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/* This code seems a bit messy and complicated - can it be simplified? */
#include <assert.h>
#include <float.h>
#include "util.h"
#include "column_sample.h"
int sample(double *ptr, int size, const double temperature) {
const double max = *max_dbl(ptr, size);
const double *end = ptr + size;
double *i;
assert(size > 0);
for (i = ptr; i != end; ++i)
*i = xexp(*i - max);
pow_dbl(ptr, size, 1 / temperature);
return pick_dbl(ptr, size) - ptr;
}
/* Set positions of new column to the left of old column */
void col_put_left(column_sampler *s, const glam2_aln *aln, const int col) {
int i;
assert(col < aln->width);
for (i = 0; i < aln->seq_num; ++i)
if (ALIGNED(aln, i))
s->col.positions[i] = LEFT_POS(&aln->cols[col], i) - s->offsets[i]
- s->col.matches[i];
else
s->col.positions[i] = 0; /* dummy value */
}
/* Set positions of new column to the right of old column */
void col_put_right(column_sampler *s, const glam2_aln *aln, const int col) {
int i;
assert(col < aln->width);
for (i = 0; i < aln->seq_num; ++i)
if (ALIGNED(aln, i))
s->col.positions[i] = RIGHT_POS(&aln->cols[col], i) + s->offsets[i];
else
s->col.positions[i] = 0; /* dummy value */
}
/* Count residues in one column of an alignment */
void count_residues(glam2_col *col, const glam2_aln *aln, const mfasta *m) {
int i;
ZERO(col->emission_counts, col->alph_size+1);
for (i = 0; i < col->seq_num; ++i)
if (ALIGNED(aln, i) && col->matches[i]) {
const int *seq = aln->strands[i] == '+' ? m->f[i].seq : m->f[i].rcseq;
++col->emission_counts[seq[col->positions[i]]];
}
}
/* Count insertions to the right of a column. Returns 0 for rightmost column */
int count_right_insert(const glam2_aln *aln, const int col) {
int count = 0;
int i;
assert(col < aln->width);
for (i = 0; i < aln->seq_num; ++i)
if (ALIGNED(aln, i))
count += RIGHT_INSERT(aln, col, i);
return count;
}
int sum_offsets(const int *offsets, const glam2_aln *aln) {
int sum = 0;
int i;
for (i = 0; i < aln->seq_num; ++i)
if (ALIGNED(aln, i))
sum += offsets[i];
return sum;
}
/* Get offsets between columns col-1 and col */
void get_offsets(int *offsets, const glam2_aln *aln, const int col) {
int i;
int min = INT_MAX;
assert(col > 0 && col < aln->width);
for (i = 0; i < aln->seq_num; ++i)
if (ALIGNED(aln, i)) {
offsets[i] = LEFT_INSERT(aln, col, i);
if (offsets[i] < min)
min = offsets[i];
} else
offsets[i] = 0; /* dummy value */
add_int(offsets, aln->seq_num, -min);
}
/* Get the index of the first aligned sequence */
int first_aligned_seq(const glam2_aln *aln) {
int i;
for (i = 0; i < aln->seq_num; ++i)
if (ALIGNED(aln, i))
break;
assert(i != aln->seq_num);
return i;
}
/* Check whether matches/deletions and right offsets are identical */
int col_comp_left(const column_sampler *s, const glam2_aln *aln, int col) {
int i = first_aligned_seq(aln);
int off = RIGHT_INSERT(aln, col, i) - s->offsets[i];
assert(col != aln->width-1);
for (; i < aln->seq_num; ++i)
if (ALIGNED(aln, i))
if (s->col.matches[i] != aln->cols[col].matches[i] ||
RIGHT_INSERT(aln, col, i) - s->offsets[i] != off)
return 0;
return 1;
}
/* Check whether matches/deletions and left offsets are identical */
int col_comp_right(const column_sampler *s, const glam2_aln *aln, int col) {
int i = first_aligned_seq(aln);
int off = LEFT_INSERT(aln, col, i) - s->offsets[i];
assert(col != 0);
for (; i < aln->seq_num; ++i)
if (ALIGNED(aln, i))
if (s->col.matches[i] != aln->cols[col].matches[i] ||
LEFT_INSERT(aln, col, i) - s->offsets[i] != off)
return 0;
return 1;
