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  • TabularUnified src/unittests/AnalysisCorrelationToPointUnitTest.cpp

    re5c0a1 rbf3817  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;
     
    5358  TestMolecule = World::getInstance().createMolecule();
    5459  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. ));
    5762  TestMolecule->AddAtom(Walker);
    5863  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. ));
    6166  TestMolecule->AddAtom(Walker);
    6267  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. ));
    6570  TestMolecule->AddAtom(Walker);
    6671  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. ));
    6974  TestMolecule->AddAtom(Walker);
    7075
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