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src/unittests/AnalysisCorrelationToPointUnitTest.cpp
rd74077 re5c0a1 46 46 47 47 // construct element list 48 std::vector< element *> elements;48 std::vector<const element *> elements; 49 49 hydrogen = World::getInstance().getPeriode()->FindElement(1); 50 50 CPPUNIT_ASSERT(hydrogen != NULL && "hydrogen element not found"); … … 53 53 TestMolecule = World::getInstance().createMolecule(); 54 54 Walker = World::getInstance().createAtom(); 55 Walker-> setType(hydrogen);56 Walker->setPosition(Vector(1., 0., 1. ));55 Walker->type = hydrogen; 56 *Walker->node = Vector(1., 0., 1. ); 57 57 TestMolecule->AddAtom(Walker); 58 58 Walker = World::getInstance().createAtom(); 59 Walker-> setType(hydrogen);60 Walker->setPosition(Vector(0., 1., 1. ));59 Walker->type = hydrogen; 60 *Walker->node = Vector(0., 1., 1. ); 61 61 TestMolecule->AddAtom(Walker); 62 62 Walker = World::getInstance().createAtom(); 63 Walker-> setType(hydrogen);64 Walker->setPosition(Vector(1., 1., 0. ));63 Walker->type = hydrogen; 64 *Walker->node = Vector(1., 1., 0. ); 65 65 TestMolecule->AddAtom(Walker); 66 66 Walker = World::getInstance().createAtom(); 67 Walker-> setType(hydrogen);68 Walker->setPosition(Vector(0., 0., 0. ));67 Walker->type = hydrogen; 68 *Walker->node = Vector(0., 0., 0. ); 69 69 TestMolecule->AddAtom(Walker); 70 70
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