}
/* Count matching columns */
int col_count_left(const column_sampler *s, const glam2_aln *aln) {
int count = 0;
int i;
for (i = 0; i < aln->width-1; ++i)
count += col_comp_left(s, aln, i);
return count;
}
/* Count matching columns */
int col_count_right(const column_sampler *s, const glam2_aln *aln) {
int count = 0;
int i;
for (i = 1; i < aln->width; ++i)
count += col_comp_right(s, aln, i);
return count;
}
/* How many columns can we fit between columns col-1 and col */
int col_fit(const column_sampler *s, const glam2_aln *aln, const int col) {
int i;
int min = INT_MAX;
assert(col > 0 && col < aln->width);
for (i = 0; i < aln->seq_num; ++i)
if (ALIGNED(aln, i)) {
const int fit = LEFT_INSERT(aln, col, i)
- s->offsets[i] - s->col.matches[i] + 1;
if (fit < min)
min = fit;
}
return min > 0 ? min : 0;
}
/* How many columns can we fit before the first column? */
int col_fit_left(const column_sampler *s, const glam2_aln *aln) {
int i;
int min = INT_MAX;
for (i = 0; i < aln->seq_num; ++i)
if (ALIGNED(aln, i)) {
const int fit = LEFT_POS(&aln->cols[0], i)
- s->offsets[i] - s->col.matches[i] + 1;
if (fit < min)
min = fit;
}
return min > 0 ? min : 0;
}
/* How many columns can we fit after the last column? */
int col_fit_right(const column_sampler *s, const glam2_aln *aln,
const mfasta *m) {
const int w = aln->width;
int i;
int min = INT_MAX;
for (i = 0; i < aln->seq_num; ++i)
if (ALIGNED(aln, i)) {
const int fit = m->f[i].seqlen - RIGHT_POS(&aln->cols[w-1], i)
- s->offsets[i] - s->col.matches[i] + 1;
if (fit < min)
min = fit;
}
return min > 0 ? min : 0;
}
void left_fits(column_sampler *s, const glam2_aln *aln) {
int i;
s->fits[0] = col_fit_left(s, aln);
for (i = 1; i < aln->width; ++i)
s->fits[i] = col_fit(s, aln, i);
}
void right_fits(column_sampler *s, const glam2_aln *aln, const mfasta *m) {
int i;
for (i = 1; i < aln->width; ++i)
s->fits[i-1] = col_fit(s, aln, i);
s->fits[aln->width-1] = col_fit_right(s, aln, m);
}
void col_scan_left(column_sampler *s, const glam2_aln *aln, data *d) {
const int aligned_seq = aln->aligned_seq;
const int off_tot = sum_offsets(s->offsets, aln);
const int res_tot = off_tot + s->col.match_count;
double *score_ptr = s->scores;
int i, j;
for (i = 0; i < aln->width; ++i) {
const double old_score = i != 0 ?
insertion_score(&d->scorer, aln->insert_counts[i-1], aligned_seq) : 0;
int right_inserts = off_tot;
int left_inserts = i != 0 ?
aln->insert_counts[i-1] - res_tot : 0;
col_put_left(s, aln, i);
for (j = 0; j < s->fits[i]; ++j) {
assert(score_ptr-s->scores < d->seqs.maxlen+d->a.max_width);
count_residues(&s->col, aln, &d->seqs);
*score_ptr = column_score(&d->scorer, &s->col)
+ insertion_score(&d->scorer, right_inserts, aligned_seq);
if (i != 0)
*score_ptr += insertion_score(&d->scorer, left_inserts, aligned_seq)
- old_score;
if (s->col.emission_counts[s->col.alph_size])
*score_ptr = -DBL_MAX; /* forbid ambiguous residues */
add_int(s->col.positions, aln->seq_num, -1); /* add -1 to positions */
right_inserts += aligned_seq;
left_inserts -= aligned_seq;
++score_ptr;
}
}
}
void col_scan_right(column_sampler *s, const glam2_aln *aln, data *d) {
const int aligned_seq = aln->aligned_seq;
const int off_tot = sum_offsets(s->offsets, aln);
const int res_tot = off_tot + s->col.match_count;
double *score_ptr = s->scores;
int i, j;
for (i = 0; i < aln->width; ++i) {
const double old_score = i != aln->width-1 ?
insertion_score(&d->scorer, aln->insert_counts[i], aligned_seq) : 0;
int left_inserts = off_tot;
int right_inserts = i != aln->width-1 ?
