src/gromacs/selection/tests/selectioncollection.cpp

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  35 /*! \internal \file
  36  * \brief
  37  * Tests selection parsing and compilation.
  38  *
  39  * \author Teemu Murtola <teemu.murtola@gmail.com>
  40  * \ingroup module_selection
  41  */
  42 #include <gtest/gtest.h>
  43
  44 #include "gromacs/options/basicoptions.h"
  45 #include "gromacs/options/options.h"
  46 #include "gromacs/selection/indexutil.h"
  47 #include "gromacs/selection/selectioncollection.h"
  48 #include "gromacs/selection/selection.h"
  49 #include "gromacs/topology/topology.h"
  50 #include "gromacs/utility/arrayref.h"
  51 #include "gromacs/utility/exceptions.h"
  52 #include "gromacs/utility/flags.h"
  53 #include "gromacs/utility/gmxregex.h"
  54 #include "gromacs/utility/stringutil.h"
  55
  56 #include "testutils/refdata.h"
  57 #include "testutils/testasserts.h"
  58 #include "testutils/testfilemanager.h"
  59 #include "testutils/testoptions.h"
  60
  61 #include "toputils.h"
  62
  63 namespace
  64 {
  65
  66 /********************************************************************
  67  * Test fixture for selection testing
  68  */
  69
  70 class SelectionCollectionTest : public ::testing::Test
  71 {
  72     public:
  73         static int               s_debugLevel;
  74
  75         SelectionCollectionTest();
  76         ~SelectionCollectionTest();
  77
  78         void setAtomCount(int natoms)
  79         {
  80             ASSERT_NO_THROW_GMX(sc_.setTopology(NULL, natoms));
  81         }
  82         void loadTopology(const char *filename);
  83         void setTopology();
  84         void loadIndexGroups(const char *filename);
  85
  86         gmx::test::TopologyManager  topManager_;
  87         gmx::SelectionCollection    sc_;
  88         gmx::SelectionList          sel_;
  89         t_topology                 *top_;
  90         t_trxframe                 *frame_;
  91         gmx_ana_indexgrps_t        *grps_;
  92 };
  93
  94 int SelectionCollectionTest::s_debugLevel = 0;
  95
  96 // \cond/\endcond do not seem to work here with Doxygen 1.8.5 parser.
  97 #ifndef DOXYGEN
  98 GMX_TEST_OPTIONS(SelectionCollectionTestOptions, options)
  99 {
 100     options->addOption(gmx::IntegerOption("seldebug")
 101                            .store(&SelectionCollectionTest::s_debugLevel)
 102                            .description("Set selection debug level"));
 103 }
 104 #endif
 105
 106 SelectionCollectionTest::SelectionCollectionTest()
 107     : top_(NULL), frame_(NULL), grps_(NULL)
 108 {
 109     topManager_.requestFrame();
 110     sc_.setDebugLevel(s_debugLevel);
 111     sc_.setReferencePosType("atom");
 112     sc_.setOutputPosType("atom");
 113 }
 114
 115 SelectionCollectionTest::~SelectionCollectionTest()
 116 {
 117     if (grps_ != NULL)
 118     {
 119         gmx_ana_indexgrps_free(grps_);
 120     }
 121 }
 122
 123 void
 124 SelectionCollectionTest::loadTopology(const char *filename)
 125 {
 126     topManager_.loadTopology(filename);
 127     setTopology();
 128 }
 129
 130 void
 131 SelectionCollectionTest::setTopology()
 132 {
 133     top_   = topManager_.topology();
 134     frame_ = topManager_.frame();
 135
 136     ASSERT_NO_THROW_GMX(sc_.setTopology(top_, -1));
 137 }
 138
 139 void
 140 SelectionCollectionTest::loadIndexGroups(const char *filename)
 141 {
 142     GMX_RELEASE_ASSERT(grps_ == NULL,
 143                        "External groups can only be loaded once");
 144     std::string fullpath =
 145         gmx::test::TestFileManager::getInputFilePath(filename);
 146     gmx_ana_indexgrps_init(&grps_, NULL, fullpath.c_str());
 147     sc_.setIndexGroups(grps_);
 148 }
 149
 150
 151 /********************************************************************
 152  * Test fixture for selection testing with reference data
 153  */
 154
 155 class SelectionCollectionDataTest : public SelectionCollectionTest
 156 {
 157     public:
 158         enum TestFlag
 159         {
 160             efTestEvaluation            = 1<<0,
 161             efTestPositionAtoms         = 1<<1,
 162             efTestPositionCoordinates   = 1<<2,
 163             efTestPositionMapping       = 1<<3,
 164             efTestPositionMasses        = 1<<4,
 165             efTestPositionCharges       = 1<<5,
 166             efTestSelectionNames        = 1<<6,
 167             efDontTestCompiledAtoms     = 1<<8
 168         };
 169         typedef gmx::FlagsTemplate<TestFlag> TestFlags;
 170
 171         SelectionCollectionDataTest()
 172             : checker_(data_.rootChecker()), count_(0), framenr_(0)
 173         {
 174         }
 175
 176         void setFlags(TestFlags flags) { flags_ = flags; }
 177
 178         void runParser(const gmx::ConstArrayRef<const char *> &selections);
 179         void runCompiler();
 180         void runEvaluate();
 181         void runEvaluateFinal();
 182
 183         void runTest(int                                     natoms,
 184                      const gmx::ConstArrayRef<const char *> &selections);
 185         void runTest(const char                             *filename,
 186                      const gmx::ConstArrayRef<const char *> &selections);
 187
 188     private:
 189         static void checkSelection(gmx::test::TestReferenceChecker *checker,
 190                                    const gmx::Selection &sel, TestFlags flags);
 191
