/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 2010-2012 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 .
*/
/*
* ElementUnitTest.cpp
*
* Created on: Oct 29, 2009
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
using namespace std;
#include
#include
#include
#include
#include "Element/element.hpp"
// include headers that implement a archive in simple text format
#include
#include
#include "ElementUnitTest.hpp"
#ifdef HAVE_TESTRUNNER
#include "UnitTestMain.hpp"
#endif /*HAVE_TESTRUNNER*/
/********************************************** Test classes **************************************/
// Registers the fixture into the 'registry'
CPPUNIT_TEST_SUITE_REGISTRATION( ElementTest );
void ElementTest::setUp()
{
testelement = new element();
testelement->setSymbol("H");
};
void ElementTest::tearDown()
{
delete testelement;
};
/** Test whether assignment works
*
*/
void ElementTest::AssignmentTest()
{
element * otherelement = new element();
element * const backup = otherelement;
CPPUNIT_ASSERT( otherelement != testelement );
otherelement = testelement;
CPPUNIT_ASSERT( otherelement == testelement );
otherelement = backup;
*otherelement = *testelement;
CPPUNIT_ASSERT( *otherelement == *testelement );
delete backup;
otherelement = new element(*testelement);
CPPUNIT_ASSERT( otherelement != testelement );
CPPUNIT_ASSERT( *otherelement == *testelement );
delete otherelement;
}
/** Test whether the getters are working.
*
*/
void ElementTest::GetterTest()
{
CPPUNIT_ASSERT_EQUAL( (atomId_t)0, testelement->getAtomicNumber() );
CPPUNIT_ASSERT_EQUAL( 0., testelement->getMass() );
const unsigned char * color = testelement->getColor();
for (size_t i = 0; i < 3; ++i)
CPPUNIT_ASSERT_EQUAL( (unsigned char)0, color[i] );
CPPUNIT_ASSERT_EQUAL( 0., testelement->getCovalentRadius() );
CPPUNIT_ASSERT_EQUAL( 0., testelement->getElectronegativity() );
CPPUNIT_ASSERT_EQUAL( 0., testelement->getVanDerWaalsRadius() );
CPPUNIT_ASSERT_EQUAL( 0., testelement->getCharge() );
CPPUNIT_ASSERT_EQUAL( 0., testelement->getValence() );
CPPUNIT_ASSERT_EQUAL( 0, testelement->getNoValenceOrbitals() );
CPPUNIT_ASSERT_EQUAL( 0, testelement->getNoValenceOrbitals() );
for (size_t i = 0; i < 3; ++i)
CPPUNIT_ASSERT_EQUAL( -1., testelement->getHBondDistance(i) );
for (size_t i = 0; i < 3; ++i)
CPPUNIT_ASSERT_EQUAL( -1., testelement->getHBondAngle(i) );
}
/** Test whether the setters are working.
*
*/
void ElementTest::SetterTest()
{
// symbol
CPPUNIT_ASSERT( testelement->getSymbol() != std::string("He") );
testelement->setSymbol("He");
CPPUNIT_ASSERT_EQUAL( std::string("He"), testelement->getSymbol() );
// name
CPPUNIT_ASSERT( testelement->getName() != std::string("Helium") );
testelement->setName("Helium");
CPPUNIT_ASSERT_EQUAL( std::string("Helium"), testelement->getName() );
}
/** Unit test for operator==()
*/
void ElementTest::ComparisonTest()
{
testelement->setSymbol("He");
testelement->setName("Helium");
element * newelement = new element();
newelement->setSymbol("H");
newelement->setName("Hydrogen");
CPPUNIT_ASSERT( *testelement != *newelement );
newelement->setSymbol("He");
newelement->setName("Helium");
CPPUNIT_ASSERT( *testelement == *newelement );
delete newelement;
}
/** Tests whether serialization of the class works
*/
void ElementTest::SerializeTest()
{
const std::string he("He");
const std::string helium("Helium");
testelement->setSymbol(he);
testelement->setName(helium);
CPPUNIT_ASSERT_EQUAL ( he, testelement->getSymbol() );
CPPUNIT_ASSERT_EQUAL( helium, testelement->getName() );
// write element to stream
std::stringstream stream;
boost::archive::text_oarchive oa(stream);
oa << testelement;
std::cout << "Contents of archive is " << stream.str() << std::endl;
// create and open an archive for input
boost::archive::text_iarchive ia(stream);
// read class state from archive
element * newelement = NULL;
ia >> newelement;
CPPUNIT_ASSERT_EQUAL( he, newelement->getSymbol() );
CPPUNIT_ASSERT_EQUAL( helium, newelement->getName() );
CPPUNIT_ASSERT (*testelement == *newelement);
delete newelement;
};