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NCBI C++ ToolKit: src/algo/blast/unit_tests/api/psiblast_unit_test.cpp Source File

33 #define NCBI_TEST_APPLICATION 73 #define STATIC_ARRAY_SIZE(array) (sizeof(array)/sizeof(*array)) 75 using namespace ncbi

;

92  const string

kSeqEntryFile(

"data/7450545.seqentry.asn"

);

93

m_SeqEntry = TestUtil::ReadObject<CSeq_entry>(kSeqEntryFile);

97

BOOST_REQUIRE(m_Pssm &&

105  const string

kPssmFile(

"data/pssm_freq_ratios.asn"

);

106

m_Pssm = TestUtil::ReadObject<CPssmWithParameters>(kPssmFile);

119

x_ReadPssmFromFile();

123

x_ReadSeqEntriesFromFile();

127

m_OptHandle.

Reset

();

130

m_SeqEntry.

Reset

();

140  const CSeq_id

& seqid = (*itr)->GetSeq_id(1);

143  if

(new_gi != last_gi)

149  else if

( !seqid.

Equals

(last_id) ) {

165

subjects.push_back(ssl);

179

subjects.push_back(ssl);

207

m_OptHandle->SetEvalueThreshold(1.5);

211  CPsiBlast

psiblast(query_factory, dbadapter, m_OptHandle);

214

BOOST_REQUIRE(

results

[0].GetErrors().empty());

216  const int

kNumExpectedMatchingSeqs = 3;

219

BOOST_REQUIRE_EQUAL(kNumExpectedMatchingSeqs, s_CountNumberUniqueGIs(sas));

221  const size_t

kNumExpectedHSPs = 3;

225

expected_results[0].score = 64;

226

expected_results[0].evalue = 2.46806e-1;

227

expected_results[0].bit_score = 292610051e-7;

228

expected_results[0].num_ident = 18;

229

expected_results[0].starts.push_back(34);

230

expected_results[0].starts.push_back(95);

231

expected_results[0].lengths.push_back(53);

235  int

starts[] = { 203, 280, 220, -1, 226, 297, 258, -1, 265, 329 };

236  int

lengths[] = { 17, 6, 32, 7, 39 };

237

expected_results[1].score = 63;

238

expected_results[1].evalue = 3.48342e-1;

239

expected_results[1].bit_score = 288758055e-7;

240

expected_results[1].num_ident = 24;

242

back_inserter(expected_results[1].starts));

244

back_inserter(expected_results[1].lengths));

249  int

starts[] = { 180, 97, 204, -1, 205, 121, -1, 127, 211, 128,

250

241, -1, 242, 158, -1, 197, 281, 201, 306, -1, 318, 226, 323,

252  int

lengths[] = { 24, 1, 6, 1, 30, 1, 39, 4, 25, 12, 5, 4, 35 };

253

expected_results[2].score = 60;

254

expected_results[2].evalue = 7.36231e-1;

255

expected_results[2].bit_score = 277202068e-7;

256

expected_results[2].num_ident = 42;

258

back_inserter(expected_results[2].starts));

260

back_inserter(expected_results[2].lengths));

284

qa::CSeqAlignCmpOpts opts;

285

qa::CSeqAlignCmp

cmp

(expected_results, actual_results, opts);

287  bool

identical_results =

cmp

.Run(&errors);

289

BOOST_REQUIRE_MESSAGE(identical_results, errors);

297  CPsiBlast

psiblast(query_factory, dbadapter, m_OptHandle);

300

BOOST_REQUIRE(

results

[0].GetErrors().empty());

302  const int

kNumExpectedMatchingSeqs = 4;

305

BOOST_REQUIRE_EQUAL(kNumExpectedMatchingSeqs, s_CountNumberUniqueGIs(sas));

307  const size_t

kNumExpectedHSPs = 4;

311

expected_results[0].score = 63;

312

expected_results[0].evalue = 2.96035e-1;

313

expected_results[0].bit_score = 288758056e-7;

314

expected_results[0].starts.push_back(34);

315

expected_results[0].starts.push_back(95);

316

expected_results[0].lengths.push_back(53);

317

expected_results[0].num_ident = 18;

320

expected_results[1].score = 59;

321

expected_results[1].evalue = 9.29330e-1;

322

expected_results[1].bit_score = 273350073e-7;

323

expected_results[1].starts.push_back(203);

324

expected_results[1].starts.push_back(280);

325

expected_results[1].starts.push_back(220);

326

expected_results[1].starts.push_back(-1);

327

expected_results[1].starts.push_back(226);

328

expected_results[1].starts.push_back(297);

329

expected_results[1].starts.push_back(258);

330

expected_results[1].starts.push_back(-1);

331

expected_results[1].starts.push_back(265);

332

expected_results[1].starts.push_back(329);

333

expected_results[1].lengths.push_back(17);

334

expected_results[1].lengths.push_back(6);

335

expected_results[1].lengths.push_back(32);

336

expected_results[1].lengths.push_back(7);

337

expected_results[1].lengths.push_back(39);

