package obikmer // EncodeKmers converts a DNA sequence to a slice of encoded k-mers. // Each nucleotide is encoded on 2 bits according to __single_base_code__: // - A = 0 (00) // - C = 1 (01) // - G = 2 (10) // - T/U = 3 (11) // // The function returns overlapping k-mers of size k encoded as uint64. // For a sequence of length n, it returns n-k+1 k-mers. // // Parameters: // - seq: DNA sequence as a byte slice (case insensitive, supports A, C, G, T, U) // - k: k-mer size (must be between 1 and 32) // - buffer: optional pre-allocated buffer for results. If nil, a new slice is created. // // Returns: // - slice of uint64 encoded k-mers // - nil if sequence is shorter than k or k is invalid func EncodeKmers(seq []byte, k int, buffer *[]uint64) []uint64 { if k < 1 || k > 32 || len(seq) < k { return nil } n := len(seq) - k + 1 var result []uint64 if buffer == nil { result = make([]uint64, 0, n) } else { result = (*buffer)[:0] } // Mask to keep only k*2 bits 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) } return result } // ReverseComplement computes the reverse complement of an encoded k-mer. // The k-mer is encoded with 2 bits per nucleotide (A=00, C=01, G=10, T=11). // The complement is: A↔T (00↔11), C↔G (01↔10), which is simply XOR with 11. // The reverse swaps the order of 2-bit pairs. // // Parameters: // - kmer: the encoded k-mer // - k: the k-mer size (number of nucleotides) // // Returns: // - the reverse complement of the k-mer func ReverseComplement(kmer uint64, k int) uint64 { // 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 rc := (^kmer) & mask // Step 2: Reverse the order of 2-bit pairs // We use a series of swaps at increasing granularity rc = ((rc & 0x3333333333333333) << 2) | ((rc & 0xCCCCCCCCCCCCCCCC) >> 2) // Swap adjacent pairs rc = ((rc & 0x0F0F0F0F0F0F0F0F) << 4) | ((rc & 0xF0F0F0F0F0F0F0F0) >> 4) // Swap nibbles rc = ((rc & 0x00FF00FF00FF00FF) << 8) | ((rc & 0xFF00FF00FF00FF00) >> 8) // Swap bytes 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) return rc } // NormalizeKmer returns the lexicographically smaller of a k-mer and its // reverse complement. This canonical form ensures that a k-mer and its // reverse complement map to the same value. // // Parameters: // - kmer: the encoded k-mer // - k: the k-mer size (number of nucleotides) // // Returns: // - the canonical (normalized) k-mer func NormalizeKmer(kmer uint64, k int) uint64 { rc := ReverseComplement(kmer, k) if rc < kmer { return rc } return kmer } // EncodeNormalizedKmers converts a DNA sequence to a slice of normalized k-mers. // Each k-mer is replaced by the lexicographically smaller of itself and its // reverse complement. This ensures that forward and reverse complement sequences // produce the same k-mer set. // // Parameters: // - seq: DNA sequence as a byte slice (case insensitive, supports A, C, G, T, U) // - k: k-mer size (must be between 1 and 32) // - buffer: optional pre-allocated buffer for results. If nil, a new slice is created. // // Returns: // - slice of uint64 normalized k-mers // - nil if sequence is shorter than k or k is invalid func EncodeNormalizedKmers(seq []byte, k int, buffer *[]uint64) []uint64 { if k < 1 || k > 32 || len(seq) < k { return nil } n := len(seq) - k + 1 var result []uint64 if buffer == nil { result = make([]uint64, 0, n) } else { result = (*buffer)[:0] } // Mask to keep only k*2 bits mask := uint64(1)<<(k*2) - 1 // 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 }