File: blastsearch.cpp

package info (click to toggle)
bandage 0.9.0-2
  • links: PTS, VCS
  • area: main
  • in suites: bookworm, forky, sid, trixie
  • size: 15,684 kB
  • sloc: cpp: 45,359; sh: 491; makefile: 12
file content (375 lines) | stat: -rw-r--r-- 12,853 bytes parent folder | download
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
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
//Copyright 2017 Ryan Wick

//This file is part of Bandage

//Bandage 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.

//Bandage 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 Bandage.  If not, see <http://www.gnu.org/licenses/>.


#include "blastsearch.h"
#include "../graph/assemblygraph.h"
#include <QDir>
#include <QRegularExpression>
#include "buildblastdatabaseworker.h"
#include "runblastsearchworker.h"
#include "../program/settings.h"
#include <QApplication>
#include "../graph/debruijnnode.h"
#include "../program/memory.h"
#include <math.h>

BlastSearch::BlastSearch() :
    m_blastQueries(), m_tempDirectory("bandage_temp/")
{
}

BlastSearch::~BlastSearch()
{
    cleanUp();
}

void BlastSearch::clearBlastHits()
{
    m_allHits.clear();
    m_blastQueries.clearSearchResults();
    m_blastOutput = "";
}

void BlastSearch::cleanUp()
{
    clearBlastHits();
    m_blastQueries.clearAllQueries();
    emptyTempDirectory();
}

//This function uses the contents of m_blastOutput (the raw output from the
//BLAST search) to construct the BlastHit objects.
//It looks at the filters to possibly exclude hits which fail to meet user-
//defined thresholds.
void BlastSearch::buildHitsFromBlastOutput()
{
    QStringList blastHitList = m_blastOutput.split("\n", Qt::SkipEmptyParts);

    for (int i = 0; i < blastHitList.size(); ++i)
    {
        QString hitString = blastHitList[i];
        QStringList alignmentParts = hitString.split('\t');

        if (alignmentParts.size() < 12)
            continue;

        QString queryName = alignmentParts[0];
        QString nodeLabel = alignmentParts[1];
        double percentIdentity = alignmentParts[2].toDouble();
        int alignmentLength = alignmentParts[3].toInt();
        int numberMismatches = alignmentParts[4].toInt();
        int numberGapOpens = alignmentParts[5].toInt();
        int queryStart = alignmentParts[6].toInt();
        int queryEnd = alignmentParts[7].toInt();
        int nodeStart = alignmentParts[8].toInt();
        int nodeEnd = alignmentParts[9].toInt();
        SciNot eValue(alignmentParts[10]);
        double bitScore = alignmentParts[11].toDouble();

        //Only save BLAST hits that are on forward strands.
        if (nodeStart > nodeEnd)
            continue;

        QString nodeName = getNodeNameFromString(nodeLabel);
        DeBruijnNode * node;
        if (g_assemblyGraph->m_deBruijnGraphNodes.contains(nodeName))
            node = g_assemblyGraph->m_deBruijnGraphNodes[nodeName];
        else
            continue;

        BlastQuery * query = g_blastSearch->m_blastQueries.getQueryFromName(queryName);
        if (query == 0)
            continue;

        QSharedPointer<BlastHit> hit(new BlastHit(query, node, percentIdentity, alignmentLength,
                                                  numberMismatches, numberGapOpens, queryStart, queryEnd,
                                                  nodeStart, nodeEnd, eValue, bitScore));

        //Check the user-defined filters.
        if (g_settings->blastAlignmentLengthFilter.on &&
                alignmentLength < g_settings->blastAlignmentLengthFilter)
            continue;
        if (g_settings->blastQueryCoverageFilter.on)
        {
            double hitCoveragePercentage = 100.0 * hit->getQueryCoverageFraction();
            if (hitCoveragePercentage < g_settings->blastQueryCoverageFilter)
                continue;
        }
        if (g_settings->blastIdentityFilter.on &&
                percentIdentity < g_settings->blastIdentityFilter)
            continue;
        if (g_settings->blastEValueFilter.on &&
                eValue > g_settings->blastEValueFilter)
                continue;
        if (g_settings->blastBitScoreFilter.on &&
                bitScore < g_settings->blastBitScoreFilter)
            continue;

        m_allHits.push_back(hit);
        query->addHit(hit);
    }
}


//This function looks at each BLAST query and tries to find a path through
//the graph which covers the maximal amount of the query.
void BlastSearch::findQueryPaths()
{
    m_blastQueries.findQueryPaths();
}



