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bwtsw2_core.c
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bwtsw2_core.c
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#include <stdlib.h>
#include <string.h>
#include <stdio.h>
#include <sys/resource.h>
#include <assert.h>
#include "bwt_lite.h"
#include "bwtsw2.h"
#include "bwt.h"
#include "kvec.h"
typedef struct {
bwtint_t k, l;
} qintv_t;
#define qintv_eq(a, b) ((a).k == (b).k && (a).l == (b).l)
#define qintv_hash(a) ((a).k>>7^(a).l<<17)
#include "khash.h"
KHASH_INIT(qintv, qintv_t, uint64_t, 1, qintv_hash, qintv_eq)
KHASH_MAP_INIT_INT64(64, uint64_t)
#define MINUS_INF -0x3fffffff
#define MASK_LEVEL 0.90f
struct __mempool_t;
static void mp_destroy(struct __mempool_t*);
typedef struct {
bwtint_t qk, ql;
int I, D, G;
uint32_t pj:2, qlen:30;
int tlen;
int ppos, upos;
int cpos[4];
} bsw2cell_t;
#include "ksort.h"
KSORT_INIT_GENERIC(int)
#define __hitG_lt(a, b) (((a).G + ((int)(a).n_seeds<<2)) > (b).G + ((int)(b).n_seeds<<2))
KSORT_INIT(hitG, bsw2hit_t, __hitG_lt)
static const bsw2cell_t g_default_cell = { 0, 0, MINUS_INF, MINUS_INF, MINUS_INF, 0, 0, 0, -1, -1, {-1, -1, -1, -1} };
typedef struct {
int n, max;
uint32_t tk, tl; // this is fine
bsw2cell_t *array;
} bsw2entry_t, *bsw2entry_p;
/* --- BEGIN: Stack operations --- */
typedef struct {
int n_pending;
kvec_t(bsw2entry_p) stack0, pending;
struct __mempool_t *pool;
} bsw2stack_t;
#define stack_isempty(s) (kv_size(s->stack0) == 0 && s->n_pending == 0)
static void stack_destroy(bsw2stack_t *s) { mp_destroy(s->pool); kv_destroy(s->stack0); kv_destroy(s->pending); free(s); }
inline static void stack_push0(bsw2stack_t *s, bsw2entry_p e) { kv_push(bsw2entry_p, s->stack0, e); }
inline static bsw2entry_p stack_pop(bsw2stack_t *s)
{
assert(!(kv_size(s->stack0) == 0 && s->n_pending != 0));
return kv_pop(s->stack0);
}
/* --- END: Stack operations --- */
/* --- BEGIN: memory pool --- */
typedef struct __mempool_t {
int cnt; // if cnt!=0, then there must be memory leak
kvec_t(bsw2entry_p) pool;
} mempool_t;
inline static bsw2entry_p mp_alloc(mempool_t *mp)
{
++mp->cnt;
if (kv_size(mp->pool) == 0) return (bsw2entry_t*)calloc(1, sizeof(bsw2entry_t));
else return kv_pop(mp->pool);
}
inline static void mp_free(mempool_t *mp, bsw2entry_p e)
{
--mp->cnt; e->n = 0;
kv_push(bsw2entry_p, mp->pool, e);
}
static void mp_destroy(struct __mempool_t *mp)
{
int i;
for (i = 0; i != kv_size(mp->pool); ++i) {
free(kv_A(mp->pool, i)->array);
free(kv_A(mp->pool, i));
}
kv_destroy(mp->pool);
free(mp);
}
/* --- END: memory pool --- */
/* --- BEGIN: utilities --- */
static khash_t(64) *bsw2_connectivity(const bwtl_t *b)
{
khash_t(64) *h;
uint32_t k, l, cntk[4], cntl[4]; // this is fine
uint64_t x;
khiter_t iter;
int j, ret;
kvec_t(uint64_t) stack;
kv_init(stack);
h = kh_init(64);
kh_resize(64, h, b->seq_len * 4);
x = b->seq_len;
kv_push(uint64_t, stack, x);
while (kv_size(stack)) {
x = kv_pop(stack);
k = x>>32; l = (uint32_t)x;
