k ≤ 31
if k < 1 || k > 31 || k%2 == 0 || len(seq) < k { if k < 1 || k > 31 || k%2 == 0 || len(seq) < k {
return nil return nil
} }
n := len(seq) - k + 1
var result []uint64 var result []uint64
if buffer == nil { if buffer == nil {
result = make([]uint64, 0, n) result = make([]uint64, 0, len(seq)-k+1)
} else { } else {
result = (*buffer)[:0] result = (*buffer)[:0]
} }
// Mask to keep only k*2 bits for kmer := range IterNormalizedKmersWithErrors(seq, k) {
mask := uint64(1)<<(k*2) - 1 result = append(result, kmer)
// Shift amount for adding to reverse complement (high position)
rcShift := uint((k - 1) * 2)
// Track ambiguous base count in sliding window
ambiguousCount := 0
const ambiguousCode = byte(0xFF)
// Build the first k-mer (forward and reverse complement)
var fwd, rvc uint64
hasError := false
for i := 0; i < k; i++ {
code := __single_base_code_err__[seq[i]&31]
// Check for ambiguous base
if code == ambiguousCode {
ambiguousCount++
hasError = true
code = 0 // Encode as A for the sequence bits
}
codeUint := uint64(code)
// Forward: shift left and add new code at low end
fwd <<= 2
fwd |= codeUint
// Reverse complement: shift right and add complement at high end
rvc >>= 2
rvc |= (codeUint ^ 3) << rcShift
}
// Store the normalized (canonical) k-mer with error marker
var canonical uint64
if fwd <= rvc {
canonical = fwd
} else {
canonical = rvc
}
// Set error code based on ambiguous count
if hasError {
errorCode := uint64(ambiguousCount)
if errorCode > 3 {
errorCode = 3
}
canonical = SetKmerError(canonical, errorCode)
}
result = append(result, canonical)
// Slide through the rest of the sequence
for i := k; i < len(seq); i++ {
// Check outgoing base (position i-k)
outgoingCode := __single_base_code__[seq[i-k]&31]
if outgoingCode == ambiguousCode {
ambiguousCount--
}
// Check incoming base (position i)
code := __single_base_code__[seq[i]&31]
if code == ambiguousCode {
ambiguousCount++
code = 0 // Encode as A for the sequence bits
}
codeUint := uint64(code)
// Update forward k-mer: shift left, add new code, mask
fwd <<= 2
fwd |= codeUint
fwd &= mask
// Update reverse complement: shift right, add complement at high end
rvc >>= 2
rvc |= (codeUint ^ 3) << rcShift
// Store the normalized k-mer
if fwd <= rvc {
canonical = fwd
} else {
canonical = rvc
}
// Set error code based on ambiguous count
if ambiguousCount > 0 {
errorCode := uint64(ambiguousCount)
if errorCode > 3 {
errorCode = 3
}
canonical = SetKmerError(canonical, errorCode)
}
result = append(result, canonical)
} }
return result return result
@@ -753,62 +584,15 @@ func EncodeNormalizedKmers(seq []byte, k int, buffer *[]uint64) []uint64 {
return nil return nil
} }
n := len(seq) - k + 1
var result []uint64 var result []uint64
if buffer == nil { if buffer == nil {
result = make([]uint64, 0, n) result = make([]uint64, 0, len(seq)-k+1)
} else { } else {
result = (*buffer)[:0] result = (*buffer)[:0]
} }
// Mask to keep only k*2 bits for kmer := range IterNormalizedKmers(seq, k) {
mask := uint64(1)<<(k*2) - 1 result = append(result, kmer)
// Shift amount for adding to reverse complement (high position)
rcShift := uint((k - 1) * 2)
// Complement lookup: A(00)->T(11), C(01)->G(10), G(10)->C(01), T(11)->A(00)
// This is simply XOR with 3
// Build the first k-mer (forward and reverse complement)
var fwd, rvc uint64
for i := 0; i < k; i++ {
code := uint64(__single_base_code__[seq[i]&31])
// Forward: shift left and add new code at low end
fwd <<= 2
fwd |= code
// Reverse complement: shift right and add complement at high end
rvc >>= 2
rvc |= (code ^ 3) << rcShift
}
// Store the normalized (canonical) k-mer
if fwd <= rvc {
result = append(result, fwd)
} else {
result = append(result, rvc)
}
// Slide through the rest of the sequence
for i := k; i < len(seq); i++ {
code := uint64(__single_base_code__[seq[i]&31])
// Update forward k-mer: shift left, add new code, mask
fwd <<= 2
fwd |= code
fwd &= mask
// Update reverse complement: shift right, add complement at high end
rvc >>= 2
rvc |= (code ^ 3) << rcShift
// Store the normalized k-mer
if fwd <= rvc {
result = append(result, fwd)
} else {
result = append(result, rvc)
}
} }
return result return result