338

expected_results[1].num_ident = 24;

341

expected_results[2].score = 52;

342

expected_results[2].evalue = 6.67208;

343

expected_results[2].bit_score = 246386102e-7;

344

expected_results[2].starts.push_back(322);

345

expected_results[2].starts.push_back(46);

346

expected_results[2].lengths.push_back(28);

347

expected_results[2].num_ident = 10;

351

expected_results[3].score = 50;

352

expected_results[3].evalue = 6.81719;

353

expected_results[3].bit_score = 23.8682;

354

expected_results[3].starts.push_back(295);

355

expected_results[3].starts.push_back(23);

356

expected_results[3].starts.push_back(301);

357

expected_results[3].starts.push_back(-1);

358

expected_results[3].starts.push_back(304);

359

expected_results[3].starts.push_back(29);

360

expected_results[3].lengths.push_back(6);

361

expected_results[3].lengths.push_back(3);

362

expected_results[3].lengths.push_back(23);

363

expected_results[3].num_ident = 16;

368

qa::CSeqAlignCmpOpts opts;

369

qa::CSeqAlignCmp

cmp

(expected_results, actual_results, opts);

371  bool

identical_results =

cmp

.Run(&errors);

373

BOOST_REQUIRE_MESSAGE(identical_results, errors);

378

m_OptHandle->SetEvalueThreshold(5.0);

382  CPsiBlast

psiblast(query_factory, dbadapter, m_OptHandle);

385

BOOST_REQUIRE(

results

[0].GetErrors().empty());

387  const int

kNumExpectedMatchingSeqs = 3;

390

BOOST_REQUIRE_EQUAL(kNumExpectedMatchingSeqs, s_CountNumberUniqueGIs(sas));

392  const size_t

kNumExpectedHSPs = 3;

396

expected_results[0].score = 59;

397

expected_results[0].evalue = 8.66100e-1;

398

expected_results[0].bit_score = 273350073e-7;

399

expected_results[0].starts.push_back(34);

400

expected_results[0].starts.push_back(95);

401

expected_results[0].lengths.push_back(53);

402

expected_results[0].sequence_gis.SetQuery(7450545);

403

expected_results[0].sequence_gis.SetSubject(22982149);

404

expected_results[0].num_ident = 18;

408  int

starts[] = { 322 , 46 , -1 , 75 , 351 , 81 , -1 , 94 , 364 ,

409

97 , -1 , 106 , 373 , 109 };

410  int

lengths[] = { 29 , 6 , 13 , 3 , 9 , 3 , 17 };

411

expected_results[1].score = 53;

412

expected_results[1].evalue = 4.15768;

413

expected_results[1].bit_score = 250238098e-7;

414

expected_results[1].sequence_gis.SetQuery(7450545);

415

expected_results[1].sequence_gis.SetSubject(43121985);

416

expected_results[1].num_ident = 19;

418

back_inserter(expected_results[1].starts));

420

back_inserter(expected_results[1].lengths));

425  int

starts[] = { 125 , 199 , 146 , -1 , 148 , 220 , -1 , 228 ,

426

156 , 233 , -1 , 250 , 173 , 252 , 179 , -1 , 181 , 258 ,

427

220 , -1 , 226 , 297 , 258 , -1 , 265 , 329 };

428  int

lengths[] = { 21 , 2 , 8 , 5 , 17 , 2 , 6 , 2 , 39 , 6 , 32 ,

430

expected_results[2].score = 54;

431

expected_results[2].evalue = 4.40967;

432

expected_results[2].bit_score = 254090094e-7;

433

expected_results[2].sequence_gis.SetQuery(7450545);

434

expected_results[2].sequence_gis.SetSubject(13242404);

435

expected_results[2].num_ident = 39;

437

back_inserter(expected_results[2].starts));

439

back_inserter(expected_results[2].lengths));

461

qa::CSeqAlignCmpOpts opts;

462

qa::CSeqAlignCmp

cmp

(expected_results, actual_results, opts);

464  bool

identical_results =

cmp

.Run(&errors);

466

BOOST_REQUIRE_MESSAGE(identical_results, errors);

474  CPsiBlast

psiblast(query_factory, dbadapter, m_OptHandle);

477

BOOST_REQUIRE(

results

[0].GetErrors().empty());

479  const int

kNumExpectedMatchingSeqs = 6;

482

BOOST_REQUIRE_EQUAL(kNumExpectedMatchingSeqs, s_CountNumberUniqueGIs(sas));

484  const size_t

kNumExpectedHSPs = 6;

488

expected_results[0].score = 59;

489

expected_results[0].evalue = 8.66100e-1;

490

expected_results[0].bit_score = 273350073e-7;

491

expected_results[0].starts.push_back(34);

492

expected_results[0].starts.push_back(95);

493

expected_results[0].lengths.push_back(53);

494

expected_results[0].sequence_gis.SetQuery(7450545);

495

expected_results[0].sequence_gis.SetSubject(22982149);

496

expected_results[0].num_ident = 18;