bwtl_2occ4(b, k-1, l, cntk, cntl);
for (j = 0; j != 4; ++j) {
k = b->L2[j] + cntk[j] + 1;
l = b->L2[j] + cntl[j];
if (k > l) continue;
x = (uint64_t)k << 32 | l;
iter = kh_put(64, h, x, &ret);
if (ret) { // if not present
kh_value(h, iter) = 1;
kv_push(uint64_t, stack, x);
} else ++kh_value(h, iter);
}
}
kv_destroy(stack);
//fprintf(stderr, "[bsw2_connectivity] %u nodes in the DAG\n", kh_size(h));
return h;
}
// pick up top T matches at a node
static void cut_tail(bsw2entry_t *u, int T, bsw2entry_t *aux)
{
int i, *a, n, x;
if (u->n <= T) return;
if (aux->max < u->n) {
aux->max = u->n;
aux->array = (bsw2cell_t*)realloc(aux->array, aux->max * sizeof(bsw2cell_t));
}
a = (int*)aux->array;
for (i = n = 0; i != u->n; ++i)
if (u->array[i].ql && u->array[i].G > 0)
a[n++] = -u->array[i].G;
if (n <= T) return;
x = -ks_ksmall(int, n, a, T);
n = 0;
for (i = 0; i < u->n; ++i) {
bsw2cell_t *p = u->array + i;
if (p->G == x) ++n;
if (p->G < x || (p->G == x && n >= T)) {
p->qk = p->ql = 0; p->G = 0;
if (p->ppos >= 0) u->array[p->ppos].cpos[p->pj] = -1;
}
}
}
// remove duplicated cells
static inline void remove_duplicate(bsw2entry_t *u, khash_t(qintv) *hash)
{
int i, ret, j;
khiter_t k;
qintv_t key;
kh_clear(qintv, hash);
for (i = 0; i != u->n; ++i) {
bsw2cell_t *p = u->array + i;
if (p->ql == 0) continue;
key.k = p->qk; key.l = p->ql;
k = kh_put(qintv, hash, key, &ret);
j = -1;
if (ret == 0) {
if ((uint32_t)kh_value(hash, k) >= p->G) j = i;
else {
j = kh_value(hash, k)>>32;
kh_value(hash, k) = (uint64_t)i<<32 | p->G;
}
} else kh_value(hash, k) = (uint64_t)i<<32 | p->G;
if (j >= 0) {
p = u->array + j;
p->qk = p->ql = 0; p->G = 0;
if (p->ppos >= 0) u->array[p->ppos].cpos[p->pj] = -3;
}
}
}
// merge two entries
static void merge_entry(const bsw2opt_t * __restrict opt, bsw2entry_t *u, bsw2entry_t *v, bwtsw2_t *b)
{
int i;
if (u->n + v->n >= u->max) {
u->max = u->n + v->n;
u->array = (bsw2cell_t*)realloc(u->array, u->max * sizeof(bsw2cell_t));
}
for (i = 0; i != v->n; ++i) {
bsw2cell_t *p = v->array + i;
if (p->ppos >= 0) p->ppos += u->n;
if (p->cpos[0] >= 0) p->cpos[0] += u->n;
if (p->cpos[1] >= 0) p->cpos[1] += u->n;
if (p->cpos[2] >= 0) p->cpos[2] += u->n;
if (p->cpos[3] >= 0) p->cpos[3] += u->n;
}
memcpy(u->array + u->n, v->array, v->n * sizeof(bsw2cell_t));
u->n += v->n;
}
static inline bsw2cell_t *push_array_p(bsw2entry_t *e)
{
if (e->n == e->max) {
e->max = e->max? e->max<<1 : 256;
e->array = (bsw2cell_t*)realloc(e->array, sizeof(bsw2cell_t) * e->max);
}
return e->array + e->n;
}
static inline double time_elapse(const struct rusage *curr, const struct rusage *last)
{
long t1 = (curr->ru_utime.tv_sec - last->ru_utime.tv_sec) + (curr->ru_stime.tv_sec - last->ru_stime.tv_sec);
long t2 = (curr->ru_utime.tv_usec - last->ru_utime.tv_usec) + (curr->ru_stime.tv_usec - last->ru_stime.tv_usec);
return (double)t1 + t2 * 1e-6;
}
/* --- END: utilities --- */
/* --- BEGIN: processing partial hits --- */
