/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 2010-2012 University of Bonn. All rights reserved.
* Copyright (C) 2013 Frederik Heber. 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 .
*/
/*
* AdjacencyListUnitTest.cpp
*
* Created on: Oct 17, 2011
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
#include "AdjacencyListUnitTest.hpp"
#include
#include
#include
#include
#include
#include
#include
#include
#include "CodePatterns/Assert.hpp"
#include "CodePatterns/Log.hpp"
#include "Atom/atom.hpp"
#include "Descriptors/AtomDescriptor.hpp"
#include "Element/element.hpp"
#include "Element/periodentafel.hpp"
#include "Graph/AdjacencyList.hpp"
#include "molecule.hpp"
#include "World.hpp"
#include "WorldTime.hpp"
#ifdef HAVE_TESTRUNNER
#include "UnitTestMain.hpp"
#endif /*HAVE_TESTRUNNER*/
/********************************************** Test classes **************************************/
// Registers the fixture into the 'registry'
CPPUNIT_TEST_SUITE_REGISTRATION( AdjacencyListTest );
const std::string adjacencyfile ="\
1 2\n\
2 1 3\n\
3 2 4\n\
4 3 5\n\
5 4 6\n\
6 5 7\n\
7 6 8\n\
8 7 9\n\
9 8 10\n\
10 9\n";
const std::string wrongadjacencyfile1 ="\
1 2\n\
2 1\n\
4 5\n\
5 4 6\n\
6 5 7\n\
7 6 8\n\
8 7 9\n\
9 8 10\n\
10 9\n";
const std::string wrongadjacencyfile2 ="\
1 2\n\
2 1 3\n\
3 2 4\n\
4 3 5\n\
5 4 6\n\
6 5 7\n\
7 6 8\n\
8 7 9\n\
9 8 10\n\
10 9 11\n\
11 10\n";
const std::string wrongadjacencyfile3 ="\
1 2\n\
2 1 3\n\
3 2 4\n\
4 3 5\n\
5 4 7\n\
6\n\
7 5 8\n\
8 7 9\n\
9 8 10\n\
10 9\n";
// set up and tear down
void AdjacencyListTest::setUp()
{
// failing asserts should be thrown
ASSERT_DO(Assert::Throw);
const element *hydrogen = World::getInstance().getPeriode()->FindElement(1);
CPPUNIT_ASSERT(hydrogen != NULL);
TestMolecule = World::getInstance().createMolecule();
CPPUNIT_ASSERT(TestMolecule != NULL);
for(int i=0;isetType(hydrogen);
TestMolecule->AddAtom(_atom);
atoms.push_back(_atom);
atomIds.push_back(_atom->getId());
}
CPPUNIT_ASSERT_EQUAL( (size_t)ATOM_COUNT, atoms.size());
CPPUNIT_ASSERT_EQUAL( (size_t)ATOM_COUNT, atomIds.size());
// create linear chain
for(int i=0;iaddBond(WorldTime::getTime(), atoms[i+1]);
// create map as it should be
for(int i=0;i FileAdjacency) );
// parse in external map
WorldAdjacency.CreateMap(atomIds);
// assert equality after parsing
CPPUNIT_ASSERT_EQUAL( FileAdjacency.atombondmap.size(), WorldAdjacency.atombondmap.size() );
CPPUNIT_ASSERT( FileAdjacency.atombondmap == WorldAdjacency.atombondmap );
CPPUNIT_ASSERT( WorldAdjacency < FileAdjacency );
CPPUNIT_ASSERT( WorldAdjacency > FileAdjacency );
// remove one entry from the world
WorldAdjacency.atombondmap.erase((atomId_t)9);
CPPUNIT_ASSERT( WorldAdjacency < FileAdjacency );
CPPUNIT_ASSERT( !(WorldAdjacency > FileAdjacency) );
}
/** Unit tests for AdjacencyList::operator==().
*
*/
void AdjacencyListTest::operatorEqualTest()
{
std::stringstream input(adjacencyfile);
AdjacencyList FileAdjacency(input);
AdjacencyList WorldAdjacency;
// assert equality before parsing (empty sets should always return true)
CPPUNIT_ASSERT( FileAdjacency.atombondmap.size() != WorldAdjacency.atombondmap.size() );
CPPUNIT_ASSERT( FileAdjacency.atombondmap != WorldAdjacency.atombondmap );
CPPUNIT_ASSERT( WorldAdjacency != FileAdjacency );
// parse in external map
WorldAdjacency.CreateMap(atomIds);
// assert equality after parsing
CPPUNIT_ASSERT_EQUAL( FileAdjacency.atombondmap.size(), WorldAdjacency.atombondmap.size() );
CPPUNIT_ASSERT( FileAdjacency.atombondmap == WorldAdjacency.atombondmap );
CPPUNIT_ASSERT( WorldAdjacency == FileAdjacency );
}
/** Unit tests for AdjacencyList::operator()().
*
*/
void AdjacencyListTest::CheckAgainstSubsetTest()
{
AdjacencyList WorldAdjacency(atomIds);
{
// parse right
std::stringstream input(adjacencyfile);
AdjacencyList FileAdjacency(input);
CPPUNIT_ASSERT( (WorldAdjacency > FileAdjacency) && (WorldAdjacency < FileAdjacency) );
}
{
// parse wrong1 (more atoms in the world than in file, hence wrong)
std::stringstream input(wrongadjacencyfile1);
AdjacencyList FileAdjacency(input);
CPPUNIT_ASSERT( !(WorldAdjacency < FileAdjacency) && (WorldAdjacency > FileAdjacency) );
}
{
// remove third atom (index starts at 0) and test for equality then
std::vector validids;
std::remove_copy_if(atomIds.begin(), atomIds.end(), std::back_inserter(validids), boost::lambda::_1 == (atomId_t)2);
CPPUNIT_ASSERT_EQUAL( (size_t)ATOM_COUNT-1, validids.size() );
AdjacencyList RestrictedWorldAdjacency(validids);
// parse wrong1 (more atoms in the world than in file, hence wrong)
std::stringstream input(wrongadjacencyfile1);
AdjacencyList FileAdjacency(input);
CPPUNIT_ASSERT( RestrictedWorldAdjacency == FileAdjacency );
}
{
// parse wrong2 (there is no atom 10, but present in file. hence true)
std::stringstream input(wrongadjacencyfile2);
AdjacencyList FileAdjacency(input);
CPPUNIT_ASSERT( !(WorldAdjacency > FileAdjacency) && (WorldAdjacency < FileAdjacency) );
}
{
// parse wrong3 (6 is skipped in connection, hence neither is subset)
std::stringstream input(wrongadjacencyfile3);
AdjacencyList FileAdjacency(input);
// WorldAdjacency.StoreToFile((std::ostream &)std::cout);
// FileAdjacency.StoreToFile((std::ostream &)std::cout);
CPPUNIT_ASSERT( WorldAdjacency != FileAdjacency );
}
}