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  • src/unittests/AnalysisPairCorrelationUnitTest.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;
     
    5863  TestMolecule = World::getInstance().createMolecule();
    5964  Walker = World::getInstance().createAtom();
    60   Walker->type = hydrogen;
    61   *Walker->node = Vector(1., 0., 1. );
     65  Walker->setType(hydrogen);
     66  Walker->setPosition(Vector(1., 0., 1. ));
    6267  TestMolecule->AddAtom(Walker);
    6368  Walker = World::getInstance().createAtom();
    64   Walker->type = hydrogen;
    65   *Walker->node = Vector(0., 1., 1. );
     69  Walker->setType(hydrogen);
     70  Walker->setPosition(Vector(0., 1., 1. ));
    6671  TestMolecule->AddAtom(Walker);
    6772  Walker = World::getInstance().createAtom();
    68   Walker->type = hydrogen;
    69   *Walker->node = Vector(1., 1., 0. );
     73  Walker->setType(hydrogen);
     74  Walker->setPosition(Vector(1., 1., 0. ));
    7075  TestMolecule->AddAtom(Walker);
    7176  Walker = World::getInstance().createAtom();
    72   Walker->type = hydrogen;
    73   *Walker->node = Vector(0., 0., 0. );
     77  Walker->setType(hydrogen);
     78  Walker->setPosition(Vector(0., 0., 0. ));
    7479  TestMolecule->AddAtom(Walker);
    7580
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