static void save_hits(const bwtl_t *bwt, int thres, bsw2hit_t *hits, bsw2entry_t *u)
{
int i;
uint32_t k; // this is fine
for (i = 0; i < u->n; ++i) {
bsw2cell_t *p = u->array + i;
if (p->G < thres) continue;
for (k = u->tk; k <= u->tl; ++k) {
int beg, end;
bsw2hit_t *q = 0;
beg = bwt->sa[k]; end = beg + p->tlen;
if (p->G > hits[beg*2].G) {
hits[beg*2+1] = hits[beg*2];
q = hits + beg * 2;
} else if (p->G > hits[beg*2+1].G) q = hits + beg * 2 + 1;
if (q) {
q->k = p->qk; q->l = p->ql; q->len = p->qlen; q->G = p->G;
q->beg = beg; q->end = end; q->G2 = q->k == q->l? 0 : q->G;
q->flag = q->n_seeds = 0;
}
}
}
}
/* "narrow hits" are node-to-node hits that have a high score and
* are not so repetitive (|SA interval|<=IS). */
static void save_narrow_hits(const bwtl_t *bwtl, bsw2entry_t *u, bwtsw2_t *b1, int t, int IS)
{
int i;
for (i = 0; i < u->n; ++i) {
bsw2hit_t *q;
bsw2cell_t *p = u->array + i;
if (p->G >= t && p->ql - p->qk + 1 <= IS) { // good narrow hit
if (b1->max == b1->n) {
b1->max = b1->max? b1->max<<1 : 4;
b1->hits = realloc(b1->hits, b1->max * sizeof(bsw2hit_t));
}
q = &b1->hits[b1->n++];
q->k = p->qk; q->l = p->ql;
q->len = p->qlen;
q->G = p->G; q->G2 = 0;
q->beg = bwtl->sa[u->tk]; q->end = q->beg + p->tlen;
q->flag = 0;
// delete p
p->qk = p->ql = 0; p->G = 0;
if (p->ppos >= 0) u->array[p->ppos].cpos[p->pj] = -3;
}
}
}
/* after this, "narrow SA hits" will be expanded and the coordinates
* will be obtained and stored in b->hits[*].k. */
int bsw2_resolve_duphits(const bntseq_t *bns, const bwt_t *bwt, bwtsw2_t *b, int IS)
{
int i, j, n, is_rev;
if (b->n == 0) return 0;
if (bwt && bns) { // convert to chromosomal coordinates if requested
int old_n = b->n;
bsw2hit_t *old_hits = b->hits;
for (i = n = 0; i < b->n; ++i) { // compute the memory to allocated
bsw2hit_t *p = old_hits + i;
if (p->l - p->k + 1 <= IS) n += p->l - p->k + 1;
else if (p->G > 0) ++n;
}
b->n = b->max = n;
b->hits = calloc(b->max, sizeof(bsw2hit_t));
for (i = j = 0; i < old_n; ++i) {
bsw2hit_t *p = old_hits + i;
if (p->l - p->k + 1 <= IS) { // the hit is no so repetitive
bwtint_t k;
if (p->G == 0 && p->k == 0 && p->l == 0 && p->len == 0) continue;
for (k = p->k; k <= p->l; ++k) {
b->hits[j] = *p;
b->hits[j].k = bns_depos(bns, bwt_sa(bwt, k), &is_rev);
b->hits[j].l = 0;
b->hits[j].is_rev = is_rev;
if (is_rev) b->hits[j].k -= p->len - 1;
++j;
}
} else if (p->G > 0) {
b->hits[j] = *p;
b->hits[j].k = bns_depos(bns, bwt_sa(bwt, p->k), &is_rev);
b->hits[j].l = 0;
b->hits[j].flag |= 1;
b->hits[j].is_rev = is_rev;
if (is_rev) b->hits[j].k -= p->len - 1;
++j;
}
}
free(old_hits);
}
for (i = j = 0; i < b->n; ++i) // squeeze out empty elements
if (b->hits[i].G) b->hits[j++] = b->hits[i];
b->n = j;
ks_introsort(hitG, b->n, b->hits);
for (i = 1; i < b->n; ++i) {
bsw2hit_t *p = b->hits + i;
for (j = 0; j < i; ++j) {
bsw2hit_t *q = b->hits + j;
int compatible = 1;
if (p->is_rev != q->is_rev) continue; // hits from opposite strands are not duplicates
if (p->l == 0 && q->l == 0) {
