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  • src/unittests/AnalysisPairCorrelationUnitTest.cpp

    re65de8 rd74077  
    5858  TestMolecule = World::getInstance().createMolecule();
    5959  Walker = World::getInstance().createAtom();
    60   Walker->type = hydrogen;
    61   *Walker->node = Vector(1., 0., 1. );
     60  Walker->setType(hydrogen);
     61  Walker->setPosition(Vector(1., 0., 1. ));
    6262  TestMolecule->AddAtom(Walker);
    6363  Walker = World::getInstance().createAtom();
    64   Walker->type = hydrogen;
    65   *Walker->node = Vector(0., 1., 1. );
     64  Walker->setType(hydrogen);
     65  Walker->setPosition(Vector(0., 1., 1. ));
    6666  TestMolecule->AddAtom(Walker);
    6767  Walker = World::getInstance().createAtom();
    68   Walker->type = hydrogen;
    69   *Walker->node = Vector(1., 1., 0. );
     68  Walker->setType(hydrogen);
     69  Walker->setPosition(Vector(1., 1., 0. ));
    7070  TestMolecule->AddAtom(Walker);
    7171  Walker = World::getInstance().createAtom();
    72   Walker->type = hydrogen;
    73   *Walker->node = Vector(0., 0., 0. );
     72  Walker->setType(hydrogen);
     73  Walker->setPosition(Vector(0., 0., 0. ));
    7474  TestMolecule->AddAtom(Walker);
    7575
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