 192         void checkCompiled();
 193
 194         gmx::test::TestReferenceData    data_;
 195         gmx::test::TestReferenceChecker checker_;
 196         size_t                          count_;
 197         int                             framenr_;
 198         TestFlags                       flags_;
 199 };
 200
 201
 202 void
 203 SelectionCollectionDataTest::checkSelection(
 204         gmx::test::TestReferenceChecker *checker,
 205         const gmx::Selection &sel, TestFlags flags)
 206 {
 207     using gmx::test::TestReferenceChecker;
 208
 209     {
 210         gmx::ConstArrayRef<int> atoms = sel.atomIndices();
 211         checker->checkSequence(atoms.begin(), atoms.end(), "Atoms");
 212     }
 213     if (flags.test(efTestPositionAtoms)
 214         || flags.test(efTestPositionCoordinates)
 215         || flags.test(efTestPositionMapping)
 216         || flags.test(efTestPositionMasses)
 217         || flags.test(efTestPositionCharges))
 218     {
 219         TestReferenceChecker compound(
 220                 checker->checkSequenceCompound("Positions", sel.posCount()));
 221         for (int i = 0; i < sel.posCount(); ++i)
 222         {
 223             TestReferenceChecker          poscompound(compound.checkCompound("Position", NULL));
 224             const gmx::SelectionPosition &p = sel.position(i);
 225             if (flags.test(efTestPositionAtoms))
 226             {
 227                 gmx::ConstArrayRef<int> atoms = p.atomIndices();
 228                 poscompound.checkSequence(atoms.begin(), atoms.end(), "Atoms");
 229             }
 230             if (flags.test(efTestPositionCoordinates))
 231             {
 232                 poscompound.checkVector(p.x(), "Coordinates");
 233             }
 234             if (flags.test(efTestPositionMapping))
 235             {
 236                 poscompound.checkInteger(p.refId(), "RefId");
 237                 poscompound.checkInteger(p.mappedId(), "MappedId");
 238             }
 239             if (flags.test(efTestPositionMasses))
 240             {
 241                 poscompound.checkReal(p.mass(), "Mass");
 242             }
 243             if (flags.test(efTestPositionCharges))
 244             {
 245                 poscompound.checkReal(p.charge(), "Charge");
 246             }
 247         }
 248     }
 249 }
 250
 251
 252 void
 253 SelectionCollectionDataTest::runParser(
 254         const gmx::ConstArrayRef<const char *> &selections)
 255 {
 256     using gmx::test::TestReferenceChecker;
 257
 258     TestReferenceChecker compound(checker_.checkCompound("ParsedSelections", "Parsed"));
 259     size_t               varcount = 0;
 260     count_ = 0;
 261     for (size_t i = 0; i < selections.size(); ++i)
 262     {
 263         SCOPED_TRACE(std::string("Parsing selection \"")
 264                      + selections[i] + "\"");
 265         gmx::SelectionList result;
 266         ASSERT_NO_THROW_GMX(result = sc_.parseFromString(selections[i]));
 267         sel_.insert(sel_.end(), result.begin(), result.end());
 268         if (sel_.size() == count_)
 269         {
 270             std::string          id = gmx::formatString("Variable%d", static_cast<int>(varcount + 1));
 271             TestReferenceChecker varcompound(
 272                     compound.checkCompound("ParsedVariable", id.c_str()));
 273             varcompound.checkString(selections[i], "Input");
 274             ++varcount;
 275         }
 276         else
 277         {
 278             std::string          id = gmx::formatString("Selection%d", static_cast<int>(count_ + 1));
 279             TestReferenceChecker selcompound(
 280                     compound.checkCompound("ParsedSelection", id.c_str()));
 281             selcompound.checkString(selections[i], "Input");
 282             if (flags_.test(efTestSelectionNames))
 283             {
 284                 selcompound.checkString(sel_[count_].name(), "Name");
 285             }
 286             selcompound.checkString(sel_[count_].selectionText(), "Text");
 287             selcompound.checkBoolean(sel_[count_].isDynamic(), "Dynamic");
 288             ++count_;
 289         }
 290     }
 291 }
 292
 293
 294 void
 295 SelectionCollectionDataTest::runCompiler()
 296 {
 297     ASSERT_NO_THROW_GMX(sc_.compile());
 298     ASSERT_EQ(count_, sel_.size());
 299     checkCompiled();
 300 }
 301
 302
 303 void
 304 SelectionCollectionDataTest::checkCompiled()
 305 {
 306     using gmx::test::TestReferenceChecker;
 307     const TestFlags      mask = ~TestFlags(efTestPositionCoordinates);
 308
 309     TestReferenceChecker compound(checker_.checkCompound("CompiledSelections", "Compiled"));
 310     for (size_t i = 0; i < count_; ++i)
 311     {
 312         SCOPED_TRACE(std::string("Checking selection \"") +
 313                      sel_[i].selectionText() + "\"");
 314         std::string          id = gmx::formatString("Selection%d", static_cast<int>(i + 1));
 315         TestReferenceChecker selcompound(
 316                 compound.checkCompound("Selection", id.c_str()));
 317         if (flags_.test(efTestSelectionNames))
 318         {
 319             selcompound.checkString(sel_[i].name(), "Name");
 320         }
 321         if (!flags_.test(efDontTestCompiledAtoms))
 322         {
 323             checkSelection(&selcompound, sel_[i], flags_ & mask);
 324         }
 325     }
 326 }
 327
 328
 329 void
 330 SelectionCollectionDataTest::runEvaluate()