aln->insert_counts[i] - res_tot : 0;
col_put_right(s, aln, i);
for (j = 0; j < s->fits[i]; ++j) {
assert(score_ptr-s->scores < d->seqs.maxlen+d->a.max_width);
count_residues(&s->col, aln, &d->seqs);
*score_ptr = column_score(&d->scorer, &s->col)
+ insertion_score(&d->scorer, left_inserts, aligned_seq);
if (i != aln->width-1)
*score_ptr += insertion_score(&d->scorer, right_inserts, aligned_seq)
- old_score;
if (s->col.emission_counts[s->col.alph_size])
*score_ptr = -DBL_MAX; /* forbid ambiguous residues */
add_int(s->col.positions, aln->seq_num, 1); /* add 1 to positions */
left_inserts += aligned_seq;
right_inserts -= aligned_seq;
++score_ptr;
}
}
}
/* Rotate a column out of an alignment, and repair insert counts */
void rotate_out(glam2_aln *aln, const int col) {
assert(col < aln->width);
ROL(aln->cols + col, aln->width - col, 1);
ROL(aln->insert_counts + col, aln->width - col, 1);
--aln->width;
if (col != 0)
aln->insert_counts[col-1] = count_right_insert(aln, col-1);
}
/* Rotate a column back into an alignment, and repair insert counts */
void rotate_in(glam2_aln *aln, const int col) {
++aln->width;
assert(col < aln->width);
ROR(aln->cols + col, aln->width - col, 1);
ROR(aln->insert_counts + col, aln->width - col, 1);
if (col != 0)
aln->insert_counts[col-1] = count_right_insert(aln, col-1);
aln->insert_counts[col] = count_right_insert(aln, col);
}
int pick_new_col(column_sampler *s, int match_cols, double temperature) {
const int tot_fit = sum_int(s->fits, s->width);
int r, c;
set_dbl(s->scores + tot_fit, match_cols, 0);
/*
printf("match_cols=%d tot_fit=%d scores=", match_cols, tot_fit);
for (r = 0; r < tot_fit + match_cols; ++r) printf("%.3g ", s->scores[r]);
printf("\n");
*/
r = sample(s->scores, tot_fit + match_cols, temperature);
for (c = 0; c < s->width; ++c) {
if (r < s->fits[c])
break;
r -= s->fits[c];
}
if (c < s->width)
add_int(s->offsets, s->seq_num, r);
return c;
}
void sample_left(glam2_aln *aln, data *d, const double temperature) {
column_sampler *s = &d->col_sampler;
const int del_flag = rand_dbl(1) < s->del_probs[aln->width - 1];
const int col_pick = rand_int(aln->width - 1);
int match_cols, new_col;
if (d->a.profile)
fprintf(d->out, "column sample: side=left, delete=%d, col=%d\n",
del_flag, col_pick);
get_offsets(s->offsets, aln, col_pick+1);
col_copy(&s->col, &aln->cols[col_pick]);
if (del_flag)
rotate_out(aln, col_pick); /* Remove column & decrement width */
else if (aln->width == d->a.max_width)
return;
s->width = aln->width;
left_fits(s, aln);
col_scan_left(s, aln, d);
match_cols = col_count_left(s, aln);
if (aln->width < d->a.min_width)
match_cols = 0; /* force column re-insertion */
new_col = pick_new_col(s, match_cols, temperature);
if (new_col >= s->width)
return;
col_put_left(s, aln, new_col);
count_residues(&s->col, aln, &d->seqs);
col_copy(&aln->cols[aln->width], &s->col);
rotate_in(aln, new_col);
}
void sample_right(glam2_aln *aln, data *d, const double temperature) {
column_sampler *s = &d->col_sampler;
const int del_flag = rand_dbl(1) < s->del_probs[aln->width - 1];
const int col_pick = rand_int(aln->width - 1) + 1;
int match_cols, new_col;
if (d->a.profile)
fprintf(d->out, "column sample: side=right, delete=%d, col=%d\n",
del_flag, col_pick);
get_offsets(s->offsets, aln, col_pick);
col_copy(&s->col, &aln->cols[col_pick]);
if (del_flag)
rotate_out(aln, col_pick); /* Remove column & decrement width */
else if (aln->width == d->a.max_width)
return;
s->width = aln->width;
right_fits(s, aln, &d->seqs);
col_scan_right(s, aln, d);
match_cols = col_count_right(s, aln);
if (aln->width < d->a.min_width)
match_cols = 0; /* force column re-insertion */
new_col = pick_new_col(s, match_cols, temperature);
if (new_col >= s->width)
return;
col_put_right(s, aln, new_col);
count_residues(&s->col, aln, &d->seqs);
col_copy(&aln->cols[aln->width], &s->col);
rotate_in(aln, new_col+1);
}
void column_sample(glam2_aln *aln, data *d, double temperature) {
assert(aln->width > 1); /* need at least 2 columns */
if (aln->aligned_seq == 0) /* need at least 1 aligned sequence */
return;
if (rand_int(2))
sample_left(aln, d, temperature);
else
sample_right(aln, d, temperature);
assert(aln->width >= d->a.min_width && aln->width <= d->a.max_width);
}
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