Skip to content

HTTPS clone URL

Subversion checkout URL

You can clone with HTTPS or Subversion.

Download ZIP
tree: 365bbbda28
Fetching contributors…

Cannot retrieve contributors at this time

455 lines (429 sloc) 15.886 kb
/* The MIT License
Copyright (c) 2011 by Attractive Chaos <attractor@live.co.uk>
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.
*/
#include <stdlib.h>
#include <stdint.h>
#include <emmintrin.h>
#include "ksw.h"
#ifdef __GNUC__
#define LIKELY(x) __builtin_expect((x),1)
#define UNLIKELY(x) __builtin_expect((x),0)
#else
#define LIKELY(x) (x)
#define UNLIKELY(x) (x)
#endif
const kswr_t g_defr = { 0, -1, -1, -1, -1, -1, -1 };
struct _kswq_t {
int qlen, slen;
uint8_t shift, mdiff, max, size;
__m128i *qp, *H0, *H1, *E, *Hmax;
};
/**
* Initialize the query data structure
*
* @param size Number of bytes used to store a score; valid valures are 1 or 2
* @param qlen Length of the query sequence
* @param query Query sequence
* @param m Size of the alphabet
* @param mat Scoring matrix in a one-dimension array
*
* @return Query data structure
*/
kswq_t *ksw_qinit(int size, int qlen, const uint8_t *query, int m, const int8_t *mat)
{
kswq_t *q;
int slen, a, tmp, p;
size = size > 1? 2 : 1;
p = 8 * (3 - size); // # values per __m128i
slen = (qlen + p - 1) / p; // segmented length
q = (kswq_t*)malloc(sizeof(kswq_t) + 256 + 16 * slen * (m + 4)); // a single block of memory
q->qp = (__m128i*)(((size_t)q + sizeof(kswq_t) + 15) >> 4 << 4); // align memory
q->H0 = q->qp + slen * m;
q->H1 = q->H0 + slen;
q->E = q->H1 + slen;
q->Hmax = q->E + slen;
q->slen = slen; q->qlen = qlen; q->size = size;
// compute shift
tmp = m * m;
for (a = 0, q->shift = 127, q->mdiff = 0; a < tmp; ++a) { // find the minimum and maximum score
if (mat[a] < (int8_t)q->shift) q->shift = mat[a];
if (mat[a] > (int8_t)q->mdiff) q->mdiff = mat[a];
}
q->max = q->mdiff;
q->shift = 256 - q->shift; // NB: q->shift is uint8_t
q->mdiff += q->shift; // this is the difference between the min and max scores
// An example: p=8, qlen=19, slen=3 and segmentation:
// {{0,3,6,9,12,15,18,-1},{1,4,7,10,13,16,-1,-1},{2,5,8,11,14,17,-1,-1}}
if (size == 1) {
int8_t *t = (int8_t*)q->qp;
for (a = 0; a < m; ++a) {
int i, k, nlen = slen * p;
const int8_t *ma = mat + a * m;
for (i = 0; i < slen; ++i)
for (k = i; k < nlen; k += slen) // p iterations
*t++ = (k >= qlen? 0 : ma[query[k]]) + q->shift;
}
} else {
int16_t *t = (int16_t*)q->qp;
for (a = 0; a < m; ++a) {
int i, k, nlen = slen * p;
const int8_t *ma = mat + a * m;
for (i = 0; i < slen; ++i)
for (k = i; k < nlen; k += slen) // p iterations
*t++ = (k >= qlen? 0 : ma[query[k]]);
}
}
return q;
}
kswr_t ksw_u8(kswq_t *q, int tlen, const uint8_t *target, int _gapo, int _gape, int xtra) // the first gap costs -(_o+_e)
{
int slen, i, m_b, n_b, te = -1, gmax = 0, minsc, endsc;
uint64_t *b;
__m128i zero, gapoe, gape, shift, *H0, *H1, *E, *Hmax;
kswr_t r;