 331 {
 332     using gmx::test::TestReferenceChecker;
 333
 334     ++framenr_;
 335     ASSERT_NO_THROW_GMX(sc_.evaluate(frame_, NULL));
 336     std::string          frame = gmx::formatString("Frame%d", framenr_);
 337     TestReferenceChecker compound(
 338             checker_.checkCompound("EvaluatedSelections", frame.c_str()));
 339     for (size_t i = 0; i < count_; ++i)
 340     {
 341         SCOPED_TRACE(std::string("Checking selection \"") +
 342                      sel_[i].selectionText() + "\"");
 343         std::string          id = gmx::formatString("Selection%d", static_cast<int>(i + 1));
 344         TestReferenceChecker selcompound(
 345                 compound.checkCompound("Selection", id.c_str()));
 346         checkSelection(&selcompound, sel_[i], flags_);
 347     }
 348 }
 349
 350
 351 void
 352 SelectionCollectionDataTest::runEvaluateFinal()
 353 {
 354     ASSERT_NO_THROW_GMX(sc_.evaluateFinal(framenr_));
 355     checkCompiled();
 356 }
 357
 358
 359 void
 360 SelectionCollectionDataTest::runTest(
 361         int natoms, const gmx::ConstArrayRef<const char *> &selections)
 362 {
 363     ASSERT_NO_FATAL_FAILURE(runParser(selections));
 364     ASSERT_NO_FATAL_FAILURE(setAtomCount(natoms));
 365     ASSERT_NO_FATAL_FAILURE(runCompiler());
 366 }
 367
 368
 369 void
 370 SelectionCollectionDataTest::runTest(
 371         const char *filename, const gmx::ConstArrayRef<const char *> &selections)
 372 {
 373     ASSERT_NO_FATAL_FAILURE(runParser(selections));
 374     ASSERT_NO_FATAL_FAILURE(loadTopology(filename));
 375     ASSERT_NO_FATAL_FAILURE(runCompiler());
 376     if (flags_.test(efTestEvaluation))
 377     {
 378         ASSERT_NO_FATAL_FAILURE(runEvaluate());
 379         ASSERT_NO_FATAL_FAILURE(runEvaluateFinal());
 380     }
 381 }
 382
 383
 384 /********************************************************************
 385  * Tests for SelectionCollection functionality without reference data
 386  */
 387
 388 TEST_F(SelectionCollectionTest, HandlesNoSelections)
 389 {
 390     EXPECT_FALSE(sc_.requiresTopology());
 391     EXPECT_NO_THROW_GMX(sc_.compile());
 392 }
 393
 394 TEST_F(SelectionCollectionTest, HandlesVelocityAndForceRequests)
 395 {
 396     ASSERT_NO_THROW_GMX(sel_ = sc_.parseFromString("atomnr 1 to 10; none"));
 397     ASSERT_NO_FATAL_FAILURE(setAtomCount(10));
 398     ASSERT_EQ(2U, sel_.size());
 399     ASSERT_NO_THROW_GMX(sel_[0].setEvaluateVelocities(true));
 400     ASSERT_NO_THROW_GMX(sel_[1].setEvaluateVelocities(true));
 401     ASSERT_NO_THROW_GMX(sel_[0].setEvaluateForces(true));
 402     ASSERT_NO_THROW_GMX(sel_[1].setEvaluateForces(true));
 403     ASSERT_NO_THROW_GMX(sc_.compile());
 404     EXPECT_TRUE(sel_[0].hasVelocities());
 405     EXPECT_TRUE(sel_[1].hasVelocities());
 406     EXPECT_TRUE(sel_[0].hasForces());
 407     EXPECT_TRUE(sel_[1].hasForces());
 408 }
 409
 410 TEST_F(SelectionCollectionTest, ParsesSelectionsFromFile)
 411 {
 412     ASSERT_NO_THROW_GMX(sel_ = sc_.parseFromFile(
 413                                     gmx::test::TestFileManager::getInputFilePath("selfile.dat")));
 414     // These should match the contents of selfile.dat
 415     ASSERT_EQ(2U, sel_.size());
 416     EXPECT_STREQ("resname RA RB", sel_[0].selectionText());
 417     EXPECT_STREQ("resname RB RC", sel_[1].selectionText());
 418 }
 419
 420 TEST_F(SelectionCollectionTest, HandlesAtypicalWhitespace)
 421 {
 422     ASSERT_NO_THROW_GMX(sel_ = sc_.parseFromString("atomnr\n1\r\nto\t10;\vatomnr 3\f to 14\r"));
 423     ASSERT_EQ(2U, sel_.size());
 424     EXPECT_STREQ("atomnr 1 to 10", sel_[0].selectionText());
 425     // TODO: Get rid of the trailing whitespace.
 426     EXPECT_STREQ("atomnr 3 to 14 ", sel_[1].selectionText());
 427 }
 428
 429 TEST_F(SelectionCollectionTest, HandlesInvalidRegularExpressions)
 430 {
 431     ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
 432     EXPECT_THROW_GMX({
 433                          sc_.parseFromString("resname ~ \"R[A\"");
 434                          sc_.compile();
 435                      }, gmx::InvalidInputError);
 436 }
 437
 438 TEST_F(SelectionCollectionTest, HandlesUnsupportedRegularExpressions)
 439 {
 440     if (!gmx::Regex::isSupported())
 441     {
 442         ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
 443         EXPECT_THROW_GMX({
 444                              sc_.parseFromString("resname \"R[AD]\"");
 445                              sc_.compile();
 446                          }, gmx::InvalidInputError);
 447     }
 448 }
 449
 450 TEST_F(SelectionCollectionTest, HandlesMissingMethodParamValue)
 451 {
 452     EXPECT_THROW_GMX(sc_.parseFromString("mindist from atomnr 1 cutoff"),
 453                      gmx::InvalidInputError);
 454 }
 455
 456 TEST_F(SelectionCollectionTest, HandlesMissingMethodParamValue2)
 457 {
 458     EXPECT_THROW_GMX(sc_.parseFromString("within 1 of"),
 459                      gmx::InvalidInputError);
 460 }
 461
 462 TEST_F(SelectionCollectionTest, HandlesMissingMethodParamValue3)
 463 {
 464     EXPECT_THROW_GMX(sc_.parseFromString("within of atomnr 1"),
 465                      gmx::InvalidInputError);
 466 }
 467
 468 // TODO: Tests for more parser errors
 469
 470 TEST_F(SelectionCollectionTest, HandlesUnknownGroupReferenceParser1)
 471 {
 472     ASSERT_NO_THROW_GMX(sc_.setIndexGroups(NULL));
 473     EXPECT_THROW_GMX(sc_.parseFromString("group \"foo\""), gmx::InconsistentInputError);
