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  • src/unittests/MoleculeDescriptorTest.cpp

    r57adc7 r23b547  
    2929// set up and tear down
    3030void MoleculeDescriptorTest::setUp(){
    31   World::get();
     31  World::getInstance();
    3232  for(int i=0;i<MOLECULE_COUNT;++i){
    33     molecules[i]= World::get()->createMolecule();
     33    molecules[i]= World::getInstance().createMolecule();
    3434    moleculeIds[i]= molecules[i]->getId();
    3535  }
     
    3737
    3838void MoleculeDescriptorTest::tearDown(){
    39   World::destroy();
     39  World::purgeInstance();
    4040}
    4141
     
    7373
    7474void MoleculeDescriptorTest::MoleculeBaseSetsTest(){
    75   std::vector<molecule*> allMolecules = World::get()->getAllMolecules(AllMolecules());
     75  std::vector<molecule*> allMolecules = World::getInstance().getAllMolecules(AllMolecules());
    7676  CPPUNIT_ASSERT_EQUAL( true , hasAllMolecules(allMolecules,moleculeIds));
    7777  CPPUNIT_ASSERT_EQUAL( true , hasNoDuplicateMolecules(allMolecules));
    7878
    79   std::vector<molecule*> noMolecules = World::get()->getAllMolecules(NoMolecules());
     79  std::vector<molecule*> noMolecules = World::getInstance().getAllMolecules(NoMolecules());
    8080  CPPUNIT_ASSERT_EQUAL( true , noMolecules.empty());
    8181}
     
    8383  // test Molecules from boundaries and middle of the set
    8484  molecule* testMolecule;
    85   testMolecule = World::get()->getMolecule(MoleculeById(moleculeIds[0]));
     85  testMolecule = World::getInstance().getMolecule(MoleculeById(moleculeIds[0]));
    8686  CPPUNIT_ASSERT(testMolecule);
    8787  CPPUNIT_ASSERT_EQUAL( moleculeIds[0], testMolecule->getId());
    88   testMolecule = World::get()->getMolecule(MoleculeById(moleculeIds[MOLECULE_COUNT/2]));
     88  testMolecule = World::getInstance().getMolecule(MoleculeById(moleculeIds[MOLECULE_COUNT/2]));
    8989  CPPUNIT_ASSERT(testMolecule);
    9090  CPPUNIT_ASSERT_EQUAL( moleculeIds[MOLECULE_COUNT/2], testMolecule->getId());
    91   testMolecule = World::get()->getMolecule(MoleculeById(moleculeIds[MOLECULE_COUNT-1]));
     91  testMolecule = World::getInstance().getMolecule(MoleculeById(moleculeIds[MOLECULE_COUNT-1]));
    9292  CPPUNIT_ASSERT(testMolecule);
    9393  CPPUNIT_ASSERT_EQUAL( moleculeIds[MOLECULE_COUNT-1], testMolecule->getId());
     
    103103  }
    104104  // test from outside of set
    105   testMolecule = World::get()->getMolecule(MoleculeById(outsideId));
     105  testMolecule = World::getInstance().getMolecule(MoleculeById(outsideId));
    106106  CPPUNIT_ASSERT(!testMolecule);
    107107}
     
    109109  // test some elementary set operations
    110110  {
    111     std::vector<molecule*> testMolecules = World::get()->getAllMolecules(AllMolecules()||NoMolecules());
     111    std::vector<molecule*> testMolecules = World::getInstance().getAllMolecules(AllMolecules()||NoMolecules());
    112112    CPPUNIT_ASSERT_EQUAL( true , hasAllMolecules(testMolecules,moleculeIds));
    113113    CPPUNIT_ASSERT_EQUAL( true , hasNoDuplicateMolecules(testMolecules));
     
    115115
    116116  {
    117     std::vector<molecule*> testMolecules = World::get()->getAllMolecules(NoMolecules()||AllMolecules());
     117    std::vector<molecule*> testMolecules = World::getInstance().getAllMolecules(NoMolecules()||AllMolecules());
    118118    CPPUNIT_ASSERT_EQUAL( true , hasAllMolecules(testMolecules,moleculeIds));
    119119    CPPUNIT_ASSERT_EQUAL( true , hasNoDuplicateMolecules(testMolecules));
     
    121121
    122122  {
    123     std::vector<molecule*> testMolecules = World::get()->getAllMolecules(NoMolecules()&&AllMolecules());
     123    std::vector<molecule*> testMolecules = World::getInstance().getAllMolecules(NoMolecules()&&AllMolecules());
    124124    CPPUNIT_ASSERT_EQUAL( true , testMolecules.empty());
    125125  }
    126126
    127127  {
    128     std::vector<molecule*> testMolecules = World::get()->getAllMolecules(AllMolecules()&&NoMolecules());
     128    std::vector<molecule*> testMolecules = World::getInstance().getAllMolecules(AllMolecules()&&NoMolecules());
    129129    CPPUNIT_ASSERT_EQUAL( true , testMolecules.empty());
    130130  }
    131131
    132132  {
    133     std::vector<molecule*> testMolecules = World::get()->getAllMolecules(!AllMolecules());
     133    std::vector<molecule*> testMolecules = World::getInstance().getAllMolecules(!AllMolecules());
    134134    CPPUNIT_ASSERT_EQUAL( true , testMolecules.empty());
    135135  }
    136136
    137137  {
    138     std::vector<molecule*> testMolecules = World::get()->getAllMolecules(!NoMolecules());
     138    std::vector<molecule*> testMolecules = World::getInstance().getAllMolecules(!NoMolecules());
    139139    CPPUNIT_ASSERT_EQUAL( true , hasAllMolecules(testMolecules,moleculeIds));
    140140    CPPUNIT_ASSERT_EQUAL( true , hasNoDuplicateMolecules(testMolecules));
     
    143143  // exclude and include some molecules
    144144  {
    145     std::vector<molecule*> testMolecules = World::get()->getAllMolecules(AllMolecules()&&(!MoleculeById(moleculeIds[MOLECULE_COUNT/2])));
     145    std::vector<molecule*> testMolecules = World::getInstance().getAllMolecules(AllMolecules()&&(!MoleculeById(moleculeIds[MOLECULE_COUNT/2])));
    146146    std::set<moleculeId_t> excluded;
    147147    excluded.insert(moleculeIds[MOLECULE_COUNT/2]);
     
    152152
    153153  {
    154     std::vector<molecule*> testMolecules = World::get()->getAllMolecules(NoMolecules()||(MoleculeById(moleculeIds[MOLECULE_COUNT/2])));
     154    std::vector<molecule*> testMolecules = World::getInstance().getAllMolecules(NoMolecules()||(MoleculeById(moleculeIds[MOLECULE_COUNT/2])));
    155155    CPPUNIT_ASSERT_EQUAL( (size_t)1, testMolecules.size());
    156156    CPPUNIT_ASSERT_EQUAL( moleculeIds[MOLECULE_COUNT/2], testMolecules[0]->getId());
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