500  int

starts[] = { 322 , 46 , -1 , 75 , 351 , 81 , -1 , 94 , 364 ,

501

97 , -1 , 106 , 373 , 109 };

502  int

lengths[] = { 29 , 6 , 13 , 3 , 9 , 3 , 17 };

503

expected_results[1].score = 53;

504

expected_results[1].evalue = 4.15768;

505

expected_results[1].bit_score = 250238098e-7;

506

expected_results[1].sequence_gis.SetQuery(7450545);

507

expected_results[1].sequence_gis.SetSubject(43121985);

508

expected_results[1].num_ident = 19;

510

back_inserter(expected_results[1].starts));

512

back_inserter(expected_results[1].lengths));

518  int

starts[] = { 125 , 199 , 146 , -1 , 148 , 220 , -1 , 228 ,

519

156 , 233 , -1 , 250 , 173 , 252 , 179 , -1 , 181 , 258 ,

520

220 , -1 , 226 , 297 , 258 , -1 , 265 , 329 };

521  int

lengths[] = { 21 , 2 , 8 , 5 , 17 , 2 , 6 , 2 , 39 , 6 , 32 ,

523

expected_results[2].score = 54;

524

expected_results[2].evalue = 4.40967;

525

expected_results[2].bit_score = 254090094e-7;

526

expected_results[2].sequence_gis.SetQuery(7450545);

527

expected_results[2].sequence_gis.SetSubject(13242404);

528

expected_results[2].num_ident = 39;

530

back_inserter(expected_results[2].starts));

532

back_inserter(expected_results[2].lengths));

549

qa::CSeqAlignCmpOpts opts;

550

qa::CSeqAlignCmp

cmp

(expected_results, actual_results, opts);

552  bool

identical_results =

cmp

.Run(&errors);

554

BOOST_REQUIRE_MESSAGE(identical_results, errors);

558  const int

kNumIterations = 4;

559  const int

kNumExpectedIterations = 2;

566  CPsiBlast

psiblast(query_factory, dbadapter, m_OptHandle);

568  int

hits_below_threshold[kNumIterations] = { 0, 0, 0, 0 };

569  size_t

number_hits[kNumIterations] = { 11, 14, 0, 0 };

571  int

iteration_counter = 0;

574

BOOST_REQUIRE(

results

[0].GetErrors().empty());

576

BOOST_REQUIRE_EQUAL(number_hits[iteration_counter],

577

alignment->

Get

().size());

582  string

m(

"On round "

);

585

BOOST_REQUIRE_MESSAGE(

586

hits_below_threshold[iteration_counter]==(

int

)ids.

size

(), m);

591

x_ComputePssmForNextIteration(*bioseq, alignment,

592

m_OptHandle,

results

[0].GetAncillaryData());

598

BOOST_REQUIRE_EQUAL(kNumExpectedIterations, iteration_counter);

605  CPsiBlast

psiblast(m_Pssm, dbadapter, m_OptHandle);

608

BOOST_REQUIRE(

results

[0].GetErrors().empty());

610  const int

kNumExpectedMatchingSeqs = 6;

612

BOOST_REQUIRE_EQUAL(kNumExpectedMatchingSeqs, s_CountNumberUniqueGIs(sas));

614  const size_t

kNumExpectedHSPs = 7;

619  int

starts[] = { 0, 941, -1, 1093, 152, 1094 };

620  int

lengths[] = { 152, 1, 80 };

621

expected_results[0].score = 595;

622

expected_results[0].evalue = 2.70189-71;

623

expected_results[0].bit_score = 233623298e-6;

624

expected_results[0].num_ident = 101;

626

back_inserter(expected_results[0].starts));

628

back_inserter(expected_results[0].lengths));

633  int

starts[] = { 0, 154, -1, 308, 154, 309 };

634  int

lengths[] = { 154, 1, 24 };

635

expected_results[1].score = 424;

636

expected_results[1].evalue = 6.54598e-49;

637

expected_results[1].bit_score = 167754171e-6;

638

expected_results[1].num_ident = 73;

640

back_inserter(expected_results[1].starts));

642

back_inserter(expected_results[1].lengths));

648

{ 0, 190, 65, -1, 67, 255, 91, -1, 92, 279, 111, -1, 113, 298,

649

-1, 304, 119, 305, 151, -1, 152, 337, 163, -1, 164, 348,

650

-1, 374, 190, 380, 200, -1, 202, 390 };

652

{ 65, 2, 24, 1, 19, 2, 6, 1, 32, 1, 11, 1, 26, 6, 10, 2, 30 };

653

expected_results[2].score = 372;

654

expected_results[2].evalue = 1.67386e-43;

655

expected_results[2].bit_score = 147723793e-6;

656

expected_results[2].num_ident = 87;

658

back_inserter(expected_results[2].starts));

660

back_inserter(expected_results[2].lengths));

664

expected_results[3].score = 53;

665

expected_results[3].evalue = 2.43336;

666

expected_results[3].bit_score = 248451288e-7;

667

expected_results[3].num_ident = 8;