 474     EXPECT_THROW_GMX(sc_.parseFromString("4"), gmx::InconsistentInputError);
 475 }
 476
 477 TEST_F(SelectionCollectionTest, HandlesUnknownGroupReferenceParser2)
 478 {
 479     ASSERT_NO_THROW_GMX(loadIndexGroups("simple.ndx"));
 480     EXPECT_THROW_GMX(sc_.parseFromString("group \"foo\""), gmx::InconsistentInputError);
 481     EXPECT_THROW_GMX(sc_.parseFromString("4"), gmx::InconsistentInputError);
 482 }
 483
 484 TEST_F(SelectionCollectionTest, HandlesUnknownGroupReferenceDelayed1)
 485 {
 486     ASSERT_NO_THROW_GMX(sc_.parseFromString("group \"foo\""));
 487     ASSERT_NO_FATAL_FAILURE(setAtomCount(10));
 488     EXPECT_THROW_GMX(sc_.setIndexGroups(NULL), gmx::InconsistentInputError);
 489     EXPECT_THROW_GMX(sc_.compile(), gmx::APIError);
 490 }
 491
 492 TEST_F(SelectionCollectionTest, HandlesUnknownGroupReferenceDelayed2)
 493 {
 494     ASSERT_NO_THROW_GMX(sc_.parseFromString("group 4; group \"foo\""));
 495     ASSERT_NO_FATAL_FAILURE(setAtomCount(10));
 496     EXPECT_THROW_GMX(loadIndexGroups("simple.ndx"), gmx::InconsistentInputError);
 497     EXPECT_THROW_GMX(sc_.compile(), gmx::APIError);
 498 }
 499
 500 TEST_F(SelectionCollectionTest, HandlesUnsortedGroupReference)
 501 {
 502     ASSERT_NO_THROW_GMX(loadIndexGroups("simple.ndx"));
 503     EXPECT_THROW_GMX(sc_.parseFromString("atomnr 1 to 3 and group \"GrpUnsorted\""),
 504                      gmx::InconsistentInputError);
 505     EXPECT_THROW_GMX(sc_.parseFromString("group 2 or atomnr 2 to 5"),
 506                      gmx::InconsistentInputError);
 507     EXPECT_THROW_GMX(sc_.parseFromString("within 1 of group 2"),
 508                      gmx::InconsistentInputError);
 509 }
 510
 511 TEST_F(SelectionCollectionTest, HandlesUnsortedGroupReferenceDelayed)
 512 {
 513     ASSERT_NO_THROW_GMX(sc_.parseFromString("atomnr 1 to 3 and group \"GrpUnsorted\""));
 514     ASSERT_NO_THROW_GMX(sc_.parseFromString("atomnr 1 to 3 and group 2"));
 515     EXPECT_THROW_GMX(loadIndexGroups("simple.ndx"), gmx::InconsistentInputError);
 516     // TODO: Add a separate check in the selection compiler for a safer API
 517     // (makes sense in the future if the compiler needs the information for
 518     // other purposes as well).
 519     // EXPECT_THROW_GMX(sc_.compile(), gmx::APIError);
 520 }
 521
 522 TEST_F(SelectionCollectionTest, HandlesOutOfRangeAtomIndexInGroup)
 523 {
 524     ASSERT_NO_THROW_GMX(sc_.setTopology(NULL, 5));
 525     ASSERT_NO_THROW_GMX(loadIndexGroups("simple.ndx"));
 526     EXPECT_THROW_GMX(sc_.parseFromString("group \"GrpB\""), gmx::InconsistentInputError);
 527 }
 528
 529 TEST_F(SelectionCollectionTest, HandlesOutOfRangeAtomIndexInGroupDelayed)
 530 {
 531     ASSERT_NO_THROW_GMX(loadIndexGroups("simple.ndx"));
 532     ASSERT_NO_THROW_GMX(sc_.parseFromString("group \"GrpB\""));
 533     EXPECT_THROW_GMX(sc_.setTopology(NULL, 5), gmx::InconsistentInputError);
 534 }
 535
 536 TEST_F(SelectionCollectionTest, HandlesOutOfRangeAtomIndexInGroupDelayed2)
 537 {
 538     ASSERT_NO_THROW_GMX(sc_.setTopology(NULL, 5));
 539     ASSERT_NO_THROW_GMX(sc_.parseFromString("group \"GrpB\""));
 540     EXPECT_THROW_GMX(loadIndexGroups("simple.ndx"), gmx::InconsistentInputError);
 541 }
 542
 543 TEST_F(SelectionCollectionTest, RecoversFromMissingMoleculeInfo)
 544 {
 545     ASSERT_NO_THROW_GMX(sc_.parseFromString("molindex 1 to 5"));
 546     ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
 547     EXPECT_THROW_GMX(sc_.compile(), gmx::InconsistentInputError);
 548 }
 549
 550 TEST_F(SelectionCollectionTest, RecoversFromMissingAtomTypes)
 551 {
 552     ASSERT_NO_THROW_GMX(sc_.parseFromString("type CA"));
 553     ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
 554     EXPECT_THROW_GMX(sc_.compile(), gmx::InconsistentInputError);
 555 }
 556
 557 TEST_F(SelectionCollectionTest, RecoversFromMissingPDBInfo)
 558 {
 559     ASSERT_NO_THROW_GMX(sc_.parseFromString("altloc A"));
 560     ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
 561     EXPECT_THROW_GMX(sc_.compile(), gmx::InconsistentInputError);
 562 }
 563
 564 TEST_F(SelectionCollectionTest, RecoversFromInvalidPermutation)
 565 {
 566     ASSERT_NO_THROW_GMX(sc_.parseFromString("all permute 1 1"));
 567     ASSERT_NO_FATAL_FAILURE(setAtomCount(10));
 568     EXPECT_THROW_GMX(sc_.compile(), gmx::InvalidInputError);
 569 }
 570
 571 TEST_F(SelectionCollectionTest, RecoversFromInvalidPermutation2)
 572 {
 573     ASSERT_NO_THROW_GMX(sc_.parseFromString("all permute 3 2 1"));
 574     ASSERT_NO_FATAL_FAILURE(setAtomCount(10));
 575     EXPECT_THROW_GMX(sc_.compile(), gmx::InconsistentInputError);
 576 }
 577
 578 TEST_F(SelectionCollectionTest, RecoversFromInvalidPermutation3)
 579 {
 580     ASSERT_NO_THROW_GMX(sc_.parseFromString("x < 1.5 permute 3 2 1"));
 581     ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
 582     ASSERT_NO_THROW_GMX(sc_.compile());
 583     EXPECT_THROW_GMX(sc_.evaluate(frame_, NULL), gmx::InconsistentInputError);
 584 }
 585
 586 // TODO: Tests for evaluation errors
 587
 588
 589 /********************************************************************
 590  * Tests for selection keywords
 591  */
 592
 593 TEST_F(SelectionCollectionDataTest, HandlesAllNone)
 594 {
 595     static const char * const selections[] = {
 596         "all",
 597         "none"
 598     };
 599     runTest(10, selections);
 600 }
 601