QString BlastSearch::getNodeNameFromString(QString nodeString)
{
    QStringList nodeStringParts = nodeString.split("_");

    //The node string format should look like this:
    //NODE_nodename_length_123_cov_1.23

    if (nodeStringParts.size() < 6)
        return "";

    if (nodeStringParts.size() == 6)
        return nodeStringParts[1];

    //If the code got here, there are more than 6 parts.  This means there are
    //underscores in the node name (happens a lot with Trinity graphs).  So we
    //need to pull out the parts which consitute the name.
    int underscoreCount = nodeStringParts.size() - 6;
    QString nodeName = "";
    for (int i = 0; i <= underscoreCount; ++i)
    {
        nodeName += nodeStringParts[1+i];
        if (i < underscoreCount)
            nodeName += "_";
    }
    return nodeName;
}


#ifdef Q_OS_WIN32
//On Windows, we use the WHERE command to find a program.
bool BlastSearch::findProgram(QString programName, QString * command)
{
    QProcess find;
    find.start("WHERE", QStringList(programName));
    find.waitForFinished();
    *command = programName;
    return (find.exitCode() == 0);
}

#else
//On Mac/Linux we use the which command to find a program.
bool BlastSearch::findProgram(QString programName, QString * command)
{
    QProcess find;

    //On Mac, it's necessary to adjust the PATH variable in order
    //for which to work.
#ifdef Q_OS_MAC
    QProcessEnvironment env = QProcessEnvironment::systemEnvironment();
    QStringList envlist = env.toStringList();

    //Add some paths to the process environment
    envlist.replaceInStrings(QRegularExpression("^(?i)PATH=(.*)"), "PATH="
                                                                   "/usr/bin:"
                                                                   "/bin:"
                                                                   "/usr/sbin:"
                                                                   "/sbin:"
                                                                   "/opt/local/bin:"
                                                                   "/usr/local/bin:"
                                                                   "/opt/homebrew/bin:"
                                                                   "$HOME/bin:"
                                                                   "$HOME/.local/bin:"
                                                                   "$HOME/miniconda3/bin:"
                                                                   "/usr/local/ncbi/blast/bin:"
                                                                   "\\1");
    find.setEnvironment(envlist);
#endif

    find.start("which", QStringList(programName));
    find.waitForFinished();

    //On a Mac, we need to use the full path to the program.
#ifdef Q_OS_MAC
    *command = QString(find.readAll()).simplified();
#else
    *command = programName;
#endif

    return (find.exitCode() == 0);
}
#endif



void BlastSearch::clearSomeQueries(std::vector<BlastQuery *> queriesToRemove)
{
    //Remove any hits that are for queries that will be deleted.
    QList< QSharedPointer<BlastHit> >::iterator i = m_allHits.begin();
    while (i != m_allHits.end())
    {
        BlastQuery * hitQuery = (*i)->m_query;
        bool hitIsForDeletedQuery = (std::find(queriesToRemove.begin(), queriesToRemove.end(), hitQuery) != queriesToRemove.end());
        if (hitIsForDeletedQuery)
            i = m_allHits.erase(i);
        else
            ++i;
    }

    //Now actually delete the queries.
    m_blastQueries.clearSomeQueries(queriesToRemove);
}



void BlastSearch::emptyTempDirectory()
{
    //Safety checks
    if (g_blastSearch->m_tempDirectory == "")
        return;
    if (!g_blastSearch->m_tempDirectory.contains("bandage_temp"))
        return;

    QDir tempDirectory(m_tempDirectory);
    tempDirectory.setNameFilters(QStringList() << "*.*");
    tempDirectory.setFilter(QDir::Files);
    foreach(QString dirFile, tempDirectory.entryList())
        tempDirectory.remove(dirFile);
}