668

expected_results[3].starts.push_back(206);

669

expected_results[3].starts.push_back(46);

670

expected_results[3].lengths.push_back(19);

674  int

starts[] = { 177, 100, -1, 106, 183, 107, 205, -1, 215, 129 };

675  int

lengths[] = { 6, 1, 22, 10, 14 };

676

expected_results[4].score = 52;

677

expected_results[4].evalue = 3.12771;

678

expected_results[4].bit_score = 244599292e-7;

679

expected_results[4].num_ident = 11;

681

back_inserter(expected_results[4].starts));

683

back_inserter(expected_results[4].lengths));

688  int

starts[] = { 74, 181, 108, -1, 109, 215 };

689  int

lengths[] = { 34, 1, 23 };

690

expected_results[5].score = 49;

691

expected_results[5].evalue = 8.37737;

692

expected_results[5].bit_score = 233043305e-7;

693

expected_results[5].num_ident = 14;

695

back_inserter(expected_results[5].starts));

697

back_inserter(expected_results[5].lengths));

701

expected_results[6].score = 49;

702

expected_results[6].evalue = 8.62465;

703

expected_results[6].bit_score = 233043305e-7;

704

expected_results[6].num_ident = 6;

705

expected_results[6].starts.push_back(188);

706

expected_results[6].starts.push_back(709);

707

expected_results[6].lengths.push_back(30);

712

qa::CSeqAlignCmpOpts opts;

713

qa::CSeqAlignCmp

cmp

(expected_results, actual_results, opts);

715  bool

identical_results =

cmp

.Run(&errors);

717

BOOST_REQUIRE_MESSAGE(identical_results, errors);

724  CPsiBlast

psiblast(m_Pssm, dbadapter, m_OptHandle);

727

BOOST_REQUIRE(

results

[0].GetErrors().empty());

729  const int

kNumExpectedMatchingSeqs = 4;

731

BOOST_REQUIRE_EQUAL(kNumExpectedMatchingSeqs, s_CountNumberUniqueGIs(sas));

733  const size_t

kNumExpectedHSPs = 5;

738  int

starts[] = { 0, 941, -1, 1093, 152, 1094 };

739  int

lengths[] = { 152, 1, 80 };

740

expected_results[0].score = 593;

741

expected_results[0].evalue = 1.15934e-71;

742

expected_results[0].bit_score = 232843196e-6;

743

expected_results[0].sequence_gis.SetQuery(129295);

744

expected_results[0].sequence_gis.SetSubject(34878800);

745

expected_results[0].num_ident = 101;

747

back_inserter(expected_results[0].starts));

749

back_inserter(expected_results[0].lengths));

754  int

starts[] = { 0, 154, -1, 308, 154, 309 };

755  int

lengths[] = { 154, 1, 24 };

756

expected_results[1].score = 417;

757

expected_results[1].evalue = 5.13954e-48;

758

expected_results[1].bit_score = 165048071e-6;

759

expected_results[1].sequence_gis.SetQuery(129295);

760

expected_results[1].sequence_gis.SetSubject(34878800);

761

expected_results[1].num_ident = 73;

763

back_inserter(expected_results[1].starts));

765

back_inserter(expected_results[1].lengths));

771

{ 0, 190, 65, -1, 67, 255, 93, -1, 94, 281, 111, -1, 113, 298,

772

-1, 304, 119, 305, 153, -1, 154, 339, 164, -1, 165, 349,

775

{ 65, 2, 26, 1, 17, 2, 6, 1, 34, 1, 10, 1, 29, 4, 38 };

776

expected_results[2].score = 359;

777

expected_results[2].evalue = 1.18595e-41;

778

expected_results[2].bit_score = 142706496e-6;

779

expected_results[2].sequence_gis.SetQuery(129295);

780

expected_results[2].sequence_gis.SetSubject(20092202);

781

expected_results[2].num_ident = 85;

783

back_inserter(expected_results[2].starts));

785

back_inserter(expected_results[2].lengths));

789

expected_results[3].score = 53;

790

expected_results[3].evalue = 2.14427;

791

expected_results[3].bit_score = 248354256e-7;

792

expected_results[3].sequence_gis.SetQuery(129295);

793

expected_results[3].sequence_gis.SetSubject(44343511);

794

expected_results[3].starts.push_back(206);

795

expected_results[3].starts.push_back(46);

796

expected_results[3].lengths.push_back(19);

797

expected_results[3].num_ident = 8;

800

expected_results[4].score = 51;

801

expected_results[4].evalue = 5.09267;

802

expected_results[4].bit_score = 240650265e-7;

803

expected_results[4].sequence_gis.SetQuery(129295);

804

expected_results[4].sequence_gis.SetSubject(23481125);

805

expected_results[4].starts.push_back(188);

806

expected_results[4].starts.push_back(709);

807

expected_results[4].lengths.push_back(30);

808

expected_results[4].num_ident = 6;

829

qa::CSeqAlignCmpOpts opts;

830

qa::CSeqAlignCmp

cmp

(expected_results, actual_results, opts);