 602 TEST_F(SelectionCollectionDataTest, HandlesAtomnr)
 603 {
 604     static const char * const selections[] = {
 605         "atomnr 1 to 3 6 to 8",
 606         "atomnr 4 2 5 to 7",
 607         "atomnr <= 5"
 608     };
 609     runTest(10, selections);
 610 }
 611
 612 TEST_F(SelectionCollectionDataTest, HandlesResnr)
 613 {
 614     static const char * const selections[] = {
 615         "resnr 1 2 5",
 616         "resid 4 to 3"
 617     };
 618     runTest("simple.gro", selections);
 619 }
 620
 621 TEST_F(SelectionCollectionDataTest, HandlesResIndex)
 622 {
 623     static const char * const selections[] = {
 624         "resindex 1 4",
 625         "residue 1 3"
 626     };
 627     runTest("simple.pdb", selections);
 628 }
 629
 630 TEST_F(SelectionCollectionDataTest, HandlesMolIndex)
 631 {
 632     static const char * const selections[] = {
 633         "molindex 1 4",
 634         "molecule 2 3 5"
 635     };
 636     ASSERT_NO_FATAL_FAILURE(runParser(selections));
 637     ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
 638     topManager_.initUniformMolecules(3);
 639     ASSERT_NO_FATAL_FAILURE(runCompiler());
 640 }
 641
 642 TEST_F(SelectionCollectionDataTest, HandlesAtomname)
 643 {
 644     static const char * const selections[] = {
 645         "name CB",
 646         "atomname S1 S2"
 647     };
 648     runTest("simple.gro", selections);
 649 }
 650
 651 TEST_F(SelectionCollectionDataTest, HandlesPdbAtomname)
 652 {
 653     static const char * const selections[] = {
 654         "name HG21",
 655         "name 1HG2",
 656         "pdbname HG21 CB",
 657         "pdbatomname 1HG2"
 658     };
 659     runTest("simple.pdb", selections);
 660 }
 661
 662
 663 TEST_F(SelectionCollectionDataTest, HandlesAtomtype)
 664 {
 665     static const char * const selections[] = {
 666         "atomtype CA"
 667     };
 668     ASSERT_NO_FATAL_FAILURE(runParser(selections));
 669     ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
 670     const char *const types[] = { "CA", "SA", "SB" };
 671     topManager_.initAtomTypes(types);
 672     ASSERT_NO_FATAL_FAILURE(runCompiler());
 673 }
 674
 675 TEST_F(SelectionCollectionDataTest, HandlesChain)
 676 {
 677     static const char * const selections[] = {
 678         "chain A",
 679         "chain B"
 680     };
 681     runTest("simple.pdb", selections);
 682 }
 683
 684 TEST_F(SelectionCollectionDataTest, HandlesMass)
 685 {
 686     static const char * const selections[] = {
 687         "mass > 5"
 688     };
 689     ASSERT_NO_FATAL_FAILURE(runParser(selections));
 690     ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
 691     for (int i = 0; i < top_->atoms.nr; ++i)
 692     {
 693         top_->atoms.atom[i].m = 1.0 + i;
 694     }
 695     ASSERT_NO_FATAL_FAILURE(runCompiler());
 696 }
 697
 698 TEST_F(SelectionCollectionDataTest, HandlesCharge)
 699 {
 700     static const char * const selections[] = {
 701         "charge < 0.5"
 702     };
 703     ASSERT_NO_FATAL_FAILURE(runParser(selections));
 704     ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
 705     for (int i = 0; i < top_->atoms.nr; ++i)
 706     {
 707         top_->atoms.atom[i].q = i / 10.0;
 708     }
 709     ASSERT_NO_FATAL_FAILURE(runCompiler());
 710 }
 711
 712 TEST_F(SelectionCollectionDataTest, HandlesAltLoc)
 713 {
 714     static const char * const selections[] = {
 715         "altloc \" \"",
 716         "altloc A"
 717     };
 718     runTest("simple.pdb", selections);
 719 }
 720
 721 TEST_F(SelectionCollectionDataTest, HandlesInsertCode)
 722 {
 723     static const char * const selections[] = {
 724         "insertcode \" \"",
 725         "insertcode A"
 726     };
 727     runTest("simple.pdb", selections);
 728 }
 729
 730 TEST_F(SelectionCollectionDataTest, HandlesOccupancy)
 731 {
 732     static const char * const selections[] = {
 733         "occupancy 1",
 734         "occupancy < .5"
 735     };
 736     runTest("simple.pdb", selections);
 737 }
 738
 739 TEST_F(SelectionCollectionDataTest, HandlesBeta)
 740 {
 741     static const char * const selections[] = {
 742         "beta 0",
 743         "beta >= 0.3"
 744     };
 745     runTest("simple.pdb", selections);
 746 }
 747
 748 TEST_F(SelectionCollectionDataTest, HandlesResname)
 749 {
 750     static const char * const selections[] = {
 751         "resname RA",
 752         "resname RB RC"
 753     };
 754     runTest("simple.gro", selections);
 755 }
 756
 757 TEST_F(SelectionCollectionDataTest, HandlesCoordinateKeywords)
 758 {
 759     static const char * const selections[] = {
 760         "x < 3",
 761         "y >= 3",
 762         "x {-1 to 2}"
 763     };
 764     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates);
 765     runTest("simple.gro", selections);
 766 }
 767
 768
 769 TEST_F(SelectionCollectionDataTest, HandlesSameResidue)
 770 {
 771     static const char * const selections[] = {
 772         "same residue as atomnr 1 4 12"
 773     };
 774     runTest("simple.gro", selections);
 775 }
 776
 777
 778 TEST_F(SelectionCollectionDataTest, HandlesSameResidueName)
 779 {
 780     static const char * const selections[] = {
 781         "same resname as atomnr 1 14"
 782     };
 783     runTest("simple.gro", selections);
 784 }
 785
 786
 787 TEST_F(SelectionCollectionDataTest, HandlesPositionKeywords)
 788 {
 789     static const char * const selections[] = {
 790         "cog of resnr 1 3",
