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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464
|
// ==========================================================================
// SeqAn - The Library for Sequence Analysis
// ==========================================================================
// Copyright (c) 2006-2026, Knut Reinert, FU Berlin
// All rights reserved.
//
// Redistribution and use in source and binary forms, with or without
// modification, are permitted provided that the following conditions are met:
//
// * Redistributions of source code must retain the above copyright
// notice, this list of conditions and the following disclaimer.
// * Redistributions in binary form must reproduce the above copyright
// notice, this list of conditions and the following disclaimer in the
// documentation and/or other materials provided with the distribution.
// * Neither the name of Knut Reinert or the FU Berlin nor the names of
// its contributors may be used to endorse or promote products derived
// from this software without specific prior written permission.
//
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
// ARE DISCLAIMED. IN NO EVENT SHALL KNUT REINERT OR THE FU BERLIN BE LIABLE
// FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
// DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
// SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
// CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT
// LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY
// OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH
// DAMAGE.
//
// ==========================================================================
// Author: Hannes Hauswedell <hannes.hauswedell@fu-berlin.de>
// ==========================================================================
// Module for handling NCBI Blast I/O and E-Value computation
// ==========================================================================
#ifndef SEQAN_EXTRAS_BLAST_BLAST_RECORD_H_
#define SEQAN_EXTRAS_BLAST_BLAST_RECORD_H_
namespace seqan2
{
/*!
* @class BlastMatch
* @implements AssignableConcept
* @implements CopyConstructibleConcept
* @implements DefaultConstructibleConcept
* @implements EqualityComparableConcept
* @implements LessThanComparableConcept
* @headerfile <seqan/blast.h>
* @signature struct BlastMatch<TAlign, TPos, TQId, TSId> { ... };
* @brief An data structure to hold a blast match, also known as high-scoring segment pair (HSP)
*
* You should set the following members manually: @link BlastMatch::qId @endlink, @link BlastMatch::sId @endlink,
* @link BlastMatch::qLength @endlink, @link BlastMatch::sLength @endlink,
* @link BlastMatch::qFrameShift @endlink and @link BlastMatch::sFrameShift @endlink.
*
* If you then also set valid alignRow-members (@link BlastMatch::alignRow0 @endlink,
* @link BlastMatch::alignRow1 @endlink), you can let the other members be computed by
* @link BlastMatch#computeAlignmentStats @endlink and
* @link BlastMatch#computeBitScore @endlink, @link BlastMatch#computeEValue @endlink.
*
* @tparam TAlignRow0 Type of the first alignment row, usually @link Gaps @endlink
* @tparam TAlignRow1 Type of the second alignment row, usually @link Gaps @endlink
* @tparam TPos Position type of the sequences, defaults to <tt>uint32_t</tt>
* @tparam TQId Type of qId, defaults to <tt>std::string</tt>
* @tparam TSId Type of sId, defaults to <tt>std::string</tt>
* @tparam TSAccs Type of sAccs, defaults to <tt>std::vector</tt> of <tt>std::string</tt>
* @tparam TSTaxIds Type of sTaxIds, defaults to @link String @endlink of <tt>uint32_t</tt>
*/
template <typename TAlignRow0_ = Gaps<CharString, ArrayGaps>,
typename TAlignRow1_ = Gaps<CharString, ArrayGaps>,
typename TPos_ = uint32_t,
typename TQId_ = std::string,
typename TSId_ = std::string,
typename TSAccs_ = std::vector<std::string>,
typename TSTaxIds_ = String<uint32_t>>
struct BlastMatch
{
typedef TAlignRow0_ TAlignRow0;
typedef TAlignRow1_ TAlignRow1;
typedef TPos_ TPos;
typedef TQId_ TQId;
typedef TSId_ TSId;
typedef TSAccs_ TSAccs;
typedef TSTaxIds_ TSTaxIds;
// internal use numerical ids
uint32_t _n_qId;
uint32_t _n_sId;
/*!
* @var TQId BlastMatch::qId;
* @brief The verbose Id of the query.
* @deprecated Use @link BlastRecord::qId @endlink instead.
*
* @var TSId BlastMatch::sId;
* @brief The verbose Id of the subject.
*/
TQId qId; // deprecated but can't be marked as such, since still supported/used
TSId sId;
/*!
* @var TSId BlastMatch::sAccs;
* @brief The Accession number(s) of the subject.
*/
TSAccs sAccs;
/*!
* @var TSId BlastMatch::sTaxIds;
* @brief The taxonomic ID(s) of the subject.
*/
TSTaxIds sTaxIds;
/*!
* @var TPos BlastMatch::qStart;
* @brief The start of the alignment on the (possibly translated) query sequence.
*
* @var TPos BlastMatch::qEnd;
* @brief The end of the alignment on the (possibly translated) query sequence.
*
* @var TPos BlastMatch::sStart;
* @brief The start of the alignment on the (possibly translated) subject sequence.
*
* @var TPos BlastMatch::sEnd;
* @brief The end of the alignment on the (possibly translated) subject sequence.
*/
TPos qStart = 0;
TPos qEnd = 0;
TPos sStart = 0;
TPos sEnd = 0;
/*!