832  bool

identical_results =

cmp

.Run(&errors);

834

BOOST_REQUIRE_MESSAGE(identical_results, errors);

843  CPsiBlast

psiblast(m_Pssm, dbadapter, m_OptHandle);

848  const int

kNumExpectedMatchingSeqs = 6;

850

BOOST_REQUIRE_EQUAL(kNumExpectedMatchingSeqs, s_CountNumberUniqueGIs(sas));

852  const size_t

kNumExpectedHSPs = 7;

857  int

starts[] = { 0, 941, -1, 1093, 152, 1094 };

858  int

lengths[] = { 152, 1, 80 };

859

expected_results[0].score = 595;

860

expected_results[0].evalue = 307180919e-71;

861

expected_results[0].bit_score = 233623298e-6;

862

expected_results[0].num_ident = 101;

864

back_inserter(expected_results[0].starts));

866

back_inserter(expected_results[0].lengths));

871  int

starts[] = { 0, 154, -1, 308, 154, 309 };

872  int

lengths[] = { 154, 1, 24 };

873

expected_results[1].score = 424;

874

expected_results[1].evalue = 20700336e-50;

875

expected_results[1].bit_score = 167754171e-6;

876

expected_results[1].num_ident = 73;

878

back_inserter(expected_results[1].starts));

880

back_inserter(expected_results[1].lengths));

886

{ 0, 190, 65, -1, 67, 255, 91, -1, 92, 279, 111, -1, 113, 298,

887

-1, 304, 119, 305, 151, -1, 152, 337, 163, -1, 164, 348,

888

-1, 374, 190, 380, 200, -1, 202, 390 };

890

{ 65, 2, 24, 1, 19, 2, 6, 1, 32, 1, 11, 1, 26, 6, 10, 2, 30 };

891

expected_results[2].score = 372;

892

expected_results[2].evalue = 221677687e-45;

893

expected_results[2].bit_score = 147723793e-6;

894

expected_results[2].num_ident = 87;

896

back_inserter(expected_results[2].starts));

898

back_inserter(expected_results[2].lengths));

902

expected_results[3].score = 53;

903

expected_results[3].evalue = 216713461e-8;

904

expected_results[3].bit_score = 248451288e-7;

905

expected_results[3].num_ident = 8;

906

expected_results[3].starts.push_back(206);

907

expected_results[3].starts.push_back(46);

908

expected_results[3].lengths.push_back(19);

912  int

starts[] = { 177, 100, -1, 106, 183, 107, 205, -1, 215, 129 };

913  int

lengths[] = { 6, 1, 22, 10, 14 };

914

expected_results[4].score = 52;

915

expected_results[4].evalue = 283036546e-8;

916

expected_results[4].bit_score = 244599292e-7;

917

expected_results[4].num_ident = 11;

919

back_inserter(expected_results[4].starts));

921

back_inserter(expected_results[4].lengths));

926  int

starts[] = { 74, 181, 108, -1, 109, 215 };

927  int

lengths[] = { 34, 1, 23 };

928

expected_results[5].score = 49;

929

expected_results[5].evalue = 630539642e-8;

930

expected_results[5].bit_score = 233043305e-7;

931

expected_results[5].num_ident = 14;

933

back_inserter(expected_results[5].starts));

935

back_inserter(expected_results[5].lengths));

939

expected_results[6].score = 49;

940

expected_results[6].evalue = 630539642e-8;

941

expected_results[6].bit_score = 233043305e-7;

942

expected_results[6].num_ident = 6;

943

expected_results[6].starts.push_back(188);

944

expected_results[6].starts.push_back(709);

945

expected_results[6].lengths.push_back(30);

950

qa::CSeqAlignCmpOpts opts;

951

qa::CSeqAlignCmp

cmp

(expected_results, actual_results, opts);

953  bool

identical_results =

cmp

.Run(&errors);

955

BOOST_REQUIRE_MESSAGE(identical_results, errors);

962  CPsiBlast

psiblast(m_Pssm, dbadapter, m_OptHandle);

967  const int

kNumExpectedMatchingSeqs = 6;

969

BOOST_REQUIRE_EQUAL(kNumExpectedMatchingSeqs, s_CountNumberUniqueGIs(sas));

971  const size_t

kNumExpectedHSPs = 7;

976  int

starts[] = { 0, 941, -1, 1093, 152, 1094 };

977  int

lengths[] = { 152, 1, 80 };

978

expected_results[0].score = 595;

979

expected_results[0].evalue = 307180919e-71;

980

expected_results[0].bit_score = 233623298e-6;

981

expected_results[0].num_ident = 101;

983

back_inserter(expected_results[0].starts));

985

back_inserter(expected_results[0].lengths));

990  int

starts[] = { 0, 154, -1, 308, 154, 309 };

991  int

lengths[] = { 154, 1, 24 };

992

expected_results[1].score = 424;

993

expected_results[1].evalue = 20700336e-50;

994

expected_results[1].bit_score = 167754171e-6;

