/*
* Copyright 2009-2020 The VOTCA Development Team (http://www.votca.org)
*
* Licensed under the Apache License, Version 2.0 (the "License");
* you may not use this file except in compliance with the License.
*
* http://www.apache.org/licenses/LICENSE-2.0
*
* Unless required by applicable law or agreed to in writing, software
* distributed under the License is distributed on an "AS IS" BASIS,
* WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
* See the License for the specific language governing permissions and
* limitations under the License.
*
*/
#define BOOST_TEST_MAIN
#define BOOST_TEST_MODULE qmpair_test
// Third party includes
#include <boost/test/unit_test.hpp>
// Local VOTCA includes
#include <votca/xtp/qmpair.h>
using namespace votca::tools;
using namespace votca::xtp;
BOOST_AUTO_TEST_SUITE(qmpair_test)
BOOST_AUTO_TEST_CASE(getters_test) {
Segment seg("one", 1);
Atom atm1(1, "C", Eigen::Vector3d::Ones());
seg.push_back(atm1);
Segment seg2("two", 2);
Atom atm2(2, "C", -Eigen::Vector3d::Ones());
seg2.push_back(atm2);
QMPair pair(0, &seg, &seg2, 0.5 * Eigen::Vector3d::Ones());
pair.setType(QMPair::PairType::Hopping);
BOOST_CHECK_EQUAL(pair.getType(), QMPair::Hopping);
}
BOOST_AUTO_TEST_SUITE_END()