* @var TPos BlastMatch::qLength;
* @brief The length of the original query sequence (possibly before translation).
* @deprecated Use @link BlastRecord::qLength @endlink instead.
*
* @var TPos BlastMatch::sLength;
* @brief The length of the original subject sequence (possibly before translation).
*/
TPos qLength = 0; // deprecated but can't be marked as such, since still supported/used
TPos sLength = 0;
/*!
* @var char BlastMatch::qFrameShift;
* @brief An indicator for query frame and query strand.
*
* one out of { -3, -2, -1, +1, +2, +3 } where the <tt>absolute value - 1</tt> is
* the shift of the translation frame and a negative sign indicates the reverse
* complement strand [query sequence, only applies for BlastFormatProgram ==
* BLASTX | TBLASTX]; -1 implies reverse complement for BLASTN.
*
* @var char BlastMatch::sFrameShift;
* @brief An indicator for subject frame and subject strand.
*
* one out of { -3, -2, -1, +1, +2, +3 } where the <tt>absolute value - 1</tt> is
* the shift of the translation frame and a negative sign indicates the reverse
* complement strand [subject sequence, only applies for BlastFormatProgram ==
* TBLASTN | TBLASTX].
*/
int8_t qFrameShift = 1;
int8_t sFrameShift = 1;
/*!
* @var double BlastMatch::eValue;
* @brief The e-value of the alignment.
*
* @var double BlastMatch::bitScore;
* @brief The bit-score of the alignment.
*/
double eValue = 0;
double bitScore = 0;
/*!
* @var AlignmentStats BlastMatch::alignStats
* @brief An @link AlignmentStats @endlink object holding further stats of the alignment.
*/
AlignmentStats alignStats;
/*!
* @var TAlign BlastMatch::alignRow0;
* @brief First alignment row (@link Gaps @endlink object).
*
* @var TAlign BlastMatch::alignRow1;
* @brief Second alignment row (@link Gaps @endlink object).
*/
TAlignRow0 alignRow0;
TAlignRow1 alignRow1;
/*!
* @fn BlastMatch::BlastMatch()
* @brief Constructor, can be called with arguments for qId and sId.
* @signature BlastMatch::BlastMatch()
* BlastMatch::BlastMatch(sId)
* BlastMatch::BlastMatch(qId, sId) [deprecated]
*/
BlastMatch() :
qId(TQId()), sId(TSId())
{}
[[deprecated("Only pass sId to the constructor")]]
BlastMatch(TQId const & _qId, TSId const & _sId) :
qId(_qId), sId(_sId)
{}
[[deprecated("Only pass sId to the constructor")]]
BlastMatch(TQId && _qId, TSId && _sId) :
qId(std::move(_qId)), sId(std::move(_sId))
{}
BlastMatch(TSId const & _sId) :
sId(_sId)
{}
BlastMatch(TSId && _sId) :
sId(std::move(_sId))
{}
inline bool operator==(BlastMatch const & bm2) const
{
return std::tie(qId,
sId,
qStart,
qEnd,
sStart,
sEnd,
qLength,
sLength,
// gaps too expensive too to compare
qFrameShift,
sFrameShift
// alignStats
// scores have rounding errors
// eValue,
// bitScore
)
== std::tie(bm2.qId,
bm2.sId,
bm2.qStart,
bm2.qEnd,
bm2.sStart,
bm2.sEnd,
bm2.qLength,
bm2.sLength,
// gaps too expensive too to compare
bm2.qFrameShift,
bm2.sFrameShift
// bm2.alignStats
// scores have rounding errors
// bm2.eValue,
// bm2.bitScore
);
}
// copy, move and assign implicitly
/*!
* @fn BlastMatch::operator<
* @brief The comparison operator (for sorting by bit-score).
* @signature bool BlastMatch::operator< (BlastMatch const & bm2) const
*
* To facilitate fast sorting of matches in a @link BlastRecord @endlink, only the bit-score is compared. Also
* large bit-score are sorted to front (i.e. operator< on BlastMatch checks operator>= on the bitScores).
