/*
* Copyright 2009-2019 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 hist_test
#include <boost/test/floating_point_comparison.hpp>
#include <boost/test/unit_test.hpp>
#include <iostream>
#include <votca/xtp/hist.h>
using namespace votca::xtp;
using namespace std;
BOOST_AUTO_TEST_SUITE(hist_test)
BOOST_AUTO_TEST_CASE(readwrite_hdf5) {
hist<double> h;
BOOST_CHECK_EQUAL(h.filled(), false);
h.push_back(1.0);
BOOST_CHECK_EQUAL(h.filled(), true);
BOOST_CHECK_CLOSE(h.getDiff(), 1.0, 1e-9);
h.push_back(1.5);
BOOST_CHECK_CLOSE(h.getDiff(), 0.5, 1e-9);
BOOST_CHECK_EQUAL(h.filled(), true);
{
CheckpointFile f("hist_test.hdf5");
CheckpointWriter w = f.getWriter();
h.WriteToCpt(w);
}
hist<double> h2;
CheckpointFile f("hist_test.hdf5");
CheckpointReader r = f.getReader();
h2.ReadFromCpt(r);
BOOST_CHECK_CLOSE(h.getDiff(), h2.getDiff(), 1e-9);
BOOST_CHECK_CLOSE(h.back(), h2.back(), 1e-9);
BOOST_CHECK_EQUAL(h.filled(), h2.filled());
Energy_terms t;
t.E_indu_indu() = 1.0;
hist<Energy_terms> a;
a.push_back(t);
CheckpointFile ff("hist_test2.hdf5");
CheckpointWriter ww = ff.getWriter();
a.WriteToCpt(ww);
hist<Energy_terms> aa;
CheckpointReader rr = ff.getReader();
aa.ReadFromCpt(rr);
bool is_close = aa.getDiff().data().isApprox(a.getDiff().data(), 1e-9);
BOOST_CHECK_EQUAL(is_close, true);
}
BOOST_AUTO_TEST_SUITE_END()