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TabularUnified src/unittests/AnalysisCorrelationToPointUnitTest.cpp ¶
re5c0a1 rbf3817 5 5 * Author: heber 6 6 */ 7 8 // include config.h 9 #ifdef HAVE_CONFIG_H 10 #include <config.h> 11 #endif 7 12 8 13 using namespace std; … … 53 58 TestMolecule = World::getInstance().createMolecule(); 54 59 Walker = World::getInstance().createAtom(); 55 Walker-> type = hydrogen;56 *Walker->node = Vector(1., 0., 1.);60 Walker->setType(hydrogen); 61 Walker->setPosition(Vector(1., 0., 1. )); 57 62 TestMolecule->AddAtom(Walker); 58 63 Walker = World::getInstance().createAtom(); 59 Walker-> type = hydrogen;60 *Walker->node = Vector(0., 1., 1.);64 Walker->setType(hydrogen); 65 Walker->setPosition(Vector(0., 1., 1. )); 61 66 TestMolecule->AddAtom(Walker); 62 67 Walker = World::getInstance().createAtom(); 63 Walker-> type = hydrogen;64 *Walker->node = Vector(1., 1., 0.);68 Walker->setType(hydrogen); 69 Walker->setPosition(Vector(1., 1., 0. )); 65 70 TestMolecule->AddAtom(Walker); 66 71 Walker = World::getInstance().createAtom(); 67 Walker-> type = hydrogen;68 *Walker->node = Vector(0., 0., 0.);72 Walker->setType(hydrogen); 73 Walker->setPosition(Vector(0., 0., 0. )); 69 74 TestMolecule->AddAtom(Walker); 70 75
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