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// Copyright © 2018-2021 Wei Shen <shenwei356@gmail.com>
//
// Permission is hereby granted, free of charge, to any person obtaining a copy
// of this software and associated documentation files (the "Software"), to deal
// in the Software without restriction, including without limitation the rights
// to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
// copies of the Software, and to permit persons to whom the Software is
// furnished to do so, subject to the following conditions:
//
// The above copyright notice and this permission notice shall be included in
// all copies or substantial portions of the Software.
//
// THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
// IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
// FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
// AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
// LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
// OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
// THE SOFTWARE.
package sketches
import (
"fmt"
"sync"
"github.com/shenwei356/bio/seq"
"github.com/twotwotwo/sorts"
"github.com/will-rowe/nthash"
)
// ErrInvalidS means s >= k.
var ErrInvalidS = fmt.Errorf("kmers: invalid s-mer size")
// ErrInvalidW means w < 2 or w > (1<<32)-1
var ErrInvalidW = fmt.Errorf("kmers: invalid minimimzer window")
// ErrBufNil means the buffer is nil
var ErrBufNil = fmt.Errorf("kmers: buffer slice is nil")
// ErrBufNotEmpty means the buffer has some elements
var ErrBufNotEmpty = fmt.Errorf("kmers: buffer has elements")
// Sketch is a k-mer sketch iterator
type Sketch struct {
S []byte
k int
s int
circular bool
hasher *nthash.NTHi
kMs int // k-s, just for syncmer
r int // L-s
idx int // current location, 0-based
end int
i, mI int
v, mV uint64
preMinIdx int
buf []IdxValue
i2v IdxValue
flag bool
t, b, e int
// ------ just for syncmer -------
hasherS *nthash.NTHi
bsyncmerIdx int
lateOutputThisOne bool
preMinIdxs []int
// ------ just for minimizer -----
skip bool
minimizer bool
w int
}
var poolSketch = &sync.Pool{New: func() interface{} {
return &Sketch{}
}}
// NewMinimizerSketch returns a SyncmerSketch Iterator.
// It returns the minHashes in all windows of w (w>=1) bp.
func NewMinimizerSketch(S *seq.Seq, k int, w int, circular bool) (*Sketch, error) {
if k < 1 {
return nil, ErrInvalidK
}
if w < 1 || w > (1<<31)-1 {
return nil, ErrInvalidW
}
if len(S.Seq) < k+w-1 {
return nil, ErrShortSeq
}
// sketch := &Sketch{S: S.Seq, w: w, k: k, circular: circular}
sketch := poolSketch.Get().(*Sketch)
sketch.minimizer = true
sketch.k = k
sketch.w = w
sketch.circular = circular
sketch.skip = w == 1
var seq2 []byte
if circular {
seq2 = make([]byte, len(S.Seq), len(S.Seq)+k-1)
copy(seq2, S.Seq) // do not edit original sequence
seq2 = append(seq2, S.Seq[0:k-1]...)
sketch.S = seq2
} else {
seq2 = S.Seq
}
sketch.idx = 0
sketch.end = len(seq2) - 1
sketch.r = w - 1 // L-k
var err error
sketch.hasher, err = nthash.NewHasher(&seq2, uint(k))
if err != nil {
return nil, err
}
if sketch.buf == nil {
sketch.buf = make([]IdxValue, 0, w)
} else {
sketch.buf = sketch.buf[:0]
}
if sketch.preMinIdxs == nil {
sketch.preMinIdxs = make([]int, 0, 8)
} else {
sketch.preMinIdxs = sketch.preMinIdxs[:0]
}
sketch.preMinIdx = -1
return sketch, nil
}
// NewSyncmerSketch returns a SyncmerSketch Iterator.
// 1<=s<=k.
func NewSyncmerSketch(S *seq.Seq, k int, s int, circular bool) (*Sketch, error) {
if k < 1 {
return nil, ErrInvalidK
}
if s > k || s == 0 {
return nil, ErrInvalidS
}
if len(S.Seq) < k*2-s-1 {
return nil, ErrShortSeq
}
// sketch := &Sketch{S: S.Seq, s: s, k: k, circular: circular}
sketch := poolSketch.Get().(*Sketch)
sketch.minimizer = false
sketch.k = k
sketch.s = s
sketch.circular = circular
sketch.skip = s == k
var seq2 []byte
if circular {
seq2 = make([]byte, len(S.Seq), len(S.Seq)+k-1)
copy(seq2, S.Seq) // do not edit original sequence
seq2 = append(seq2, S.Seq[0:k-1]...)
