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src/unittests/AnalysisCorrelationToPointUnitTest.cpp
r920c70 rc78d44 44 44 point = NULL; 45 45 46 // construct molecule (tetraeder of hydrogens) 46 // construct element list 47 std::vector<element *> elements; 47 48 hydrogen = World::getInstance().getPeriode()->FindElement(1); 48 49 CPPUNIT_ASSERT(hydrogen != NULL && "hydrogen element not found"); 50 elements.push_back(hydrogen); 51 // construct molecule (tetraeder of hydrogens) 49 52 TestMolecule = World::getInstance().createMolecule(); 50 53 Walker = World::getInstance().createAtom(); … … 66 69 67 70 // check that TestMolecule was correctly constructed 68 CPPUNIT_ASSERT_EQUAL( TestMolecule-> AtomCount, 4 );71 CPPUNIT_ASSERT_EQUAL( TestMolecule->getAtomCount(), 4 ); 69 72 70 73 TestList = World::getInstance().getMolecules(); … … 76 79 77 80 // 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 ); 79 82 binmap = NULL; 80 83
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