995

expected_results[1].num_ident = 73;

997

back_inserter(expected_results[1].starts));

999

back_inserter(expected_results[1].lengths));

1005

{ 0, 190, 65, -1, 67, 255, 91, -1, 92, 279, 111, -1, 113, 298,

1006

-1, 304, 119, 305, 151, -1, 152, 337, 163, -1, 164, 348,

1007

-1, 374, 190, 380, 200, -1, 202, 390 };

1009

{ 65, 2, 24, 1, 19, 2, 6, 1, 32, 1, 11, 1, 26, 6, 10, 2, 30 };

1010

expected_results[2].score = 372;

1011

expected_results[2].evalue = 221677687e-45;

1012

expected_results[2].bit_score = 147723793e-6;

1013

expected_results[2].num_ident = 87;

1015

back_inserter(expected_results[2].starts));

1017

back_inserter(expected_results[2].lengths));

1021

expected_results[3].score = 53;

1022

expected_results[3].evalue = 216713461e-8;

1023

expected_results[3].bit_score = 248451288e-7;

1024

expected_results[3].num_ident = 8;

1025

expected_results[3].starts.push_back(206);

1026

expected_results[3].starts.push_back(46);

1027

expected_results[3].lengths.push_back(19);

1031  int

starts[] = { 177, 100, -1, 106, 183, 107, 205, -1, 215, 129 };

1032  int

lengths[] = { 6, 1, 22, 10, 14 };

1033

expected_results[4].score = 52;

1034

expected_results[4].evalue = 283036546e-8;

1035

expected_results[4].bit_score = 244599292e-7;

1036

expected_results[4].num_ident = 11;

1038

back_inserter(expected_results[4].starts));

1040

back_inserter(expected_results[4].lengths));

1045  int

starts[] = { 74, 181, 108, -1, 109, 215 };

1046  int

lengths[] = { 34, 1, 23 };

1047

expected_results[5].score = 49;

1048

expected_results[5].evalue = 630539642e-8;

1049

expected_results[5].bit_score = 233043305e-7;

1050

expected_results[5].num_ident = 14;

1052

back_inserter(expected_results[5].starts));

1054

back_inserter(expected_results[5].lengths));

1058

expected_results[6].score = 49;

1059

expected_results[6].evalue = 630539642e-8;

1060

expected_results[6].bit_score = 233043305e-7;

1061

expected_results[6].num_ident = 6;

1062

expected_results[6].starts.push_back(188);

1063

expected_results[6].starts.push_back(709);

1064

expected_results[6].lengths.push_back(30);

1069

qa::CSeqAlignCmpOpts opts;

1070

qa::CSeqAlignCmp

cmp

(expected_results, actual_results, opts);

1072  bool

identical_results =

cmp

.Run(&errors);

1074

BOOST_REQUIRE_MESSAGE(identical_results, errors);

1081  const int

kNumIterations = 4;

1082  const int

kNumExpectedIterations = 2;

1086  CPsiBlast

psiblast(m_Pssm, dbadapter, m_OptHandle);

1088  int

hits_below_threshold[kNumIterations] = { 2, 2, 0, 0 };

1089  int

number_hits[kNumIterations] = { 6, 5, 0, 0 };

1091  int

iteration_counter = 0;

1094

BOOST_REQUIRE(

results

[0].GetErrors().empty());

1097

BOOST_REQUIRE_EQUAL(number_hits[iteration_counter],

1098

s_CountNumberUniqueGIs(alignment));

1103  string

m(

"On round "

);

1106

BOOST_REQUIRE_EQUAL(hits_below_threshold[iteration_counter],

1107

(

int

)ids.

size

());

1111  const CBioseq

&

query

= m_Pssm->GetPssm().GetQuery().GetSeq();

1113

x_ComputePssmForNextIteration(

query

, alignment,

1114

m_OptHandle,

results

[0].GetAncillaryData());

1117

iteration_counter++;

1120

BOOST_REQUIRE_EQUAL(kNumExpectedIterations, iteration_counter);

1126  const int

kNumIterations = 4;

1127  const int

kNumExpectedIterations = 2;

1131  CPsiBlast

psiblast(m_Pssm, dbadapter, m_OptHandle);

1133  int

hits_below_threshold[kNumIterations] = { 2, 2, 0, 0 };

1134  int

number_hits[kNumIterations] = { 4, 3, 0, 0 };

1136  int

iteration_counter = 0;

1139

BOOST_REQUIRE(

results

[0].GetErrors().empty());

1141

BOOST_REQUIRE(alignment.