#define __max_16(ret, xx) do { \
(xx) = _mm_max_epu8((xx), _mm_srli_si128((xx), 8)); \
(xx) = _mm_max_epu8((xx), _mm_srli_si128((xx), 4)); \
(xx) = _mm_max_epu8((xx), _mm_srli_si128((xx), 2)); \
(xx) = _mm_max_epu8((xx), _mm_srli_si128((xx), 1)); \
(ret) = _mm_extract_epi16((xx), 0) & 0x00ff; \
} while (0)
// initialization
r = g_defr;
minsc = (xtra&KSW_XSUBO)? xtra&0xffff : 0x10000;
endsc = (xtra&KSW_XSTOP)? xtra&0xffff : 0x10000;
m_b = n_b = 0; b = 0;
zero = _mm_set1_epi32(0);
gapoe = _mm_set1_epi8(_gapo + _gape);
gape = _mm_set1_epi8(_gape);
shift = _mm_set1_epi8(q->shift);
H0 = q->H0; H1 = q->H1; E = q->E; Hmax = q->Hmax;
slen = q->slen;
for (i = 0; i < slen; ++i) {
_mm_store_si128(E + i, zero);
_mm_store_si128(H0 + i, zero);
_mm_store_si128(Hmax + i, zero);
}
// the core loop
for (i = 0; i < tlen; ++i) {
int j, k, cmp, imax;
__m128i e, h, f = zero, max = zero, *S = q->qp + target[i] * slen; // s is the 1st score vector
h = _mm_load_si128(H0 + slen - 1); // h={2,5,8,11,14,17,-1,-1} in the above example
h = _mm_slli_si128(h, 1); // h=H(i-1,-1); << instead of >> because x64 is little-endian
for (j = 0; LIKELY(j < slen); ++j) {
/* SW cells are computed in the following order:
* H(i,j) = max{H(i-1,j-1)+S(i,j), E(i,j), F(i,j)}
* E(i+1,j) = max{H(i,j)-q, E(i,j)-r}
* F(i,j+1) = max{H(i,j)-q, F(i,j)-r}
*/
// compute H'(i,j); note that at the beginning, h=H'(i-1,j-1)
h = _mm_adds_epu8(h, _mm_load_si128(S + j));
h = _mm_subs_epu8(h, shift); // h=H'(i-1,j-1)+S(i,j)
e = _mm_load_si128(E + j); // e=E'(i,j)
h = _mm_max_epu8(h, e);
h = _mm_max_epu8(h, f); // h=H'(i,j)
max = _mm_max_epu8(max, h); // set max
_mm_store_si128(H1 + j, h); // save to H'(i,j)
// now compute E'(i+1,j)
h = _mm_subs_epu8(h, gapoe); // h=H'(i,j)-gapo
e = _mm_subs_epu8(e, gape); // e=E'(i,j)-gape
e = _mm_max_epu8(e, h); // e=E'(i+1,j)
_mm_store_si128(E + j, e); // save to E'(i+1,j)
// now compute F'(i,j+1)
f = _mm_subs_epu8(f, gape);
f = _mm_max_epu8(f, h);
// get H'(i-1,j) and prepare for the next j
h = _mm_load_si128(H0 + j); // h=H'(i-1,j)
}
// NB: we do not need to set E(i,j) as we disallow adjecent insertion and then deletion
for (k = 0; LIKELY(k < 16); ++k) { // this block mimics SWPS3; NB: H(i,j) updated in the lazy-F loop cannot exceed max
f = _mm_slli_si128(f, 1);
for (j = 0; LIKELY(j < slen); ++j) {
h = _mm_load_si128(H1 + j);
h = _mm_max_epu8(h, f); // h=H'(i,j)
_mm_store_si128(H1 + j, h);
h = _mm_subs_epu8(h, gapoe);
f = _mm_subs_epu8(f, gape);
cmp = _mm_movemask_epi8(_mm_cmpeq_epi8(_mm_subs_epu8(f, h), zero));
if (UNLIKELY(cmp == 0xffff)) goto end_loop16;
}
}
end_loop16:
//int k;for (k=0;k<16;++k)printf("%d ", ((uint8_t*)&max)[k]);printf("\n");
__max_16(imax, max); // imax is the maximum number in max
if (imax >= minsc) { // write the b array; this condition adds branching unfornately
if (n_b == 0 || (int32_t)b[n_b-1] + 1 != i) { // then append
