/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 2014 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 .
*/
/*
* IonUnitTest.cpp
*
* Created on: Mar 10, 2014
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
using namespace std;
#include
#include
#include
#include "CodePatterns/Assert.hpp"
#include
#include "Element/ion.hpp"
// include headers that implement a archive in simple text format
#include
#include
#include "IonUnitTest.hpp"
#ifdef HAVE_TESTRUNNER
#include "UnitTestMain.hpp"
#endif /*HAVE_TESTRUNNER*/
/********************************************** Test classes **************************************/
// Registers the fixture into the 'registry'
CPPUNIT_TEST_SUITE_REGISTRATION( IonTest );
void IonTest::setUp()
{
// failing asserts should be thrown
ASSERT_DO(Assert::Throw);
testelement = new element();
testelement->setSymbol("H");
testelement->Z = 1;
testelement->Valence = +1.;
testelement->NoValenceOrbitals = +1.;
// create H+
testion = new ion(*testelement, +1);
};
void IonTest::tearDown()
{
delete testelement;
delete testion;
};
/** Test whether creations has correct asserts
*
*/
void IonTest::CreationTest()
{
ion *otherion = NULL;
// check for zero ionization
#ifndef NDEBUG
std::cout << "The following assertion is expected and does not mean a failure of the test." << std::endl;
CPPUNIT_ASSERT_THROW(otherion = new ion(testelement, 0), Assert::AssertionFailure);
#endif
// check for ionization exceeding valence
#ifndef NDEBUG
std::cout << "The following assertion is expected and does not mean a failure of the test." << std::endl;
CPPUNIT_ASSERT_THROW(otherion = new ion(testelement, +2), Assert::AssertionFailure);
#endif
}
/** Test whether assignment works
*
*/
void IonTest::AssignmentTest()
{
ion * otherion = new ion(testelement, -1);
ion * const backup = otherion;
CPPUNIT_ASSERT( otherion != testion );
otherion = testion;
CPPUNIT_ASSERT( otherion == testion );
otherion = backup;
*otherion = *testion;
CPPUNIT_ASSERT( *otherion == *testion );
delete backup;
otherion = new ion(*testion);
CPPUNIT_ASSERT( otherion != testion );
CPPUNIT_ASSERT( *otherion == *testion );
delete otherion;
}
/** Test whether the getters are working.
*
*/
void IonTest::GetterTest()
{
CPPUNIT_ASSERT_EQUAL( (atomId_t)0, testion->getAtomicNumber() );
CPPUNIT_ASSERT_EQUAL( 0., testion->getValence() );
CPPUNIT_ASSERT_EQUAL( +1., testion->getCharge() );
ion * newion = new ion(testelement, -1);
CPPUNIT_ASSERT_EQUAL( (atomId_t)2, newion->getAtomicNumber() );
CPPUNIT_ASSERT_EQUAL( 2, newion->getNoValenceOrbitals() );
CPPUNIT_ASSERT_EQUAL( -1., newion->getCharge() );
delete newion;
}
/** Unit test for operator==()
*/
void IonTest::ComparisonTest()
{
{
ion * newion = new ion(testelement, -1);
CPPUNIT_ASSERT( *testion != *newion );
delete newion;
}
{
ion * newion = new ion(testelement, +1);
CPPUNIT_ASSERT( *testion == *newion );
delete newion;
}
}
/** Tests whether serialization of the class works
*/
void IonTest::SerializeTest()
{
const std::string he("He");
const std::string helium("Helium");
testion->setSymbol(he);
testion->setName(helium);
CPPUNIT_ASSERT_EQUAL ( he, testion->getSymbol() );
CPPUNIT_ASSERT_EQUAL( helium, testion->getName() );
// write ion to stream
std::stringstream stream;
boost::archive::text_oarchive oa(stream);
oa << testion;
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
ion * newion = NULL;
ia >> newion;
CPPUNIT_ASSERT_EQUAL( he, newion->getSymbol() );
CPPUNIT_ASSERT_EQUAL( helium, newion->getName() );
CPPUNIT_ASSERT (*testion == *newion);
delete newion;
};