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src/unittests/AnalysisPairCorrelationUnitTest.cpp
re65de8 rd74077 58 58 TestMolecule = World::getInstance().createMolecule(); 59 59 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. )); 62 62 TestMolecule->AddAtom(Walker); 63 63 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. )); 66 66 TestMolecule->AddAtom(Walker); 67 67 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. )); 70 70 TestMolecule->AddAtom(Walker); 71 71 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. )); 74 74 TestMolecule->AddAtom(Walker); 75 75
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