if (n_b == m_b) {
m_b = m_b? m_b<<1 : 8;
b = (uint64_t*)realloc(b, 8 * m_b);
}
b[n_b++] = (uint64_t)imax<<32 | i;
} else if ((int)(b[n_b-1]>>32) < imax) b[n_b-1] = (uint64_t)imax<<32 | i; // modify the last
}
if (imax > gmax) {
gmax = imax; te = i; // te is the end position on the target
for (j = 0; LIKELY(j < slen); ++j) // keep the H1 vector
_mm_store_si128(Hmax + j, _mm_load_si128(H1 + j));
if (gmax + q->shift >= 255 || gmax >= endsc) break;
}
S = H1; H1 = H0; H0 = S; // swap H0 and H1
}
r.score = gmax + q->shift < 255? gmax : 255;
r.te = te;
if (r.score != 255) { // get a->qe, the end of query match; find the 2nd best score
int max = -1, low, high, qlen = slen * 16;
uint8_t *t = (uint8_t*)Hmax;
for (i = 0; i < qlen; ++i, ++t)
if ((int)*t > max) max = *t, r.qe = i / 16 + i % 16 * slen;
//printf("%d,%d\n", max, gmax);
if (b) {
i = (r.score + q->max - 1) / q->max;
low = te - i; high = te + i;
for (i = 0; i < n_b; ++i) {
int e = (int32_t)b[i];
if ((e < low || e > high) && b[i]>>32 > (uint32_t)r.score2)
r.score2 = b[i]>>32, r.te2 = e;
}
}
}
free(b);
return r;
}
kswr_t ksw_i16(kswq_t *q, int tlen, const uint8_t *target, int _gapo, int _gape, int xtra) // the first gap costs -(_o+_e)
{
int slen, i, m_b, n_b, te = -1, gmax = 0, minsc, endsc;
uint64_t *b;
__m128i zero, gapoe, gape, *H0, *H1, *E, *Hmax;
kswr_t r;
#define __max_8(ret, xx) do { \
(xx) = _mm_max_epi16((xx), _mm_srli_si128((xx), 8)); \
(xx) = _mm_max_epi16((xx), _mm_srli_si128((xx), 4)); \
(xx) = _mm_max_epi16((xx), _mm_srli_si128((xx), 2)); \
(ret) = _mm_extract_epi16((xx), 0); \
} while (0)
// initialization
r = g_defr;
minsc = (xtra&KSW_XSUBO)? xtra&0xffff : 0x10000;
endsc = (xtra&KSW_XSTOP)? xtra&0xffff : 0x10000;
m_b = n_b = 0; b = 0;
zero = _mm_set1_epi32(0);
gapoe = _mm_set1_epi16(_gapo + _gape);
gape = _mm_set1_epi16(_gape);
H0 = q->H0; H1 = q->H1; E = q->E; Hmax = q->Hmax;
slen = q->slen;
for (i = 0; i < slen; ++i) {
_mm_store_si128(E + i, zero);
_mm_store_si128(H0 + i, zero);
_mm_store_si128(Hmax + i, zero);
}
// the core loop
for (i = 0; i < tlen; ++i) {
int j, k, imax;
__m128i e, h, f = zero, max = zero, *S = q->qp + target[i] * slen; // s is the 1st score vector
h = _mm_load_si128(H0 + slen - 1); // h={2,5,8,11,14,17,-1,-1} in the above example
h = _mm_slli_si128(h, 2);
for (j = 0; LIKELY(j < slen); ++j) {
h = _mm_adds_epi16(h, *S++);
e = _mm_load_si128(E + j);
h = _mm_max_epi16(h, e);
h = _mm_max_epi16(h, f);
max = _mm_max_epi16(max, h);
_mm_store_si128(H1 + j, h);
h = _mm_subs_epu16(h, gapoe);
e = _mm_subs_epu16(e, gape);
e = _mm_max_epi16(e, h);
_mm_store_si128(E + j, e);
f = _mm_subs_epu16(f, gape);
f = _mm_max_epi16(f, h);
h = _mm_load_si128(H0 + j);
}
for (k = 0; LIKELY(k < 16); ++k) {
f = _mm_slli_si128(f, 2);
for (j = 0; LIKELY(j < slen); ++j) {
h = _mm_load_si128(H1 + j);
h = _mm_max_epi16(h, f);
_mm_store_si128(H1 + j, h);
h = _mm_subs_epu16(h, gapoe);