 791         "res_cog of name CB and resnr 1 3",
 792         "whole_res_cog of name CB and resnr 1 3",
 793         "part_res_cog of x < 3",
 794         "dyn_res_cog of x < 3"
 795     };
 796     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates
 797              | efTestPositionAtoms);
 798     runTest("simple.gro", selections);
 799 }
 800
 801
 802 TEST_F(SelectionCollectionDataTest, HandlesDistanceKeyword)
 803 {
 804     static const char * const selections[] = {
 805         "distance from cog of resnr 1 < 2"
 806     };
 807     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates);
 808     runTest("simple.gro", selections);
 809 }
 810
 811
 812 TEST_F(SelectionCollectionDataTest, HandlesMinDistanceKeyword)
 813 {
 814     static const char * const selections[] = {
 815         "mindistance from resnr 1 < 2"
 816     };
 817     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates);
 818     runTest("simple.gro", selections);
 819 }
 820
 821
 822 TEST_F(SelectionCollectionDataTest, HandlesWithinKeyword)
 823 {
 824     static const char * const selections[] = {
 825         "within 1 of resnr 2"
 826     };
 827     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates);
 828     runTest("simple.gro", selections);
 829 }
 830
 831
 832 TEST_F(SelectionCollectionDataTest, HandlesInSolidAngleKeyword)
 833 {
 834     // Both of these should evaluate to empty on a correct implementation.
 835     static const char * const selections[] = {
 836         "resname TP and not insolidangle center cog of resname C span resname R cutoff 20",
 837         "resname TN and insolidangle center cog of resname C span resname R cutoff 20"
 838     };
 839     setFlags(TestFlags() | efDontTestCompiledAtoms | efTestEvaluation);
 840     runTest("sphere.gro", selections);
 841 }
 842
 843
 844 TEST_F(SelectionCollectionDataTest, HandlesPermuteModifier)
 845 {
 846     static const char * const selections[] = {
 847         "all permute 3 1 2",
 848         "res_cog of resnr 1 to 4 permute 2 1",
 849         "name CB S1 and res_cog x < 3 permute 2 1"
 850     };
 851     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates
 852              | efTestPositionAtoms | efTestPositionMapping);
 853     runTest("simple.gro", selections);
 854 }
 855
 856
 857 TEST_F(SelectionCollectionDataTest, HandlesPlusModifier)
 858 {
 859     static const char * const selections[] = {
 860         "name S2 plus name S1",
 861         "res_cog of resnr 2 plus res_cog of resnr 1 plus res_cog of resnr 3",
 862         "name S1 and y < 3 plus res_cog of x < 2.5"
 863     };
 864     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates
 865              | efTestPositionAtoms | efTestPositionMapping);
 866     runTest("simple.gro", selections);
 867 }
 868
 869
 870 TEST_F(SelectionCollectionDataTest, HandlesMergeModifier)
 871 {
 872     static const char * const selections[] = {
 873         "name S2 merge name S1",
 874         "resnr 1 2 and name S2 merge resnr 1 2 and name S1 merge res_cog of resnr 1 2",
 875         "name S1 and x < 2.5 merge res_cog of x < 2.5"
 876     };
 877     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates
 878              | efTestPositionAtoms | efTestPositionMapping);
 879     runTest("simple.gro", selections);
 880 }
 881
 882
 883 /********************************************************************
 884  * Tests for generic selection evaluation
 885  */
 886
 887 TEST_F(SelectionCollectionDataTest, ComputesMassesAndCharges)
 888 {
 889     static const char * const selections[] = {
 890         "name CB",
 891         "y > 2",
 892         "res_cog of y > 2"
 893     };
 894     setFlags(TestFlags() | efTestEvaluation | efTestPositionAtoms
 895              | efTestPositionMasses | efTestPositionCharges);
 896     ASSERT_NO_FATAL_FAILURE(runParser(selections));
 897     ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
 898     for (int i = 0; i < top_->atoms.nr; ++i)
 899     {
 900         top_->atoms.atom[i].m =   1.0 + i / 100.0;
 901         top_->atoms.atom[i].q = -(1.0 + i / 100.0);
 902     }
 903     ASSERT_NO_FATAL_FAILURE(runCompiler());
 904     ASSERT_NO_FATAL_FAILURE(runEvaluate());
 905     ASSERT_NO_FATAL_FAILURE(runEvaluateFinal());
 906 }
 907
 908 TEST_F(SelectionCollectionDataTest, ComputesMassesAndChargesWithoutTopology)
 909 {
 910     static const char * const selections[] = {
 911         "atomnr 1 to 3 8 to 9",
 912         "y > 2",
 913         "cog of (y > 2)"
 914     };
 915     setFlags(TestFlags() | efTestPositionAtoms
 916              | efTestPositionMasses | efTestPositionCharges);
 917     runTest(10, selections);
 918 }
 919
 920
 921 /********************************************************************
 922  * Tests for selection syntactic constructs
 923  */
 924
 925 TEST_F(SelectionCollectionDataTest, HandlesSelectionNames)
 926 {
 927     static const char * const selections[] = {
 928         "\"GroupSelection\" group \"GrpA\"",
 929         "\"DynamicSelection\" x < 5",
 930         "y < 3"
 931     };
 932     setFlags(TestFlags() | efTestSelectionNames);
 933     ASSERT_NO_THROW_GMX(loadIndexGroups("simple.ndx"));
 934     runTest(10, selections);
 935 }
 936
 937 TEST_F(SelectionCollectionDataTest, HandlesIndexGroupsInSelections)
 938 {
 939     static const char * const selections[] = {
 940         "group \"GrpA\"",
 941         "GrpB",
 942         "1",
