/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2012 University of Bonn. All rights reserved. * * * This file is part of MoleCuilder. * * MoleCuilder is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 2 of the License, or * (at your option) any later version. * * MoleCuilder is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with MoleCuilder. If not, see . */ /* * HomologyContainerUnitTest.cpp * * Created on: Sep 22, 2012 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif using namespace std; #include #include #include // include headers that implement a archive in simple text format #include #include #include #include "Fragmentation/Homology/HomologyContainer.hpp" #include "Fragmentation/Graph.hpp" #include "HomologyContainerUnitTest.hpp" #include using namespace boost::assign; #ifdef HAVE_TESTRUNNER #include "UnitTestMain.hpp" #endif /*HAVE_TESTRUNNER*/ /********************************************** Test classes **************************************/ // Registers the fixture into the 'registry' CPPUNIT_TEST_SUITE_REGISTRATION( HomologyContainerTest ); void HomologyContainerTest::setUp() { // add nodes nodes += std::make_pair(FragmentNode(1,1),1), std::make_pair(FragmentNode(1,4),1), std::make_pair(FragmentNode(2,2),1), std::make_pair(FragmentNode(2,4),1); othernodes += std::make_pair(FragmentNode(1,1),1), std::make_pair(FragmentNode(1,4),1); // add edges edges += std::make_pair(FragmentEdge(1,1),1), std::make_pair(FragmentEdge(1,4),1), std::make_pair(FragmentEdge(2,2),1), std::make_pair(FragmentEdge(2,4),1); otheredges += std::make_pair(FragmentEdge(1,4),1), std::make_pair(FragmentEdge(2,2),1); // construct graphs HomologyGraph graph(nodes, edges); HomologyGraph othergraph(othernodes, otheredges); // place in container Fragment::position_t pos(3, 0.); Fragment::positions_t positions(1, pos); Fragment::atomicnumbers_t atomicnumbers(1,1.); Fragment::charges_t charges(1,1.); Fragment dummy(positions, atomicnumbers, charges); charges[0] = 6.; positions[0][0] = 1.; Fragment dummy1(positions, atomicnumbers, charges); positions[0][0] = 2.; Fragment dummy2(positions, atomicnumbers, charges); HomologyContainer::value_t value1; value1.fragment = dummy1; value1.energy = 1.; HomologyContainer::value_t value2; value2.fragment = dummy2; value2.energy = 1.5; HomologyContainer::value_t value3; value3.fragment = dummy; value3.energy = 2.; container += std::make_pair( graph, value1 ), std::make_pair( graph, value2 ), std::make_pair( othergraph, value3 ); // create HomologyContainer Keys = new HomologyContainer(container); } void HomologyContainerTest::tearDown() { delete Keys; } /** UnitTest for whether homologies are correctly recognized */ void HomologyContainerTest::InsertionTest() { // construct graphs HomologyGraph graph(nodes, edges); HomologyContainer::container_t newcontainer; Fragment::position_t pos(3, 0.); Fragment::positions_t positions(1, pos); Fragment::atomicnumbers_t atomicnumbers(1,1.); Fragment::charges_t charges(1,1.); Fragment dummy(positions, atomicnumbers, charges); HomologyContainer::value_t value; value.fragment = dummy; value.energy = 1.; newcontainer += std::make_pair( graph, value ); Keys->insert(newcontainer); CPPUNIT_ASSERT_EQUAL( (size_t)4, Keys->container.size() ); } /** UnitTest for operator==() works correctly. */ void HomologyContainerTest::EqualityTest() { // compare same container CPPUNIT_ASSERT( *Keys == *Keys ); // construct other container HomologyGraph graph(nodes, edges); HomologyContainer::container_t newcontainer; Fragment::position_t pos(3, 0.); Fragment::positions_t positions(1, pos); Fragment::atomicnumbers_t atomicnumbers(1,1.); Fragment::charges_t charges(1,1.); Fragment dummy(positions, atomicnumbers, charges); HomologyContainer::value_t value; value.fragment = dummy; value.energy = 1.; newcontainer += std::make_pair( graph, value ); HomologyContainer other(newcontainer); CPPUNIT_ASSERT( *Keys != other ); } /** UnitTest for serialization */ void HomologyContainerTest::serializeTest() { // serialize std::stringstream outputstream; boost::archive::text_oarchive oa(outputstream); oa << Keys; // deserialize HomologyContainer *samekeys = NULL; std::stringstream returnstream(outputstream.str()); boost::archive::text_iarchive ia(returnstream); ia >> samekeys; CPPUNIT_ASSERT( samekeys != NULL ); //std::cout << *Keys << std::endl; CPPUNIT_ASSERT_EQUAL( *Keys, *samekeys ); delete samekeys; }