f = _mm_subs_epu16(f, gape);
if(UNLIKELY(!_mm_movemask_epi8(_mm_cmpgt_epi16(f, h)))) goto end_loop8;
}
}
end_loop8:
__max_8(imax, max);
if (imax >= minsc) {
if (n_b == 0 || (int32_t)b[n_b-1] + 1 != i) {
if (n_b == m_b) {
m_b = m_b? m_b<<1 : 8;
b = (uint64_t*)realloc(b, 8 * m_b);
}
b[n_b++] = (uint64_t)imax<<32 | i;
} else if ((int)(b[n_b-1]>>32) < imax) b[n_b-1] = (uint64_t)imax<<32 | i; // modify the last
}
if (imax > gmax) {
gmax = imax; te = i;
for (j = 0; LIKELY(j < slen); ++j)
_mm_store_si128(Hmax + j, _mm_load_si128(H1 + j));
if (gmax >= endsc) break;
}
S = H1; H1 = H0; H0 = S;
}
r.score = gmax; r.te = te;
{
int max = -1, low, high, qlen = slen * 8;
uint16_t *t = (uint16_t*)Hmax;
for (i = 0, r.qe = -1; i < qlen; ++i, ++t)
if ((int)*t > max) max = *t, r.qe = i / 8 + i % 8 * slen;
if (b) {
i = (r.score + q->max - 1) / q->max;
low = te - i; high = te + i;
for (i = 0; i < n_b; ++i) {
int e = (int32_t)b[i];
if ((e < low || e > high) && b[i]>>32 > (uint32_t)r.score2)
r.score2 = b[i]>>32, r.te2 = e;
}
}
}
free(b);
return r;
}
static void revseq(int l, uint8_t *s)
{
int i, t;
for (i = 0; i < l>>1; ++i)
t = s[i], s[i] = s[l - 1 - i], s[l - 1 - i] = t;
}
kswr_t ksw_align(int qlen, uint8_t *query, int tlen, uint8_t *target, int m, const int8_t *mat, int gapo, int gape, int xtra, kswq_t **qry)
{
int size;
kswq_t *q;
kswr_t r, rr;
kswr_t (*func)(kswq_t*, int, const uint8_t*, int, int, int);
q = (qry && *qry)? *qry : ksw_qinit((xtra&KSW_XBYTE)? 1 : 2, qlen, query, m, mat);
if (qry && *qry == 0) *qry = q;
func = q->size == 2? ksw_i16 : ksw_u8;
size = q->size;
r = func(q, tlen, target, gapo, gape, xtra);
if (qry == 0) free(q);
if ((xtra&KSW_XSTART) == 0 || ((xtra&KSW_XSUBO) && r.score < (xtra&0xffff))) return r;
revseq(r.qe + 1, query); revseq(r.te + 1, target); // +1 because qe/te points to the exact end, not the position after the end
q = ksw_qinit(size, r.qe + 1, query, m, mat);
rr = func(q, tlen, target, gapo, gape, KSW_XSTOP | r.score);
revseq(r.qe + 1, query); revseq(r.te + 1, target);
free(q);
if (r.score == rr.score)
r.tb = r.te - rr.te, r.qb = r.qe - rr.qe;
return r;
}
/*******************************************
* Main function (not compiled by default) *
*******************************************/
#ifdef _KSW_MAIN
#include <unistd.h>
#include <stdio.h>
#include <zlib.h>
#include "kseq.h"
KSEQ_INIT(gzFile, gzread)
unsigned char seq_nt4_table[256] = {
4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4,
4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4,
4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4,
4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4,
4, 0, 4, 1, 4, 4, 4, 2, 4, 4, 4, 4, 4, 4, 4, 4,
4, 4, 4, 4, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4,
4, 0, 4, 1, 4, 4, 4, 2, 4, 4, 4, 4, 4, 4, 4, 4,
4, 4, 4, 4, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4,
4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4,