View File

@@ -3,6 +3,7 @@ package obikmer
import ( import (
"fmt" "fmt"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
"github.com/RoaringBitmap/roaring/roaring64" "github.com/RoaringBitmap/roaring/roaring64"
) )
@@ -36,8 +37,9 @@ func NewFrequencyFilter(k, minFreq int) *FrequencyFilter {
// AddSequence ajoute tous les k-mers d'une séquence au filtre // AddSequence ajoute tous les k-mers d'une séquence au filtre
// Utilise un itérateur pour éviter l'allocation d'un vecteur intermédiaire // Utilise un itérateur pour éviter l'allocation d'un vecteur intermédiaire
func (ff *FrequencyFilter) AddSequence(seq []byte) { func (ff *FrequencyFilter) AddSequence(seq *obiseq.BioSequence) {
for canonical := range IterNormalizedKmers(seq, ff.K) { rawSeq := seq.Sequence()
for canonical := range IterNormalizedKmers(rawSeq, ff.K) {
ff.addKmer(canonical) ff.addKmer(canonical)
} }
} }
@@ -56,20 +58,20 @@ func (ff *FrequencyFilter) addKmer(kmer uint64) {
} }
} }
// GetFilteredSet retourne la Roaring Bitmap des k-mers avec fréquence ≥ minFreq // GetFilteredSet retourne un KmerSet des k-mers avec fréquence ≥ minFreq
func (ff *FrequencyFilter) GetFilteredSet() *roaring64.Bitmap { func (ff *FrequencyFilter) GetFilteredSet() *KmerSet {
// Les k-mers filtrés sont dans le dernier niveau // Les k-mers filtrés sont dans le dernier niveau
return ff.index[ff.MinFreq-1].Clone() return NewKmerSetFromBitmap(ff.K, ff.index[ff.MinFreq-1].Clone())
} }
// GetKmersAtLevel retourne la Roaring Bitmap des k-mers vus au moins (level+1) fois // GetKmersAtLevel retourne un KmerSet des k-mers vus au moins (level+1) fois
// level doit être dans [0, minFreq-1] // level doit être dans [0, minFreq-1]
func (ff *FrequencyFilter) GetKmersAtLevel(level int) *roaring64.Bitmap { func (ff *FrequencyFilter) GetKmersAtLevel(level int) *KmerSet {
if level < 0 || level >= ff.MinFreq { if level < 0 || level >= ff.MinFreq {
return roaring64.New() return NewKmerSet(ff.K)
} }
return ff.index[level].Clone() return NewKmerSetFromBitmap(ff.K, ff.index[level].Clone())
} }
// Stats retourne des statistiques sur les niveaux de fréquence // Stats retourne des statistiques sur les niveaux de fréquence
@@ -143,8 +145,8 @@ func (ff *FrequencyFilter) Clear() {
// ================================== // ==================================
// AddSequences ajoute plusieurs séquences en batch // AddSequences ajoute plusieurs séquences en batch
func (ff *FrequencyFilter) AddSequences(sequences [][]byte) { func (ff *FrequencyFilter) AddSequences(sequences *obiseq.BioSequenceSlice) {
for _, seq := range sequences { for _, seq := range *sequences {
ff.AddSequence(seq) ff.AddSequence(seq)
} }
} }
@@ -193,9 +195,22 @@ func (ff *FrequencyFilter) GetFrequency(kmer uint64) int {
return freq return freq
} }
// Cardinality retourne le nombre de k-mers filtrés // Len retourne le nombre de k-mers filtrés ou à un niveau spécifique
func (ff *FrequencyFilter) Cardinality() uint64 { // Sans argument: retourne le nombre de k-mers avec freq ≥ minFreq (dernier niveau)
// Avec argument level: retourne le nombre de k-mers avec freq ≥ (level+1)
// Exemple: Len() pour les k-mers filtrés, Len(2) pour freq ≥ 3
func (ff *FrequencyFilter) Len(level ...int) uint64 {
if len(level) == 0 {
// Sans argument: dernier niveau (k-mers filtrés)
return ff.index[ff.MinFreq-1].GetCardinality() return ff.index[ff.MinFreq-1].GetCardinality()
}
// Avec argument: niveau spécifique
lvl := level[0]
if lvl < 0 || lvl >= ff.MinFreq {
return 0
}
return ff.index[lvl].GetCardinality()
} }
// MemoryUsage retourne l'utilisation mémoire en bytes // MemoryUsage retourne l'utilisation mémoire en bytes