sketch.S = seq2
} else {
seq2 = S.Seq
}
sketch.idx = 0
sketch.end = len(seq2) - 2*k + s + 1 // len(sequence) - L (2*k - s - 1)
sketch.r = 2*k - s - 1 - s // L-s
sketch.kMs = k - s // k-s
sketch.w = k - s
var err error
sketch.hasher, err = nthash.NewHasher(&seq2, uint(k))
if err != nil {
return nil, err
}
sketch.hasherS, err = nthash.NewHasher(&seq2, uint(s))
if err != nil {
return nil, err
}
if sketch.buf == nil {
sketch.buf = make([]IdxValue, 0, (k-s)<<1)
} else {
sketch.buf = sketch.buf[:0]
}
if sketch.preMinIdxs == nil {
sketch.preMinIdxs = make([]int, 0, 8)
} else {
sketch.preMinIdxs = sketch.preMinIdxs[:0]
}
sketch.preMinIdx = -1
return sketch, nil
}
// NextMinimizer returns next minimizer.
func (s *Sketch) NextMinimizer() (code uint64, ok bool) {
for {
if s.idx > s.end {
return 0, false
}
// nthash of current k-mer
code, ok = s.hasher.Next(true)
if !ok {
poolSketch.Put(s)
return code, false
}
if s.skip {
s.mI = s.idx
s.idx++
return code, true
}
// in window
if s.idx < s.r {
s.buf = append(s.buf, IdxValue{Idx: s.idx, Val: code})
s.idx++
continue
}
// end of w
if s.idx == s.r {
s.buf = append(s.buf, IdxValue{Idx: s.idx, Val: code})
// sort.Sort(idxValues(s.buf)) // sort
sorts.Quicksort(idxValues(s.buf)) // sort
s.i2v = s.buf[0]
s.mI, s.mV = s.i2v.Idx, s.i2v.Val
s.preMinIdx = s.mI
s.idx++
return s.i2v.Val, true
}
// find min k-mer
// remove k-mer not in this window.
// have to check position/index one by one
for s.i, s.i2v = range s.buf {
if s.i2v.Idx == s.idx-s.w {
if s.i < s.r {
copy(s.buf[s.i:s.r], s.buf[s.i+1:])
} // happen to be at the end
s.buf = s.buf[:s.r]
break
}
}
// add new k-mer
s.flag = false
// using binary search, faster han linear search
s.b, s.e = 0, s.r-1
for {
s.t = s.b + (s.e-s.b)/2
if code < s.buf[s.t].Val {
s.e = s.t - 1 // end search here
if s.e <= s.b {
s.flag = true
s.i = s.b
break
}
} else {
s.b = s.t + 1 // start here
if s.b >= s.r {
s.flag = false
break
}
if s.b >= s.e {
s.flag = true
s.i = s.e // right here
break
}
}
}
if !s.flag { // it's the biggest one, append to the end
s.buf = append(s.buf, IdxValue{s.idx, code})
} else {
if code >= s.buf[s.i].Val { // have to check again
s.i++
}
s.buf = append(s.buf, blankI2V) // append one element
copy(s.buf[s.i+1:], s.buf[s.i:s.r]) // move right
s.buf[s.i] = IdxValue{s.idx, code}
}
s.i2v = s.buf[0]
if s.i2v.Idx == s.preMinIdx { // deduplicate
s.idx++
continue
}
s.mI, s.mV = s.i2v.Idx, s.i2v.Val
s.preMinIdx = s.mI
s.idx++
return s.i2v.Val, true
}
}
// NextSyncmer returns next syncmer.
func (s *Sketch) NextSyncmer() (code uint64, ok bool) {
for {
if s.idx > s.end {
return 0, false
}
// nthash of current k-mer
code, ok = s.hasher.Next(true)
if !ok {
poolSketch.Put(s)
return code, false
}
// fmt.Printf("\nidx: %d, %s, %d\n", s.idx, s.S[s.idx:s.idx+s.s], code)
// fmt.Printf("idx: %d, pres: %v, pre: %d\n", s.idx, s.preMinIdxs, s.preMinIdx)
if s.skip {
s.idx++
return code, true
}
if len(s.preMinIdxs) > 0 && s.idx == s.preMinIdxs[0] {
// we will output this one in this round
s.lateOutputThisOne = true
} else {
s.lateOutputThisOne = false
}
// find min s-mer
if s.idx == 0 {
for s.i = s.idx; s.i <= s.idx+s.r; s.i++ {
// fmt.Printf("s: %d\n", s.i)
s.v, ok = s.hasherS.Next(true)
if !ok {
return code, false
}
s.buf = append(s.buf, IdxValue{Idx: s.i, Val: s.v})
}
// sort.Sort(idxValues(s.buf))
sorts.Quicksort(idxValues(s.buf)) // sort
} else {
// remove s-mer not in this window.
