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/****
DIAMOND protein aligner
Copyright (C) 2013-2017 Benjamin Buchfink <buchfink@gmail.com>
This program is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program. If not, see <http://www.gnu.org/licenses/>.
****/
#include <vector>
#include "dp.h"
#include "../util/double_buffer.h"
#include "../util/util.h"
#include "traceback.h"
#include "../output/output_format.h"
using std::vector;
using std::pair;
template<typename _score, typename _mode>
_score saturate(_score x)
{
return x;
}
template<>
int saturate<int, Local>(int x)
{
return std::max(x, 0);
}
template<typename _score,typename _mode>
void set_max_score(_score s, _score &max_score)
{
}
template<>
void set_max_score<int,Local>(int s, int &max_score)
{
max_score = std::max(max_score, s);
}
template<typename _score, typename _mode>
struct Dp_matrix
{
struct Column_iterator
{
inline Column_iterator(const pair<_score*, _score*> &score, _score* hgap, int query_len, int col) :
score_(score),
hgap_(hgap),
end_(score_.second + query_len + 1),
i_(0)
{
*score_.first = saturate<_score, _mode>(col == 0 ? 0 : -score_matrix.gap_open() - col*score_matrix.gap_extend());
++score_.second;
}
inline int row() const
{
return i_;
}
inline bool valid() const
{
return score_.second < end_;
}
inline _score& score()
{
return *score_.second;
}
inline _score diag() const
{
return *score_.first;
}
inline _score& hgap()
{
return *hgap_;
}
inline void operator++()
{
++i_;
++score_.first;
++score_.second;
++hgap_;
}
private:
pair<_score*, _score*> score_;
_score* hgap_;
const _score* const end_;
int i_;
};
inline Column_iterator column(int j)
{
return Column_iterator(score_.get(), hgap_.data(), query_len_, j);
}
inline Dp_matrix(int query_len, int subject_len) :
query_len_(query_len),
score_(TLS::get(score_ptr)),
hgap_(TLS::get(hgap_ptr))
{
score_.init(query_len + 1, subject_len + 1, 0);
hgap_.clear();
hgap_.insert(hgap_.end(), query_len, std::numeric_limits<int>::min() + score_matrix.gap_extend());
int *score = score_.last();
int g = -score_matrix.gap_open() - score_matrix.gap_extend();
for (int i = 1; i <= query_len; ++i)
score[i] = saturate<_score, _mode>(g--);
}
const Fixed_score_buffer<_score>& score_buffer() const
{
return score_;
}
private:
const int query_len_;
Fixed_score_buffer<_score> &score_;
vector<_score> &hgap_;
static TLS_PTR Fixed_score_buffer<_score> *score_ptr;
static TLS_PTR vector<_score> *hgap_ptr;
};
template<typename _score, typename _mode> TLS_PTR Fixed_score_buffer<_score>* Dp_matrix<_score,_mode>::score_ptr;
template<typename _score, typename _mode> TLS_PTR vector<_score>* Dp_matrix<_score,_mode>::hgap_ptr;
template<typename _score, typename _mode>
const Fixed_score_buffer<_score>& needleman_wunsch(sequence query, sequence subject, int &max_score, const _mode&, const _score&)
{
using std::max;
const int gap_open = score_matrix.gap_open() + score_matrix.gap_extend(), gap_extend = score_matrix.gap_extend();
int m = 0;
Dp_matrix<_score, _mode> mtx((unsigned)query.length(), (unsigned)subject.length());
for (int j = 0; j < (int)subject.length(); ++j) {
typename Dp_matrix<_score,_mode>::Column_iterator it = mtx.column(j);
_score vgap = std::numeric_limits<int>::min() + gap_extend;
for (; it.valid(); ++it) {
const _score match_score = score_matrix(subject[j], query[it.row()]);
const _score s = saturate<_score, _mode>(max(max(it.diag() + match_score, vgap), it.hgap()));
const _score open = s - gap_open;
vgap = max(vgap - gap_extend, open);
it.hgap() = max(it.hgap() - gap_extend, open);
it.score() = s;
set_max_score<_score, _mode>(s, m);
}
}
max_score = m;
return mtx.score_buffer();
}
int needleman_wunsch(sequence query, sequence subject, int qbegin, int qend, int sbegin, int send, unsigned node, unsigned edge, Diag_graph &diags, bool log)
{
const sequence q = query.subseq(qbegin, qend), s = subject.subseq(sbegin, send);
int max_score;
const Fixed_score_buffer<int> &dp = needleman_wunsch(q, s, max_score, Global(), int());
Diagonal_node *d = &diags[node];