120
pkg/obikmer/kmer_set.go Normal file
View File

@@ -0,0 +1,120 @@
package obikmer
import (
"fmt"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
"github.com/RoaringBitmap/roaring/roaring64"
)
// KmerSet encapsule un ensemble de k-mers stockés dans un Roaring Bitmap
// Fournit des méthodes utilitaires pour manipuler des ensembles de k-mers
type KmerSet struct {
K int // Taille des k-mers
bitmap *roaring64.Bitmap // Bitmap contenant les k-mers
}
// NewKmerSet crée un nouveau KmerSet vide
func NewKmerSet(k int) *KmerSet {
return &KmerSet{
K: k,
bitmap: roaring64.New(),
}
}
// NewKmerSetFromBitmap crée un KmerSet à partir d'un bitmap existant
func NewKmerSetFromBitmap(k int, bitmap *roaring64.Bitmap) *KmerSet {
return &KmerSet{
K: k,
bitmap: bitmap,
}
}
// Add ajoute un k-mer à l'ensemble
func (ks *KmerSet) Add(kmer uint64) {
ks.bitmap.Add(kmer)
}
// AddSequence ajoute tous les k-mers d'une séquence à l'ensemble
// Utilise un itérateur pour éviter l'allocation d'un vecteur intermédiaire
func (ks *KmerSet) AddSequence(seq *obiseq.BioSequence) {
rawSeq := seq.Sequence()
for canonical := range IterNormalizedKmers(rawSeq, ks.K) {
ks.bitmap.Add(canonical)
}
}
// AddSequences ajoute tous les k-mers de plusieurs séquences en batch
func (ks *KmerSet) AddSequences(sequences *obiseq.BioSequenceSlice) {
for _, seq := range *sequences {
ks.AddSequence(seq)
}
}
// Contains vérifie si un k-mer est dans l'ensemble
func (ks *KmerSet) Contains(kmer uint64) bool {
return ks.bitmap.Contains(kmer)
}
// Len retourne le nombre de k-mers dans l'ensemble
func (ks *KmerSet) Len() uint64 {
return ks.bitmap.GetCardinality()
}
// MemoryUsage retourne l'utilisation mémoire en bytes
func (ks *KmerSet) MemoryUsage() uint64 {
return ks.bitmap.GetSizeInBytes()
}
// Clear vide l'ensemble
func (ks *KmerSet) Clear() {
ks.bitmap.Clear()
}
// Clone crée une copie de l'ensemble
func (ks *KmerSet) Clone() *KmerSet {
return &KmerSet{
K: ks.K,
bitmap: ks.bitmap.Clone(),
}
}
// Union retourne l'union de cet ensemble avec un autre
func (ks *KmerSet) Union(other *KmerSet) *KmerSet {
if ks.K != other.K {
panic(fmt.Sprintf("Cannot union KmerSets with different k values: %d vs %d", ks.K, other.K))
}
result := ks.bitmap.Clone()
result.Or(other.bitmap)
return NewKmerSetFromBitmap(ks.K, result)
}
// Intersect retourne l'intersection de cet ensemble avec un autre
func (ks *KmerSet) Intersect(other *KmerSet) *KmerSet {
if ks.K != other.K {
panic(fmt.Sprintf("Cannot intersect KmerSets with different k values: %d vs %d", ks.K, other.K))
}
result := ks.bitmap.Clone()
result.And(other.bitmap)
return NewKmerSetFromBitmap(ks.K, result)
}
// Difference retourne la différence de cet ensemble avec un autre (this - other)
func (ks *KmerSet) Difference(other *KmerSet) *KmerSet {
if ks.K != other.K {
panic(fmt.Sprintf("Cannot subtract KmerSets with different k values: %d vs %d", ks.K, other.K))
}
result := ks.bitmap.Clone()
result.AndNot(other.bitmap)
return NewKmerSetFromBitmap(ks.K, result)
}
// Iterator retourne un itérateur sur tous les k-mers de l'ensemble
func (ks *KmerSet) Iterator() roaring64.IntIterable64 {
return ks.bitmap.Iterator()
}
// Bitmap retourne le bitmap sous-jacent (pour compatibilité)
func (ks *KmerSet) Bitmap() *roaring64.Bitmap {
return ks.bitmap
}

View File

@@ -8,7 +8,7 @@ import (
// corresponds to the last commit, and not the one when the file will be // corresponds to the last commit, and not the one when the file will be
// commited // commited
var _Commit = "28162ac" var _Commit = "60f27c1"
var _Version = "Release 4.4.0" var _Version = "Release 4.4.0"
// Version returns the version of the obitools package. // Version returns the version of the obitools package.