NotEmpty

());

1142

BOOST_REQUIRE_EQUAL(number_hits[iteration_counter],

1143

s_CountNumberUniqueGIs(alignment));

1148  string

m(

"On round "

);

1151

BOOST_REQUIRE_EQUAL(hits_below_threshold[iteration_counter],

1152

(

int

)ids.

size

());

1156  const CBioseq

&

query

= m_Pssm->GetPssm().GetQuery().GetSeq();

1158

x_ComputePssmForNextIteration(

query

, alignment,

1159

m_OptHandle,

results

[0].GetAncillaryData());

1162

iteration_counter++;

1165

BOOST_REQUIRE_EQUAL(kNumExpectedIterations, iteration_counter);

1179

BOOST_REQUIRE_THROW(

CPsiBlast

psiblast(query_factory, dbadapter, m_OptHandle),

1185

m_Pssm->SetPssm().SetIntermediateData().SetFreqRatios()) {

1190  CPsiBlast

psiblast(m_Pssm, dbadapter, m_OptHandle);

1193

BOOST_REQUIRE( !messages.empty() );

1195  string

expected_warning(

"Frequency ratios for PSSM are all zeros"

);

1199

((*m)->GetMessage().find(expected_warning) != string::npos)) {

1200

warning = (*m)->GetMessage();

1204

BOOST_REQUIRE_MESSAGE(!warning.empty(),

"Did not find expected warning"

);

1210

BOOST_REQUIRE_THROW(

CPsiBlast

psiblast(m_Pssm, dbadapter, m_OptHandle),

1216  CPsiBlast

psiblast(m_Pssm, dbadapter, m_OptHandle);

1222

m_SearchDb->SetDatabaseName(

"dummy"

);

1224  CPsiBlast

psiblast(m_Pssm, dbadapter, m_OptHandle);

1229

m_OptHandle.Reset();

1233

BOOST_REQUIRE_THROW(

CPsiBlast

psiblast(query_factory, dbadapter, m_OptHandle),

User-defined methods of the data storage class.

User-defined methods of the data storage class.

User-defined methods of the data storage class.

Definitions which are dependant on the NCBI C++ Object Manager.

PSIDiagnosticsRequest * PSIDiagnosticsRequestNew(void)

Allocates a PSIDiagnosticsRequest structure, setting all fields to false.

Declares CBlastScopeSource class to create properly configured CScope objects to invoke the BLAST dat...

BOOST_AUTO_TEST_SUITE_END() static int s_GetSegmentFlags(const CBioseq &bioseq)

Defines BLAST error codes (user errors included)

Class whose purpose is to create CScope objects which have data loaders added with different prioriti...

CRef< objects::CScope > NewScope()

Create a new, properly configured CScope.

Interface to create a BlastSeqSrc suitable for use in CORE BLAST from a a variety of BLAST database/s...

NCBI C++ Object Manager dependant implementation of IQueryFactory.

Handle to the protein-protein options to the BLAST algorithm.

Wrapper class for PSIDiagnosticsRequest .

Represents the iteration state in PSI-BLAST.

Runs a single iteration of the PSI-BLAST algorithm on a BLAST database.

Search Results for All Queries.

Template class for iteration on objects of class C (non-medifiable version)

Source of query sequence data for BLAST Provides an interface for search classes to retrieve sequence...

Class for the messages for an individual query sequence.

@ eCompositionBasedStats

Composition-based statistics as in NAR 29:2994-3005, 2001.

@ eCompoForceFullMatrixAdjust

Composition-based score adjustment as in Bioinformatics 21:902-911, 2005, unconditionally.

@ eNoCompositionBasedStats

Don't use composition based statistics.

@ eCompositionMatrixAdjust

Composition-based score adjustment as in Bioinformatics 21:902-911, 2005, conditioned on sequence pro...

CRef< CSearchResultSet > Run()

Run the PSI-BLAST engine for one iteration.

unsigned int GetIterationNumber() const

Return the number of the current iteration.

void SetPssm(CConstRef< objects::CPssmWithParameters > pssm)

This method allows the same object to be reused when performing multiple iterations.

ECompoAdjustModes GetCompositionBasedStats() const

Returns this mode, which mostly specifies whether composition of db sequence is taken into account wh...

const CBlastOptions & GetOptions() const

Return the object which this object is a handle for.

CRef< objects::CPssmWithParameters > PsiBlastComputePssmFromAlignment(const objects::CBioseq &query, CConstRef< objects::CSeq_align_set > alignment, CRef< objects::CScope > database_scope, const CPSIBlastOptionsHandle &opts_handle, CConstRef< CBlastAncillaryData > ancillary_data, PSIDiagnosticsRequest *diagnostics_req=0)

Computes a PSSM from the result of a PSI-BLAST iteration.

void PsiBlastComputePssmScores(CRef< objects::CPssmWithParameters > pssm, const CBlastOptions &opts)

Given a PSSM with frequency ratios and options, invoke the PSSM engine to compute the scores.

void Advance(const TSeqIds &list)

Advance the iterator by passing it the list of Seq-ids which passed the inclusion criteria for the cu...

static void GetSeqIds(CConstRef< objects::CSeq_align_set > seqalign, CConstRef< CPSIBlastOptionsHandle > opts, TSeqIds &retval)

Extract the sequence ids from the sequence alignment which identify those sequences that will be used...

@ eBlastDbIsProtein

protein

#define ITERATE(Type, Var, Cont)

ITERATE macro to sequence through container elements.