4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4,
4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4,
4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4,
4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4,
4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4,
4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4,
4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4
};
int main(int argc, char *argv[])
{
int c, sa = 1, sb = 3, i, j, k, forward_only = 0, max_rseq = 0;
int8_t mat[25];
int gapo = 5, gape = 2, minsc = 0, xtra = KSW_XSTART;
uint8_t *rseq = 0;
gzFile fpt, fpq;
kseq_t *kst, *ksq;
// parse command line
while ((c = getopt(argc, argv, "a:b:q:r:ft:1")) >= 0) {
switch (c) {
case 'a': sa = atoi(optarg); break;
case 'b': sb = atoi(optarg); break;
case 'q': gapo = atoi(optarg); break;
case 'r': gape = atoi(optarg); break;
case 't': minsc = atoi(optarg); break;
case 'f': forward_only = 1; break;
case '1': xtra |= KSW_XBYTE; break;
}
}
if (optind + 2 > argc) {
fprintf(stderr, "Usage: ksw [-1] [-f] [-a%d] [-b%d] [-q%d] [-r%d] [-t%d] <target.fa> <query.fa>\n", sa, sb, gapo, gape, minsc);
return 1;
}
if (minsc > 0xffff) minsc = 0xffff;
if (minsc > 0) xtra |= KSW_XSUBO | minsc;
// initialize scoring matrix
for (i = k = 0; i < 4; ++i) {
for (j = 0; j < 4; ++j)
mat[k++] = i == j? sa : -sb;
mat[k++] = 0; // ambiguous base
}
for (j = 0; j < 5; ++j) mat[k++] = 0;
// open file
fpt = gzopen(argv[optind], "r"); kst = kseq_init(fpt);
fpq = gzopen(argv[optind+1], "r"); ksq = kseq_init(fpq);
// all-pair alignment
while (kseq_read(ksq) > 0) {
kswq_t *q[2] = {0, 0};
kswr_t r;
for (i = 0; i < (int)ksq->seq.l; ++i) ksq->seq.s[i] = seq_nt4_table[(int)ksq->seq.s[i]];
if (!forward_only) { // reverse
if ((int)ksq->seq.m > max_rseq) {
max_rseq = ksq->seq.m;
rseq = (uint8_t*)realloc(rseq, max_rseq);
}
for (i = 0, j = ksq->seq.l - 1; i < (int)ksq->seq.l; ++i, --j)
rseq[j] = ksq->seq.s[i] == 4? 4 : 3 - ksq->seq.s[i];
}
gzrewind(fpt); kseq_rewind(kst);
while (kseq_read(kst) > 0) {
for (i = 0; i < (int)kst->seq.l; ++i) kst->seq.s[i] = seq_nt4_table[(int)kst->seq.s[i]];
r = ksw_align(ksq->seq.l, (uint8_t*)ksq->seq.s, kst->seq.l, (uint8_t*)kst->seq.s, 5, mat, gapo, gape, xtra, &q[0]);
if (r.score >= minsc)
printf("%s\t%d\t%d\t%s\t%d\t%d\t%d\t%d\t%d\n", kst->name.s, r.tb, r.te+1, ksq->name.s, r.qb, r.qe+1, r.score, r.score2, r.te2);
if (rseq) {
r = ksw_align(ksq->seq.l, rseq, kst->seq.l, (uint8_t*)kst->seq.s, 5, mat, gapo, gape, xtra, &q[1]);
if (r.score >= minsc)
printf("%s\t%d\t%d\t%s\t%d\t%d\t%d\t%d\t%d\n", kst->name.s, r.tb, r.te+1, ksq->name.s, (int)ksq->seq.l - r.qb, (int)ksq->seq.l - 1 - r.qe, r.score, r.score2, r.te2);
}
}
free(q[0]); free(q[1]);
}
free(rseq);
kseq_destroy(kst); gzclose(fpt);
kseq_destroy(ksq); gzclose(fpq);
return 0;
}
#endif
Jump to Line
Something went wrong with that request. Please try again.