// have to check position/index one by one
for s.i, s.i2v = range s.buf {
if s.i2v.Idx == s.idx-1 {
if s.i < s.r {
copy(s.buf[s.i:s.r], s.buf[s.i+1:])
} // happen to be at the end
s.buf = s.buf[:s.r]
break
}
}
// add new s-mer
// fmt.Printf("s: %d\n", s.idx+s.r)
s.v, ok = s.hasherS.Next(true)
if !ok {
return code, false
}
s.flag = false
// using binary search, faster han linear search
s.b, s.e = 0, s.r-1
for {
s.t = s.b + (s.e-s.b)/2
if s.v < s.buf[s.t].Val {
s.e = s.t - 1 // end search here
if s.e <= s.b {
s.flag = true
s.i = s.b
break
}
} else {
s.b = s.t + 1 // start here
if s.b >= s.r {
s.flag = false
break
}
if s.b >= s.e {
s.flag = true
s.i = s.e // right here
break
}
}
}
if !s.flag { // it's the biggest one, append to the end
s.buf = append(s.buf, IdxValue{s.idx + s.r, s.v})
} else {
if s.v >= s.buf[s.i].Val { // have to check again
s.i++
}
s.buf = append(s.buf, blankI2V) // append one element
copy(s.buf[s.i+1:], s.buf[s.i:s.r]) // move right
s.buf[s.i] = IdxValue{s.idx + s.r, s.v}
}
}
s.i2v = s.buf[0]
s.mI, s.mV = s.i2v.Idx, s.i2v.Val
// fmt.Printf(" smer: %d: %d\n", s.mI, s.mV)
// find the location of bounded syncmer
if s.mI-s.idx < s.w { // syncmer at the beginning of kmer
s.bsyncmerIdx = s.mI
// fmt.Printf(" bIdx: start: %d\n", s.bsyncmerIdx)
} else { // at the end
s.bsyncmerIdx = s.mI - s.kMs
// fmt.Printf(" bIdx: end: %d\n", s.bsyncmerIdx)
}
// ----------------------------------
// duplicated
if len(s.preMinIdxs) > 0 && s.bsyncmerIdx == s.preMinIdxs[0] {
// fmt.Printf(" duplicated: %d\n", s.bsyncmerIdx)
if s.lateOutputThisOne {
// remove the first element
copy(s.preMinIdxs[0:len(s.preMinIdxs)-1], s.preMinIdxs[1:])
s.preMinIdxs = s.preMinIdxs[0 : len(s.preMinIdxs)-1]
s.idx++
s.preMinIdx = s.bsyncmerIdx
return code, true
}
s.idx++
// s.preMinIdx = s.bsyncmerIdx
continue
}
if s.lateOutputThisOne {
// remove the first element
copy(s.preMinIdxs[0:len(s.preMinIdxs)-1], s.preMinIdxs[1:])
s.preMinIdxs = s.preMinIdxs[0 : len(s.preMinIdxs)-1]
if s.preMinIdx != s.bsyncmerIdx {
s.preMinIdxs = append(s.preMinIdxs, s.bsyncmerIdx)
}
// fmt.Printf(" late2: %d\n", s.preMinIdxs[0])
s.idx++
s.preMinIdx = s.bsyncmerIdx
return code, true
}
// is it current kmer?
if s.bsyncmerIdx == s.idx {
// fmt.Printf(" current: %d\n", s.bsyncmerIdx)
if len(s.preMinIdxs) > 0 {
// remove the first element
copy(s.preMinIdxs[0:len(s.preMinIdxs)-1], s.preMinIdxs[1:])
s.preMinIdxs = s.preMinIdxs[0 : len(s.preMinIdxs)-1]
}
s.idx++
s.preMinIdx = s.bsyncmerIdx
return code, true
}
if s.preMinIdx != s.bsyncmerIdx {
s.preMinIdxs = append(s.preMinIdxs, s.bsyncmerIdx)
}
// fmt.Printf(" return it later: %d\n", s.bsyncmerIdx)
s.idx++
s.preMinIdx = s.bsyncmerIdx
}
}
// Next returns next sketch
func (s *Sketch) Next() (uint64, bool) {
if s.minimizer {
return s.NextMinimizer()
}
return s.NextSyncmer()
}
// Index returns current 0-baesd index
func (s *Sketch) Index() int {
if s.minimizer {
return s.mI
}
return s.idx - 1
}
// IdxValue is for storing k-mer hash and it's location when computing k-mer sketches.
type IdxValue struct {
Idx int // index
Val uint64 // hash
}
var blankI2V = IdxValue{0, 0}
type idxValues []IdxValue
func (l idxValues) Len() int { return len(l) }
func (l idxValues) Less(i int, j int) bool { return l[i].Val < l[j].Val }
func (l idxValues) Swap(i int, j int) { l[i], l[j] = l[j], l[i] }
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