#define NON_CONST_ITERATE(Type, Var, Cont)

Non constant version of ITERATE macro.

virtual bool Equals(const CSerialObject &object, ESerialRecursionMode how=eRecursive) const

Check if both objects contain the same values.

virtual void Assign(const CSerialObject &source, ESerialRecursionMode how=eRecursive)

Optimized implementation of CSerialObject::Assign, which is not so efficient.

static bool PreferAccessionOverGi(void)

Check if the option to prefer accession.version over GI is enabled (SeqId/PreferAccessionOverGi or SE...

void SetId(CSeq_id &id)

set the 'id' field in all parts of this location

CConstBeginInfo ConstBegin(const C &obj)

Get starting point of non-modifiable object hierarchy.

CBioseq_Handle AddBioseq(CBioseq &bioseq, TPriority pri=kPriority_Default, EExist action=eExist_Throw)

Add bioseq, return bioseq handle.

static CRef< CObjectManager > GetInstance(void)

Return the existing object manager or create one.

void Reset(void)

Reset reference object.

bool NotEmpty(void) const THROWS_NONE

Check if CConstRef is not empty – pointing to an object and has a non-null value.

static string SizetToString(size_t value, TNumToStringFlags flags=0, int base=10)

Convert size_t to string.

static string IntToString(int value, TNumToStringFlags flags=0, int base=10)

Convert int to string.

bool CanGetIntermediateData(void) const

Check if it is safe to call GetIntermediateData method.

const TFinalData & GetFinalData(void) const

Get the FinalData member data.

bool CanGetFinalData(void) const

Check if it is safe to call GetFinalData method.

void SetPssm(TPssm &value)

Assign a value to Pssm data member.

bool CanGetQuery(void) const

Check if it is safe to call GetQuery method.

bool CanGetScores(void) const

Check if it is safe to call GetScores method.

list< double > TFreqRatios

bool CanGetPssm(void) const

Check if it is safe to call GetPssm method.

const TPssm & GetPssm(void) const

Get the Pssm member data.

list< CRef< CSeq_align > > Tdata

const Tdata & Get(void) const

Get the member data.

TGi GetGi(void) const

Get the variant data.

TSet & SetSet(void)

Select the variant.

TSeq_set & SetSeq_set(void)

Assign a value to Seq_set data member.

Declares class which provides internal BLAST database representations to the internal BLAST APIs.

constexpr bool empty(list< Ts... >) noexcept

Magic spell ;-) needed for some weird compilers... very empiric.

std::vector< SeqAlign > TSeqAlignSet

Vector of neutral sequence alignments.

double r(size_t dimension_, const Int4 *score_, const double *prob_, double theta_)

void copy(Njn::Matrix< S > *matrix_, const Njn::Matrix< T > &matrix0_)

NOTE: This file contains work in progress and the APIs are likely to change, please do not rely on th...

Defines a concrete strategy to obtain PSSM input data for PSI-BLAST.

Declares CPsiBlast, the C++ API for the PSI-BLAST engine.

Declarations of auxiliary functions/classes for PSI-BLAST.

Defines class which represents the iteration state in PSI-BLAST.

#define STATIC_ARRAY_SIZE(array)

Calculate the size of a static array.

BOOST_AUTO_TEST_CASE(TestSingleIteration_ProteinAsQuery_NoCBS)

C++ API for the PSI-BLAST PSSM engine.

static bool GetSeqId(const T &d, set< string > &labels, const string name="", bool detect=false, bool found=false)

API to compare CSeq-aligns produced by BLAST.

void SeqAlignSetConvert(const objects::CSeq_align_set &ss, std::vector< SeqAlign > &retval)

Converts a Seq-align-set into a neutral seqalign for use with the CSeqAlignCmp class.

Defines BLAST database access classes.

vector< SSeqLoc > TSeqLocVector

Vector of sequence locations.

CRef< CPssmWithParameters > x_ComputePssmForNextIteration(const CBioseq &query, CConstRef< CSeq_align_set > sset, CConstRef< CPSIBlastOptionsHandle > opts_handle, CConstRef< CBlastAncillaryData > ancillary_data)

IQueryFactory * s_SetupSubject(CConstRef< CBioseq_set > bioseq_set)

IQueryFactory * s_SetupSubject(CConstRef< CBioseq > bioseq)

void x_ReadSeqEntriesFromFile()

CRef< CPSIBlastOptionsHandle > m_OptHandle

CSearchDatabase * m_SearchDb

CRef< CSeq_entry > m_SeqEntry

Contains a single Bioseq.

void x_ReadPssmFromFile()

int s_CountNumberUniqueGIs(CConstRef< CSeq_align_set > sas)

CRef< CSeq_entry > m_SeqSet

Contains a Bioseq-set with two Bioseqs, gi 7450545 and gi 129295.

CRef< CPssmWithParameters > m_Pssm

Boolean frequency_ratios

request frequency ratios

Structure to represent a single sequence to be fed to BLAST.

Utility stuff for more convenient using of Boost.Test library.

Uniform BLAST Search Interface.


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