unsigned start_node = diags.edges[edge].node_out;
vector<Diag_graph::Edge>::iterator f = diags.edges.begin() + edge;
/*if (log)
cout << dp << endl;*/
const int gap_open = score_matrix.gap_open(), gap_extend = score_matrix.gap_extend();
int l, i = qend - qbegin, j = send - sbegin;
const int score = dp(i, j);
l = have_diag(dp, i, j, q, s, log);
if (l > 0) {
i -= l;
j -= l;
f->j = sbegin + j;
}
while (i > 0 && j > 0) {
if ((l = have_diag(dp, i, j, q, s, log)) > 0) {
i -= l;
j -= l;
if (i != 0 || j != 0) {
f->node_out = (unsigned)diags.nodes.size();
diags.nodes.emplace_back(qbegin + i, sbegin + j, l, 0, (int)diags.edges.size());
}
}
else if (have_hgap(dp, i, j, gap_open, gap_extend, l)) {
j -= l;
}
else if (have_vgap(dp, i, j, gap_open, gap_extend, l)) {
i -= l;
}
else
throw std::runtime_error("Traceback error.");
}
f->node_out = start_node;
return score;
}
void smith_waterman(sequence q, sequence s, Hsp &out)
{
int max_score;
const Fixed_score_buffer<int> &dp = needleman_wunsch(q, s, max_score, Local(), int());
pair<int, int> max_pos = dp.find(max_score);
const int gap_open = score_matrix.gap_open(), gap_extend = score_matrix.gap_extend();
int l, i = max_pos.first, j = max_pos.second, score;
out.clear();
out.score = dp(i, j);
out.query_range.end_ = i;
out.subject_range.end_ = j;
while ((score = dp(i, j)) > 0) {
const int match_score = score_matrix(q[i - 1], s[j - 1]);
if (score == match_score + dp(i - 1, j - 1)) {
if (q[i - 1] == s[j - 1]) {
out.transcript.push_back(op_match);
++out.identities;
}
else {
out.transcript.push_back(op_substitution, s[j - 1]);
}
--i;
--j;
++out.length;
}
else if (have_hgap(dp, i, j, gap_open, gap_extend, l)) {
for (; l > 0; l--) {
out.transcript.push_back(op_deletion, s[--j]);
++out.length;
}
}
else if (have_vgap(dp, i, j, gap_open, gap_extend, l)) {
out.transcript.push_back(op_insertion, (unsigned)l);
out.length += l;
i -= l;
}
else
throw std::runtime_error("Traceback error.");
}
out.query_range.begin_ = i;
out.subject_range.begin_ = j;
out.query_source_range = out.query_range;
out.transcript.reverse();
out.transcript.push_terminator();
}
void print_diag(int i0, int j0, int l, int score, const Diag_graph &diags, const sequence &query, const sequence &subject)
{
Diagonal_segment ds(i0, j0, l, 0);
unsigned n = 0;
int path_max,path_min;
for (vector<Diagonal_node>::const_iterator d = diags.nodes.begin(); d != diags.nodes.end(); ++d) {
if (d->intersect(ds).len > 0) {
if (d->score == 0)
continue;
const int diff = score_range(query, subject, d->query_end(), d->subject_end(), j0 + l);
if (n > 0)
cout << "(";
cout << "Diag n=" << d - diags.nodes.begin() << " i=" << i0 << " j=" << j0 << " len=" << l
<< " prefix_score=" << score + score_range(query, subject, i0 + l, j0 + l, d->subject_end()) - std::min(diff, 0)
<< " prefix_score2=" << diags.prefix_score((unsigned)(d - diags.nodes.begin()), j0 + l, path_max,path_min);
if (n > 0)
cout << ")";
cout << endl;
++n;
}
}
if(n == 0)
cout << "Diag n=x i=" << i0 << " j=" << j0 << " len=" << l << " prefix_score=" << score << endl;
}
void smith_waterman(sequence q, sequence s, const Diag_graph &diags)
{
Hsp hsp;
smith_waterman(q, s, hsp);
Hsp::Iterator i = hsp.begin();
int i0 = -1, j0 = -1, l = 0, score = 0;
for (; i.good(); ++i) {
switch (i.op()) {
case op_match:
case op_substitution:
if (i0 < 0) {
i0 = i.query_pos.translated;
j0 = i.subject_pos;
l = 0;
}
score += score_matrix(q[i.query_pos.translated], s[i.subject_pos]);
++l;
break;
case op_deletion:
case op_insertion:
if (i0 >= 0) {
print_diag(i0, j0, l, score, diags, q, s);
score -= score_matrix.gap_open() + score_matrix.gap_extend();
i0 = -1;
j0 = -1;
}
else
score -= score_matrix.gap_extend();
break;
case op_frameshift_forward:
case op_frameshift_reverse:
;
}
}
print_diag(i0, j0, l, score, diags, q, s);
print_hsp(hsp, TranslatedSequence(q));
}
template Fixed_score_buffer<int> const& needleman_wunsch<int, Local>(sequence, sequence, int&, Local const&, int const&);
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