int qol = (p->end < q->end? p->end : q->end) - (p->beg > q->beg? p->beg : q->beg); // length of query overlap
if (qol < 0) qol = 0;
if ((float)qol / (p->end - p->beg) > MASK_LEVEL || (float)qol / (q->end - q->beg) > MASK_LEVEL) {
int64_t tol = (int64_t)(p->k + p->len < q->k + q->len? p->k + p->len : q->k + q->len)
- (int64_t)(p->k > q->k? p->k : q->k); // length of target overlap
if ((double)tol / p->len > MASK_LEVEL || (double)tol / q->len > MASK_LEVEL)
compatible = 0;
}
}
if (!compatible) {
p->G = 0;
if (q->G2 < p->G2) q->G2 = p->G2;
break;
}
}
}
n = i;
for (i = j = 0; i < n; ++i) {
if (b->hits[i].G == 0) continue;
if (i != j) b->hits[j++] = b->hits[i];
else ++j;
}
b->n = j;
return b->n;
}
int bsw2_resolve_query_overlaps(bwtsw2_t *b, float mask_level)
{
int i, j, n;
if (b->n == 0) return 0;
ks_introsort(hitG, b->n, b->hits);
{ // choose a random one
int G0 = b->hits[0].G;
for (i = 1; i < b->n; ++i)
if (b->hits[i].G != G0) break;
j = (int)(i * drand48());
if (j) {
bsw2hit_t tmp;
tmp = b->hits[0]; b->hits[0] = b->hits[j]; b->hits[j] = tmp;
}
}
for (i = 1; i < b->n; ++i) {
bsw2hit_t *p = b->hits + i;
int all_compatible = 1;
if (p->G == 0) break;
for (j = 0; j < i; ++j) {
bsw2hit_t *q = b->hits + j;
int64_t tol = 0;
int qol, compatible = 0;
float fol;
if (q->G == 0) continue;
qol = (p->end < q->end? p->end : q->end) - (p->beg > q->beg? p->beg : q->beg);
if (qol < 0) qol = 0;
if (p->l == 0 && q->l == 0) {
tol = (int64_t)(p->k + p->len < q->k + q->len? p->k + p->len : q->k + q->len)
- (p->k > q->k? p->k : q->k);
if (tol < 0) tol = 0;
}
fol = (float)qol / (p->end - p->beg < q->end - q->beg? p->end - p->beg : q->end - q->beg);
if (fol < mask_level || (tol > 0 && qol < p->end - p->beg && qol < q->end - q->beg)) compatible = 1;
if (!compatible) {
if (q->G2 < p->G) q->G2 = p->G;
all_compatible = 0;
}
}
if (!all_compatible) p->G = 0;
}
n = i;
for (i = j = 0; i < n; ++i) {
if (b->hits[i].G == 0) continue;
if (i != j) b->hits[j++] = b->hits[i];
else ++j;
}
b->n = j;
return j;
}
/* --- END: processing partial hits --- */
/* --- BEGIN: global mem pool --- */
bsw2global_t *bsw2_global_init()
{
bsw2global_t *pool;
bsw2stack_t *stack;
pool = calloc(1, sizeof(bsw2global_t));
stack = calloc(1, sizeof(bsw2stack_t));
stack->pool = (mempool_t*)calloc(1, sizeof(mempool_t));
pool->stack = (void*)stack;
return pool;
}
void bsw2_global_destroy(bsw2global_t *pool)
{
stack_destroy((bsw2stack_t*)pool->stack);
free(pool->aln_mem);
free(pool);
}
/* --- END: global mem pool --- */
static inline int fill_cell(const bsw2opt_t *o, int match_score, bsw2cell_t *c[4])
{
int G = c[3]? c[3]->G + match_score : MINUS_INF;
if (c[1]) {
c[0]->I = c[1]->I > c[1]->G - o->q? c[1]->I - o->r : c[1]->G - o->qr;
if (c[0]->I > G) G = c[0]->I;
} else c[0]->I = MINUS_INF;
if (c[2]) {
c[0]->D = c[2]->D > c[2]->G - o->q? c[2]->D - o->r : c[2]->G - o->qr;
if (c[0]->D > G) G = c[0]->D;
} else c[0]->D = MINUS_INF;
return(c[0]->G = G);
}
static void init_bwtsw2(const bwtl_t *target, const bwt_t *query, bsw2stack_t *s)
