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  • src/unittests/AnalysisCorrelationToPointUnitTest.cpp

    r920c70 rc78d44  
    4444  point = NULL;
    4545
    46   // construct molecule (tetraeder of hydrogens)
     46  // construct element list
     47  std::vector<element *> elements;
    4748  hydrogen = World::getInstance().getPeriode()->FindElement(1);
    4849  CPPUNIT_ASSERT(hydrogen != NULL && "hydrogen element not found");
     50  elements.push_back(hydrogen);
     51  // construct molecule (tetraeder of hydrogens)
    4952  TestMolecule = World::getInstance().createMolecule();
    5053  Walker = World::getInstance().createAtom();
     
    6669
    6770  // check that TestMolecule was correctly constructed
    68   CPPUNIT_ASSERT_EQUAL( TestMolecule->AtomCount, 4 );
     71  CPPUNIT_ASSERT_EQUAL( TestMolecule->getAtomCount(), 4 );
    6972
    7073  TestList = World::getInstance().getMolecules();
     
    7679
    7780  // init maps
    78   pointmap = CorrelationToPoint( (MoleculeListClass * const)TestList, (const element * const)hydrogen, (const Vector *)point );
     81  pointmap = CorrelationToPoint( (MoleculeListClass * const)TestList, elements, (const Vector *)point );
    7982  binmap = NULL;
    8083
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