*/
inline bool operator< (BlastMatch const & bm2) const
{
return (bitScore >= bm2.bitScore);
}
inline void _clear()
{
clear(qId);
clear(sId);
clear(sAccs);
clear(sTaxIds);
qStart = 0;
qEnd = 0;
sStart = 0;
sEnd = 0;
qLength = 0;
sLength = 0;
eValue = 0;
bitScore = 0;
qFrameShift = 1;
sFrameShift = 1;
clear(alignStats);
clear(alignRow0);
clear(alignRow1);
}
inline void _maxInitialize()
{
qId = "not init";
sId = "not init";
clear(sAccs);
clear(sTaxIds);
qStart = std::numeric_limits<TPos>::max();
qEnd = std::numeric_limits<TPos>::max();
sStart = std::numeric_limits<TPos>::max();
sEnd = std::numeric_limits<TPos>::max();
qLength = std::numeric_limits<TPos>::max();
sLength = std::numeric_limits<TPos>::max();
eValue = std::numeric_limits<double>::max();
bitScore = std::numeric_limits<double>::max();
qFrameShift = std::numeric_limits<int8_t>::max();
sFrameShift = std::numeric_limits<int8_t>::max();
alignStats.numGaps = std::numeric_limits<unsigned>::max();
alignStats.numGapOpens = std::numeric_limits<unsigned>::max();
alignStats.numGapExtensions = std::numeric_limits<unsigned>::max();
alignStats.numInsertions = std::numeric_limits<unsigned>::max();
alignStats.numDeletions = std::numeric_limits<unsigned>::max();
alignStats.numMatches = std::numeric_limits<unsigned>::max();
alignStats.numMismatches = std::numeric_limits<unsigned>::max();
alignStats.numPositiveScores = std::numeric_limits<unsigned>::max();
alignStats.numNegativeScores = std::numeric_limits<unsigned>::max();
alignStats.alignmentLength = std::numeric_limits<unsigned>::max();
alignStats.alignmentSimilarity = std::numeric_limits<float>::max();
alignStats.alignmentIdentity = std::numeric_limits<float>::max();
alignStats.alignmentScore = std::numeric_limits<unsigned>::max();
clear(alignRow0);
clear(alignRow1);
}
};
inline bool
_memberIsSet(CharString const & in)
{
return (in != "not init");
}
template <typename TNumber>
inline SEQAN_FUNC_ENABLE_IF(Is<NumberConcept<TNumber> >, bool)
_memberIsSet(TNumber const & in)
{
return (in != std::numeric_limits<TNumber>::max());
}
template <typename TAlignRow0,
typename TAlignRow1,
typename TPos,
typename TQId,
typename TSId>
inline void
clear(BlastMatch<TAlignRow0, TAlignRow1, TPos, TQId, TSId> & match)
{
match._clear();
}
/*!
* @class BlastRecord
* @implements FormattedFileRecordConcept
* @headerfile <seqan/blast.h>
* @signature struct BlastRecord<TMatch, ...> { ... };
* @brief A record of blast-matches (belonging to one query).
*
* @tparam TMatch Specialization of @link BlastMatch @endlink
* @tparam TQID Type of @link BlastRecord::qId @endlink, defaults to TMatch::TQId
* @tparam TQAccs Type of @link BlastRecord::qAccs @endlink, defaults to <tt>std::vector</tt> of <tt>std::string</tt>
* @tparam TLcaId Type of @link BlastRecord::lcaId @endlink, defaults to <tt>std::string</tt>
* @tparam TLcaTaxId Type of @link BlastRecord::lcaTaxId @endlink, defaults to <tt>uint32_t</tt>
*/
template <typename TBlastMatch_ = BlastMatch<>,
typename TQId_ = typename TBlastMatch_::TQId,
typename TQAccs_ = std::vector<std::string>,
typename TLcaId_ = std::string,
typename TLcaTaxId_ = uint32_t>
struct BlastRecord
{
typedef TQId_ TQId;
typedef TQAccs_ TQAccs;
typedef TLcaId_ TLcaId;
typedef TLcaTaxId_ TLcaTaxId;
/*!
* @typedef BlastRecord::TBlastMatch
* @signature typedef TBlastMatch_ TBlastMatch;
* @brief type of the contained matches
*/
typedef TBlastMatch_ TBlastMatch;
typedef typename TBlastMatch::TPos TPos;
/*!
* @var TQId BlastRecord::qId;
* @brief verbose Id of the query
*/
TQId qId;
/*!
* @var TPos BlastRecord::qLength;
* @brief length of the query sequence
*/
TPos qLength = 0;
/*!
* @var TQId BlastRecord::qAccs;
* @brief The Accession number(s) of the query.
*/
TQAccs qAccs;
/*!
* @var std::list<TBlastMatch> BlastRecord::matches;
* @brief list of the contained matches
*/
std::list<TBlastMatch> matches;
/*!
* @var TPos BlastRecord::lcaId;
* @brief String identifier (e.g. scientific name) of the lowest common ancestor of all matches.
*/
TLcaId lcaId;
/*!
* @var TPos BlastRecord::lcaTaxId;
* @brief Numeric taxonomic identifier of the lowest common ancestor of all matches.
*/
TLcaTaxId lcaTaxId = 0;
/*!
* @fn BlastRecord::BlastRecord()
* @brief constructor, can be passed the qId
* @signature BlastRecord::BlastRecord()
* BlastRecord::BlastRecord(qid)
*/
BlastRecord() :
qId(TQId())
{}
BlastRecord(TQId const & _qId) :
qId(_qId)
{}
BlastRecord(TQId && _qId) :
qId(std::move(_qId))
{}
// copy, move and assign implicitly
};
template <typename ... TSpecs>
inline void
clear(BlastRecord<TSpecs...> & blastRecord)
{
clear(blastRecord.qId);
blastRecord.qLength = 0;
clear(blastRecord.qAccs);
clear(blastRecord.matches);
clear(blastRecord.lcaId);
blastRecord.lcaTaxId = 0;
}
}
#endif // SEQAN_EXTRAS_BLAST_BLAST_RECORD_H_
|