{
bsw2entry_t *u;
bsw2cell_t *x;
u = mp_alloc(s->pool);
u->tk = 0; u->tl = target->seq_len;
x = push_array_p(u);
*x = g_default_cell;
x->G = 0; x->qk = 0; x->ql = query->seq_len;
u->n++;
stack_push0(s, u);
}
/* On return, ret[1] keeps not-so-repetitive hits (narrow SA hits); ret[0] keeps all hits (right?) */
bwtsw2_t **bsw2_core(const bntseq_t *bns, const bsw2opt_t *opt, const bwtl_t *target, const bwt_t *query, bsw2global_t *pool)
{
bsw2stack_t *stack = (bsw2stack_t*)pool->stack;
bwtsw2_t *b, *b1, **b_ret;
int i, j, score_mat[16], *heap, heap_size, n_tot = 0;
struct rusage curr, last;
khash_t(qintv) *rhash;
khash_t(64) *chash;
// initialize connectivity hash (chash)
chash = bsw2_connectivity(target);
// calculate score matrix
for (i = 0; i != 4; ++i)
for (j = 0; j != 4; ++j)
score_mat[i<<2|j] = (i == j)? opt->a : -opt->b;
// initialize other variables
rhash = kh_init(qintv);
init_bwtsw2(target, query, stack);
heap_size = opt->z;
heap = calloc(heap_size, sizeof(int));
// initialize the return struct
b = (bwtsw2_t*)calloc(1, sizeof(bwtsw2_t));
b->n = b->max = target->seq_len * 2;
b->hits = calloc(b->max, sizeof(bsw2hit_t));
b1 = (bwtsw2_t*)calloc(1, sizeof(bwtsw2_t));
b_ret = calloc(2, sizeof(void*));
b_ret[0] = b; b_ret[1] = b1;
// initialize timer
getrusage(0, &last);
// the main loop: traversal of the DAG
while (!stack_isempty(stack)) {
int old_n, tj;
bsw2entry_t *v;
uint32_t tcntk[4], tcntl[4];
bwtint_t k, l;
v = stack_pop(stack); old_n = v->n;
n_tot += v->n;
for (i = 0; i < v->n; ++i) { // test max depth and band width
bsw2cell_t *p = v->array + i;
if (p->ql == 0) continue;
if (p->tlen - (int)p->qlen > opt->bw || (int)p->qlen - p->tlen > opt->bw) {
p->qk = p->ql = 0;
if (p->ppos >= 0) v->array[p->ppos].cpos[p->pj] = -5;
}
}
// get Occ for the DAG
bwtl_2occ4(target, v->tk - 1, v->tl, tcntk, tcntl);
for (tj = 0; tj != 4; ++tj) { // descend to the children
bwtint_t qcntk[4], qcntl[4];
int qj, *curr_score_mat = score_mat + tj * 4;
khiter_t iter;
bsw2entry_t *u;
k = target->L2[tj] + tcntk[tj] + 1;
l = target->L2[tj] + tcntl[tj];
if (k > l) continue;
// update counter
iter = kh_get(64, chash, (uint64_t)k<<32 | l);
--kh_value(chash, iter);
// initialization
u = mp_alloc(stack->pool);
u->tk = k; u->tl = l;
memset(heap, 0, sizeof(int) * opt->z);
// loop through all the nodes in v
for (i = 0; i < v->n; ++i) {
bsw2cell_t *p = v->array + i, *x, *c[4]; // c[0]=>current, c[1]=>I, c[2]=>D, c[3]=>G
int is_added = 0;
if (p->ql == 0) continue; // deleted node
c[0] = x = push_array_p(u);
x->G = MINUS_INF;
p->upos = x->upos = -1;
if (p->ppos >= 0) { // parent has been visited
c[1] = (v->array[p->ppos].upos >= 0)? u->array + v->array[p->ppos].upos : 0;
c[3] = v->array + p->ppos; c[2] = p;
if (fill_cell(opt, curr_score_mat[p->pj], c) > 0) { // then update topology at p and x
x->ppos = v->array[p->ppos].upos; // the parent pos in u
p->upos = u->n++; // the current pos in u