 943         "group \"GrpB\" and resname RB"
 944     };
 945     setFlags(TestFlags() | efTestSelectionNames);
 946     ASSERT_NO_THROW_GMX(loadIndexGroups("simple.ndx"));
 947     runTest("simple.gro", selections);
 948 }
 949
 950 TEST_F(SelectionCollectionDataTest, HandlesIndexGroupsInSelectionsDelayed)
 951 {
 952     static const char * const selections[] = {
 953         "group \"GrpA\"",
 954         "GrpB",
 955         "1",
 956         "group \"GrpB\" and resname RB"
 957     };
 958     setFlags(TestFlags() | efTestSelectionNames);
 959     ASSERT_NO_FATAL_FAILURE(runParser(selections));
 960     ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
 961     ASSERT_NO_THROW_GMX(loadIndexGroups("simple.ndx"));
 962     ASSERT_NO_FATAL_FAILURE(runCompiler());
 963 }
 964
 965 TEST_F(SelectionCollectionDataTest, HandlesUnsortedIndexGroupsInSelections)
 966 {
 967     static const char * const selections[] = {
 968         "foo = group \"GrpUnsorted\"",
 969         "group \"GrpUnsorted\"",
 970         "GrpUnsorted",
 971         "2",
 972         "res_cog of group \"GrpUnsorted\"",
 973         "group \"GrpUnsorted\" permute 2 1",
 974         "foo"
 975     };
 976     setFlags(TestFlags() | efTestPositionAtoms | efTestPositionMapping
 977              | efTestSelectionNames);
 978     ASSERT_NO_THROW_GMX(loadIndexGroups("simple.ndx"));
 979     runTest("simple.gro", selections);
 980 }
 981
 982 TEST_F(SelectionCollectionDataTest, HandlesUnsortedIndexGroupsInSelectionsDelayed)
 983 {
 984     static const char * const selections[] = {
 985         "foo = group \"GrpUnsorted\"",
 986         "group \"GrpUnsorted\"",
 987         "GrpUnsorted",
 988         "2",
 989         "res_cog of group \"GrpUnsorted\"",
 990         "group \"GrpUnsorted\" permute 2 1",
 991         "foo"
 992     };
 993     ASSERT_NO_FATAL_FAILURE(runParser(selections));
 994     ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
 995     ASSERT_NO_THROW_GMX(loadIndexGroups("simple.ndx"));
 996     ASSERT_NO_FATAL_FAILURE(runCompiler());
 997 }
 998
 999 TEST_F(SelectionCollectionDataTest, HandlesConstantPositions)
1000 {
1001     static const char * const selections[] = {
1002         "[1, -2, 3.5]"
1003     };
1004     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates);
1005     runTest("simple.gro", selections);
1006 }
1007
1008
1009 TEST_F(SelectionCollectionDataTest, HandlesWithinConstantPositions)
1010 {
1011     static const char * const selections[] = {
1012         "within 1 of [2, 1, 0]"
1013     };
1014     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates);
1015     runTest("simple.gro", selections);
1016 }
1017
1018
1019 TEST_F(SelectionCollectionDataTest, HandlesForcedStringMatchingMode)
1020 {
1021     static const char * const selections[] = {
1022         "name = S1 \"C?\"",
1023         "name ? S1 \"C?\""
1024     };
1025     runTest("simple.gro", selections);
1026 }
1027
1028
1029 TEST_F(SelectionCollectionDataTest, HandlesWildcardMatching)
1030 {
1031     static const char * const selections[] = {
1032         "name \"S?\"",
1033         "name ? \"S?\""
1034     };
1035     runTest("simple.gro", selections);
1036 }
1037
1038
1039 TEST_F(SelectionCollectionDataTest, HandlesRegexMatching)
1040 {
1041     static const char * const selections[] = {
1042         "resname \"R[BD]\"",
1043         "resname ~ \"R[BD]\""
1044     };
1045     if (gmx::Regex::isSupported())
1046     {
1047         runTest("simple.gro", selections);
1048     }
1049 }
1050
1051
1052 TEST_F(SelectionCollectionDataTest, HandlesBasicBoolean)
1053 {
1054     static const char * const selections[] = {
1055         "atomnr 1 to 5 and atomnr 2 to 7",
1056         "atomnr 1 to 5 or not atomnr 3 to 8",
1057         "not not atomnr 1 to 5 and atomnr 2 to 6 and not not atomnr 3 to 7",
1058         "atomnr 1 to 5 and (atomnr 2 to 7 and atomnr 3 to 6)",
1059         "x < 5 and atomnr 1 to 5 and y < 3 and atomnr 2 to 4"
1060     };
1061     runTest(10, selections);
1062 }
1063
1064
1065 TEST_F(SelectionCollectionDataTest, HandlesDynamicAtomValuedParameters)
1066 {
1067     static const char * const selections[] = {
1068         "same residue as (atomnr 3 5 13 or y > 5)",
1069         "(resnr 1 3 5 or x > 10) and same residue as (atomnr 3 5 13 or z > 5)"
1070     };
1071     setFlags(TestFlags() | efTestEvaluation);
1072     runTest("simple.gro", selections);
1073 }
1074
1075
1076 TEST_F(SelectionCollectionDataTest, HandlesEmptySelectionWithUnevaluatedExpressions)
1077 {
1078     static const char * const selections[] = {
1079         "none and x > 2",
1080         "none and same resname as resnr 2"
1081     };
1082     runTest("simple.gro", selections);
1083 }
1084
1085
1086 TEST_F(SelectionCollectionDataTest, HandlesNumericComparisons)
1087 {
1088     static const char * const selections[] = {
1089         "x > 2",
1090         "2 < x",
1091         "y > resnr",
1092         "resnr < 2.5",
1093         "2.5 > resnr"
1094     };
1095     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates);
1096     runTest("simple.gro", selections);
1097 }
1098
1099
1100 TEST_F(SelectionCollectionDataTest, HandlesArithmeticExpressions)
1101 {
1102     static const char * const selections[] = {
1103         "x+1 > 3",
1104         "(y-1)^2 <= 1",
1105         "x+--1 > 3",
1106         "-x+-1 < -3"
1107     };
1108     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates);
