forked from soedinglab/MMseqs2
-
Notifications
You must be signed in to change notification settings - Fork 0
/
extractorfs.cpp
156 lines (133 loc) · 6 KB
/
extractorfs.cpp
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
#include "Debug.h"
#include "Parameters.h"
#include "DBReader.h"
#include "DBWriter.h"
#include "Matcher.h"
#include "Util.h"
#include "itoa.h"
#include "TranslateNucl.h"
#include "Orf.h"
#include <unistd.h>
#include <climits>
#include <algorithm>
#ifdef OPENMP
#include <omp.h>
#endif
int extractorfs(int argc, const char **argv, const Command& command) {
Parameters& par = Parameters::getInstance();
par.parseParameters(argc, argv, command, true, 0, 0);
DBReader<unsigned int> reader(par.db1.c_str(), par.db1Index.c_str(), par.threads, DBReader<unsigned int>::USE_INDEX|DBReader<unsigned int>::USE_DATA);
reader.open(DBReader<unsigned int>::NOSORT);
DBReader<unsigned int> headerReader(par.hdr1.c_str(), par.hdr1Index.c_str(), par.threads, DBReader<unsigned int>::USE_INDEX|DBReader<unsigned int>::USE_DATA);
int outputDbtype = Parameters::DBTYPE_NUCLEOTIDES;
headerReader.open(DBReader<unsigned int>::NOSORT);
if(par.translate) {
outputDbtype = Parameters::DBTYPE_AMINO_ACIDS;
}
DBWriter sequenceWriter(par.db2.c_str(), par.db2Index.c_str(), par.threads, par.compressed, outputDbtype);
sequenceWriter.open();
DBWriter headerWriter(par.hdr2.c_str(), par.hdr2Index.c_str(), par.threads, false, Parameters::DBTYPE_GENERIC_DB);
headerWriter.open();
if ((par.orfStartMode == 1) && (par.contigStartMode < 2)) {
Debug(Debug::ERROR) << "Parameter combination is illegal, orf-start-mode 1 can only go with contig-start-mode 2\n";
EXIT(EXIT_FAILURE);
}
unsigned int forwardFrames = Orf::getFrames(par.forwardFrames);
unsigned int reverseFrames = Orf::getFrames(par.reverseFrames);
const char newline = '\n';
Debug::Progress progress(reader.getSize());
TranslateNucl translateNucl(static_cast<TranslateNucl::GenCode>(par.translationTable));
#pragma omp parallel
{
Orf orf(par.translationTable, par.useAllTableStarts);
int thread_idx = 0;
#ifdef OPENMP
thread_idx = omp_get_thread_num();
#endif
size_t querySize = 0;
size_t queryFrom = 0;
reader.decomposeDomainByAminoAcid(thread_idx, par.threads, &queryFrom, &querySize);
if (querySize == 0) {
queryFrom = 0;
}
char* aa = new char[par.maxSeqLen + 3 + 1];
std::vector<Orf::SequenceLocation> res;
res.reserve(1000);
for (unsigned int i = queryFrom; i < (queryFrom + querySize); ++i){
progress.updateProgress();
unsigned int key = reader.getDbKey(i);
const char* data = reader.getData(i, thread_idx);
size_t sequenceLength = reader.getSeqLen(i);
if(!orf.setSequence(data, sequenceLength)) {
Debug(Debug::WARNING) << "Invalid sequence with index " << i << "!\n";
continue;
}
const char* header = headerReader.getData(i, thread_idx);
std::string headerAccession = Util::parseFastaHeader(header);
orf.findAll(res, par.orfMinLength, par.orfMaxLength, par.orfMaxGaps, forwardFrames, reverseFrames, par.orfStartMode);
for (std::vector<Orf::SequenceLocation>::const_iterator it = res.begin(); it != res.end(); ++it) {
Orf::SequenceLocation loc = *it;
if (par.contigStartMode < 2 && (loc.hasIncompleteStart == par.contigStartMode)) {
continue;
}
if (par.contigEndMode < 2 && (loc.hasIncompleteEnd == par.contigEndMode)) {
continue;
}
char buffer[LINE_MAX];
std::pair<const char*, size_t> sequence = orf.getSequence(loc);
size_t fromPos = loc.from;
size_t toPos = loc.to;
if(loc.strand == Orf::STRAND_MINUS){
fromPos = (sequenceLength - 1) - loc.from;
toPos = (sequenceLength - 1) - loc.to;
}
Orf::writeOrfHeader(buffer, key, fromPos, toPos, loc.hasIncompleteStart, loc.hasIncompleteEnd);
// snprintf(buffer, LINE_MAX, "%.*s [Orf: %d, %zu, %zu, %d, %d]\n", (unsigned int)(headerAccession.size()), headerAccession.c_str(),
// toPos, loc.hasIncompleteStart, loc.hasIncompleteEnd);
sequenceWriter.writeStart(thread_idx);
if(par.translate){
if ((data[sequence.second] != '\n' && sequence.second % 3 != 0) && (data[sequence.second - 1] == '\n' && (sequence.second - 1) % 3 != 0)) {
sequence.second = sequence.second - (sequence.second % 3);
}
if (sequence.second < 3) {
continue;
}
if (sequence.second > (3 * par.maxSeqLen)) {
sequence.second = (3 * par.maxSeqLen);
}
translateNucl.translate(aa, sequence.first, sequence.second);
sequenceWriter.writeAdd(aa, (sequence.second / 3), thread_idx);
}else{
sequenceWriter.writeAdd(sequence.first, sequence.second, thread_idx);
}
sequenceWriter.writeAdd(&newline, 1, thread_idx);
sequenceWriter.writeEnd(key, thread_idx);
headerWriter.writeData(buffer, strlen(buffer), key, thread_idx);
}
res.clear();
}
delete[] aa;
}
headerWriter.close(true);
sequenceWriter.close(true);
headerReader.close();
reader.close();
// make identifiers stable
#pragma omp parallel
{
#pragma omp single
{
#pragma omp task
{
DBWriter::createRenumberedDB(par.hdr2, par.hdr2Index, "");
}
#pragma omp task
{
std::string lookup = par.db1 + ".lookup";
DBWriter::createRenumberedDB(par.db2, par.db2Index, par.createLookup ? lookup : "");
}
}
}
DBReader<unsigned int>::softlinkDb(par.db1, par.db2, DBFiles::SOURCE);
return EXIT_SUCCESS;
}