if (x->ppos >= 0) u->array[x->ppos].cpos[p->pj] = p->upos; // the child pos of its parent in u
is_added = 1;
}
} else {
x->D = p->D > p->G - opt->q? p->D - opt->r : p->G - opt->qr;
if (x->D > 0) {
x->G = x->D;
x->I = MINUS_INF; x->ppos = -1;
p->upos = u->n++;
is_added = 1;
}
}
if (is_added) { // x has been added to u->array. fill the remaining variables
x->cpos[0] = x->cpos[1] = x->cpos[2] = x->cpos[3] = -1;
x->pj = p->pj; x->qk = p->qk; x->ql = p->ql; x->qlen = p->qlen; x->tlen = p->tlen + 1;
if (x->G > -heap[0]) {
heap[0] = -x->G;
ks_heapadjust(int, 0, heap_size, heap);
}
}
if ((x->G > opt->qr && x->G >= -heap[0]) || i < old_n) { // good node in u, or in v
if (p->cpos[0] == -1 || p->cpos[1] == -1 || p->cpos[2] == -1 || p->cpos[3] == -1) {
bwt_2occ4(query, p->qk - 1, p->ql, qcntk, qcntl);
for (qj = 0; qj != 4; ++qj) { // descend to the prefix trie
if (p->cpos[qj] != -1) continue; // this node will be visited later
k = query->L2[qj] + qcntk[qj] + 1;
l = query->L2[qj] + qcntl[qj];
if (k > l) { p->cpos[qj] = -2; continue; }
x = push_array_p(v);
p = v->array + i; // p may not point to the correct position after realloc
x->G = x->I = x->D = MINUS_INF;
x->qk = k; x->ql = l; x->pj = qj; x->qlen = p->qlen + 1; x->ppos = i; x->tlen = p->tlen;
x->cpos[0] = x->cpos[1] = x->cpos[2] = x->cpos[3] = -1;
p->cpos[qj] = v->n++;
} // ~for(qj)
} // ~if(p->cpos[])
} // ~if
} // ~for(i)
if (u->n) save_hits(target, opt->t, b->hits, u);
{ // push u to the stack (or to the pending array)
uint32_t cnt, pos;
cnt = (uint32_t)kh_value(chash, iter);
pos = kh_value(chash, iter)>>32;
if (pos) { // something in the pending array, then merge
bsw2entry_t *w = kv_A(stack->pending, pos-1);
if (u->n) {
if (w->n < u->n) { // swap
w = u; u = kv_A(stack->pending, pos-1); kv_A(stack->pending, pos-1) = w;
}
merge_entry(opt, w, u, b);
}
if (cnt == 0) { // move from pending to stack0
remove_duplicate(w, rhash);
save_narrow_hits(target, w, b1, opt->t, opt->is);
cut_tail(w, opt->z, u);
stack_push0(stack, w);
kv_A(stack->pending, pos-1) = 0;
--stack->n_pending;
}
mp_free(stack->pool, u);
} else if (cnt) { // the first time
if (u->n) { // push to the pending queue
++stack->n_pending;
kv_push(bsw2entry_p, stack->pending, u);
kh_value(chash, iter) = (uint64_t)kv_size(stack->pending)<<32 | cnt;
} else mp_free(stack->pool, u);
} else { // cnt == 0, then push to the stack
bsw2entry_t *w = mp_alloc(stack->pool);
save_narrow_hits(target, u, b1, opt->t, opt->is);
cut_tail(u, opt->z, w);
mp_free(stack->pool, w);
stack_push0(stack, u);
}
}
} // ~for(tj)
mp_free(stack->pool, v);
} // while(top)
getrusage(0, &curr);
for (i = 0; i < 2; ++i)
for (j = 0; j < b_ret[i]->n; ++j)
b_ret[i]->hits[j].n_seeds = 0;
bsw2_resolve_duphits(bns, query, b, opt->is);
bsw2_resolve_duphits(bns, query, b1, opt->is);
//fprintf(stderr, "stats: %.3lf sec; %d elems\n", time_elapse(&curr, &last), n_tot);
// free
free(heap);
kh_destroy(qintv, rhash);
kh_destroy(64, chash);
stack->pending.n = stack->stack0.n = 0;
return b_ret;
}