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/*
 * Copyright 2009-2018 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 polarsegment_test
#include <boost/test/unit_test.hpp>
#include <votca/xtp/polarsegment.h>

using namespace votca::xtp;
using namespace std;


BOOST_AUTO_TEST_SUITE(polarsegment_test)

BOOST_AUTO_TEST_CASE(constructors_test) { PolarSegment("seg1",0); }

BOOST_AUTO_TEST_CASE(load_mps) {
    
 PolarSegment seg=   PolarSegment("seg1",0);
 std::ofstream mpsfile("polarsite.mps");
mpsfile<<"! One Site"<<endl;
mpsfile<<"! N=1 "<<endl;
mpsfile<<"Units angstrom"<<endl;
mpsfile<<"  C +0 0 3 Rank 2"<<endl;
mpsfile<<"+1"<<endl;
mpsfile<<"10 0 0"<<endl;
mpsfile<<"     100 0 0 0 0"<<endl;
mpsfile<<"P +1.9445387 +0.0000000 +0.0000000 +1.9445387 +0.0000000 +1.9445387 "<<endl;

seg.LoadFromMPS("polarsite.mps");
Eigen::Vector3d ref_pos=Eigen::Vector3d(0,0,3*votca::tools::conv::ang2bohr);

bool is_equal=seg.getPos().isApprox(ref_pos,0.0001);
if(!is_equal){
    std::cout<<"result"<<std::endl;
    std::cout<<seg.getPos()<<std::endl;
    std::cout<<"reference"<<std::endl;
    std::cout<<ref_pos<<std::endl;   
}

BOOST_CHECK_EQUAL(is_equal,true);

BOOST_CHECK_EQUAL(seg[0].getRank(),2);
BOOST_CHECK_EQUAL(seg[0].getElement(),"C");

Eigen::VectorXd mul_ref=Eigen::VectorXd::Zero(9);
mul_ref<<1,10,0,0,100,0,0,0,0;
bool multipoles_equal=mul_ref.isApprox(seg[0].getPermMultipole(),1e-5);
if(!multipoles_equal){
    std::cout<<"result"<<std::endl;
    std::cout<<seg[0].getPermMultipole()<<std::endl;
    std::cout<<"reference"<<std::endl;
    std::cout<<mul_ref<<std::endl;
}

std::string ref_string="  C +0.0000000 +0.0000000 +3.0000000 Rank 2\n"
"    +1.0000000\n"
"    +10.0000000 +0.0000000 +0.0000000\n"
"    +100.0000000 +0.0000000 +0.0000000 +0.0000000 +0.0000000\n"
"     P +1.9445387 +0.0000000 +0.0000000 +1.9445387 +0.0000000 +1.9445387\n";
bool string_equal=(ref_string==seg[0].WriteMpsLine("angstrom"));
if(!string_equal){
    std::string result=seg[0].WriteMpsLine("angstrom");
    std::cout<<"result"<<std::endl;
    std::cout<<result<<std::endl;
    std::cout<<"reference"<<std::endl;
    std::cout<<ref_string<<std::endl;
}

BOOST_CHECK_EQUAL(string_equal,true);
}

BOOST_AUTO_TEST_CASE(add_atom_test){
PolarSegment seg=   PolarSegment("seg1",0);
Eigen::Vector3d pos=Eigen::Vector3d::Zero();
PolarSite site=PolarSite(0,"C",pos);
Eigen::VectorXd poles=Eigen::VectorXd::Ones(9);
site.setMultipole(poles);
seg.push_back(site);
 
}


BOOST_AUTO_TEST_SUITE_END()