1109     runTest("simple.gro", selections);
1110 }
1111
1112
1113 TEST_F(SelectionCollectionDataTest, HandlesNumericVariables)
1114 {
1115     static const char * const selections[] = {
1116         "value = x + y",
1117         "value <= 4",
1118         "index = resnr",
1119         "index < 3"
1120     };
1121     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates);
1122     runTest("simple.gro", selections);
1123 }
1124
1125
1126 TEST_F(SelectionCollectionDataTest, HandlesComplexNumericVariables)
1127 {
1128     static const char * const selections[] = {
1129         "value = x + y",
1130         "resname RA and value <= 4",
1131         "resname RA RB and x < 3 and value <= 4",
1132         "index = atomnr",
1133         "resname RA and index < 3",
1134         "resname RB and y < 3 and index < 6"
1135     };
1136     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates);
1137     runTest("simple.gro", selections);
1138 }
1139
1140
1141 TEST_F(SelectionCollectionDataTest, HandlesPositionVariables)
1142 {
1143     static const char * const selections[] = {
1144         "foo = res_cog of resname RA",
1145         "foo",
1146         "within 1 of foo",
1147         "bar = cog of resname RA",
1148         "bar",
1149         "within 1 of bar"
1150     };
1151     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates);
1152     runTest("simple.gro", selections);
1153 }
1154
1155
1156 TEST_F(SelectionCollectionDataTest, HandlesConstantPositionInVariable)
1157 {
1158     static const char * const selections[] = {
1159         "constpos = [1.0, 2.5, 0.5]",
1160         "constpos",
1161         "within 2 of constpos"
1162     };
1163     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates
1164              | efTestPositionAtoms);
1165     runTest("simple.gro", selections);
1166 }
1167
1168
1169 TEST_F(SelectionCollectionDataTest, HandlesNumericConstantsInVariables)
1170 {
1171     static const char * const selections[] = {
1172         "constint = 4",
1173         "constreal1 = 0.5",
1174         "constreal2 = 2.7",
1175         "resnr < constint",
1176         "x + constreal1 < constreal2"
1177     };
1178     setFlags(TestFlags() | efTestEvaluation | efTestPositionCoordinates);
1179     runTest("simple.gro", selections);
1180 }
1181
1182
1183 /********************************************************************
1184  * Tests for complex boolean syntax
1185  */
1186
1187 TEST_F(SelectionCollectionDataTest, HandlesBooleanStaticAnalysis)
1188 {
1189     static const char * const selections[] = {
1190         "atomnr 1 to 5 and atomnr 2 to 7 and x < 2",
1191         "atomnr 1 to 5 and (atomnr 4 to 7 or x < 2)",
1192         "atomnr 1 to 5 and y < 3 and (atomnr 4 to 7 or x < 2)",
1193         "atomnr 1 to 5 and not (atomnr 4 to 7 or x < 2)",
1194         "atomnr 1 to 5 or (atomnr 4 to 6 and (atomnr 5 to 7 or x < 2))"
1195     };
1196     runTest(10, selections);
1197 }
1198
1199
1200 TEST_F(SelectionCollectionDataTest, HandlesBooleanStaticAnalysisWithVariables)
1201 {
1202     static const char * const selections[] = {
1203         "foo = atomnr 4 to 7 or x < 2",
1204         "atomnr 1 to 4 and foo",
1205         "atomnr 2 to 6 and y < 3 and foo",
1206         "atomnr 6 to 10 and not foo"
1207     };
1208     runTest(10, selections);
1209 }
1210
1211
1212 TEST_F(SelectionCollectionDataTest, HandlesBooleanStaticAnalysisWithMoreVariables)
1213 {
1214     static const char * const selections[] = {
1215         "foo = atomnr 4 to 7",
1216         "bar = foo and x < 2",
1217         "bar2 = foo and y < 2",
1218         "atomnr 1 to 4 and bar",
1219         "atomnr 2 to 6 and y < 3 and bar2",
1220         "atomnr 6 to 10 and not foo"
1221     };
1222     runTest(10, selections);
1223 }
1224
1225
1226 /********************************************************************
1227  * Tests for complex subexpression cases
1228  *
1229  * These tests use some knowledge of the implementation to trigger different
1230  * paths in the code.
1231  */
1232
1233 TEST_F(SelectionCollectionDataTest, HandlesUnusedVariables)
1234 {
1235     static const char * const selections[] = {
1236         "unused1 = atomnr 1 to 3",
1237         "foo = atomnr 4 to 7",
1238         "atomnr 1 to 6 and foo",
1239         "unused2 = atomnr 3 to 5"
1240     };
1241     runTest(10, selections);
1242 }
1243
1244
1245 TEST_F(SelectionCollectionDataTest, HandlesVariablesWithStaticEvaluationGroups)
1246 {
1247     static const char * const selections[] = {
1248         "foo = atomnr 4 to 7 and x < 2",
1249         "atomnr 1 to 5 and foo",
1250         "atomnr 3 to 7 and foo"
1251     };
1252     runTest(10, selections);
1253 }
1254
1255
1256 TEST_F(SelectionCollectionDataTest, HandlesVariablesWithMixedEvaluationGroups)
1257 {
1258     static const char * const selections[] = {
1259         "foo = atomnr 4 to 7 and x < 2",
1260         "atomnr 1 to 6 and foo",
1261         "within 1 of foo",
1262         "foo"
1263     };
1264     runTest(10, selections);
1265 }
1266
1267
1268 TEST_F(SelectionCollectionDataTest, HandlesVariablesWithMixedEvaluationGroups2)
1269 {
1270     static const char * const selections[] = {
1271         "foo = atomnr 1 to 8 and x < 10",
1272         "atomnr 1 to 5 and y < 10 and foo",
1273         "foo"
1274     };
1275     setFlags(TestFlags() | efTestEvaluation);
1276     runTest("simple.gro", selections);
1277 }
1278
1279
1280 } // namespace