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src/unittests/AnalysisCorrelationToPointUnitTest.cpp
rc78d44 r920c70 44 44 point = NULL; 45 45 46 // construct element list 47 std::vector<element *> elements; 46 // construct molecule (tetraeder of hydrogens) 48 47 hydrogen = World::getInstance().getPeriode()->FindElement(1); 49 48 CPPUNIT_ASSERT(hydrogen != NULL && "hydrogen element not found"); 50 elements.push_back(hydrogen);51 // construct molecule (tetraeder of hydrogens)52 49 TestMolecule = World::getInstance().createMolecule(); 53 50 Walker = World::getInstance().createAtom(); … … 69 66 70 67 // check that TestMolecule was correctly constructed 71 CPPUNIT_ASSERT_EQUAL( TestMolecule-> getAtomCount(), 4 );68 CPPUNIT_ASSERT_EQUAL( TestMolecule->AtomCount, 4 ); 72 69 73 70 TestList = World::getInstance().getMolecules(); … … 79 76 80 77 // init maps 81 pointmap = CorrelationToPoint( (MoleculeListClass * const)TestList, elements, (const Vector *)point );78 pointmap = CorrelationToPoint( (MoleculeListClass * const)TestList, (const element * const)hydrogen, (const Vector *)point ); 82 79 binmap = NULL; 83 80
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