//This function carries out the entire BLAST search procedure automatically, without user input.
//It returns an error string which is empty if all goes well.
QString BlastSearch::doAutoBlastSearch()
{
    cleanUp();

    QString makeblastdbCommand;
    if (!findProgram("makeblastdb", &makeblastdbCommand))
        return "Error: The program makeblastdb was not found.  Please install NCBI BLAST to use this feature.";

    BuildBlastDatabaseWorker buildBlastDatabaseWorker(makeblastdbCommand);
    buildBlastDatabaseWorker.buildBlastDatabase();
    if (buildBlastDatabaseWorker.m_error != "")
        return buildBlastDatabaseWorker.m_error;

    loadBlastQueriesFromFastaFile(g_settings->blastQueryFilename);

    QString blastnCommand;
    if (!findProgram("blastn", &blastnCommand))
        return "Error: The program blastn was not found.  Please install NCBI BLAST to use this feature.";
    QString tblastnCommand;
    if (!findProgram("tblastn", &tblastnCommand))
        return "Error: The program tblastn was not found.  Please install NCBI BLAST to use this feature.";

    RunBlastSearchWorker runBlastSearchWorker(blastnCommand, tblastnCommand, g_settings->blastSearchParameters);
    runBlastSearchWorker.runBlastSearch();
    if (runBlastSearchWorker.m_error != "")
        return runBlastSearchWorker.m_error;

    blastQueryChanged("all");

    return "";
}


//This function returns the number of queries loaded from the FASTA file.
int BlastSearch::loadBlastQueriesFromFastaFile(QString fullFileName)
{
    int queriesBefore = int(g_blastSearch->m_blastQueries.m_queries.size());

    std::vector<QString> queryNames;
    std::vector<QByteArray> querySequences;
    AssemblyGraph::readFastaOrFastqFile(fullFileName, &queryNames, &querySequences);

    for (size_t i = 0; i < queryNames.size(); ++i)
    {
        QApplication::processEvents();

        //We only use the part of the query name up to the first space.
        QStringList queryNameParts = queryNames[i].split(" ");
        QString queryName;
        if (queryNameParts.size() > 0)
            queryName = cleanQueryName(queryNameParts[0]);

        g_blastSearch->m_blastQueries.addQuery(new BlastQuery(queryName,
                                                              querySequences[i]));
    }

    int queriesAfter = int(g_blastSearch->m_blastQueries.m_queries.size());
    return queriesAfter - queriesBefore;
}


QString BlastSearch::cleanQueryName(QString queryName)
{
    //Replace whitespace with underscores
    queryName = queryName.replace(QRegularExpression("\\s"), "_");

    //Remove any dots from the end of the query name.  BLAST doesn't
    //include them in its results, so if we don't remove them, then
    //we won't be able to find a match between the query name and
    //the BLAST hit.
    while (queryName.length() > 0 && queryName[queryName.size() - 1] == '.')
        queryName = queryName.left(queryName.size() - 1);

    return queryName;
}

void BlastSearch::blastQueryChanged(QString queryName)
{
    g_assemblyGraph->clearAllBlastHitPointers();

    std::vector<BlastQuery *> queries;

    //If "all" is selected, then we'll display each of the BLAST queries
    if (queryName == "all")
        queries = g_blastSearch->m_blastQueries.m_queries;

    //If only one query is selected, then just display that one.
    else
    {
        BlastQuery * query = g_blastSearch->m_blastQueries.getQueryFromName(queryName);
        if (query != 0)
            queries.push_back(query);
    }

    //We now filter out any queries that have been hidden by the user.
    std::vector<BlastQuery *> shownQueries;
    for (size_t i = 0; i < queries.size(); ++i)
    {
        BlastQuery * query = queries[i];
        if (query->isShown())
            shownQueries.push_back(query);
    }

    //Add the blast hit pointers to nodes that have a hit for
    //the selected target(s).
    for (size_t i = 0; i < shownQueries.size(); ++i)
    {
        BlastQuery * query = shownQueries[i];
        for (int j = 0; j < g_blastSearch->m_allHits.size(); ++j)
        {
            BlastHit * hit = g_blastSearch->m_allHits[j].data();
            if (hit->m_query == query)
                hit->m_node->addBlastHit(hit);
        }
    }
}