/*
* 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 .
*/
/*
* PeriodentafelUnitTest.cpp
*
* Created on: May 18, 2010
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
using namespace std;
#include
#include
#include
#include
#include
#include "CodePatterns/Assert.hpp"
#include "Element/element.hpp"
#include "Element/ion.hpp"
#include "Element/elements_db.hpp"
#include "Element/periodentafel.hpp"
#include "PeriodentafelUnitTest.hpp"
// include headers that implement a archive in simple text format
#include
#include
#ifdef HAVE_TESTRUNNER
#include "UnitTestMain.hpp"
#endif /*HAVE_TESTRUNNER*/
/********************************************** Test classes **************************************/
// Registers the fixture into the 'registry'
CPPUNIT_TEST_SUITE_REGISTRATION( periodentafelTest );
void periodentafelTest::setUp()
{
// make sure world is present
tafel = new periodentafel(true);
CPPUNIT_ASSERT(tafel != NULL && "could not obtain periodentafel");
};
void periodentafelTest::tearDown()
{
delete tafel;
};
/** UnitTest for AddRemoveTest().
*/
void periodentafelTest::AddRemoveTest()
{
// copy the element
const element * ElementPtr = tafel->FindElement(3);
CPPUNIT_ASSERT( ElementPtr != NULL && "could not find element lithium");
element *Elemental = new element(*ElementPtr);
// remove element
tafel->RemoveElement((element * const)ElementPtr);
ElementPtr = tafel->FindElement(3);
CPPUNIT_ASSERT_EQUAL( (const element *)NULL, ElementPtr );
// add element again
tafel->AddElement((element * const)Elemental);
ElementPtr = tafel->FindElement(3);
CPPUNIT_ASSERT( ElementPtr != NULL && "could not find re-added element lithium");
};
/** UnitTest for LoadStoreTest().
* TODO: periodentafelTest::LoadStoreTest() not implemented yet
*/
void periodentafelTest::LoadStoreTest()
{
// reload all databases
stringstream elementsDBstream(elementsDB,ios_base::in);
stringstream ElectronegativityDBstream(ElectronegativitiesDB,ios_base::in);
stringstream valenceDBstream(valenceDB,ios_base::in);
stringstream orbitalsDBstream(orbitalsDB,ios_base::in);
stringstream HbondangleDBstream(HbondangleDB,ios_base::in);
stringstream HbonddistanceDBstream(HbonddistanceDB,ios_base::in);
stringstream ColorDBstream(ColorDB,ios_base::in);
CPPUNIT_ASSERT(tafel->LoadElementsDatabase(elementsDBstream) && "General element initialization failed");
CPPUNIT_ASSERT(tafel->LoadElectronegativityDatabase(ElectronegativityDBstream) && "Electronegativity entry of element initialization failed");
CPPUNIT_ASSERT(tafel->LoadValenceDatabase(valenceDBstream) && "Valence entry of element initialization failed");
CPPUNIT_ASSERT(tafel->LoadOrbitalsDatabase(orbitalsDBstream) && "Orbitals entry of element initialization failed");
CPPUNIT_ASSERT(tafel->LoadHBondAngleDatabase(HbondangleDBstream) && "HBond angle entry of element initialization failed");
CPPUNIT_ASSERT(tafel->LoadHBondLengthsDatabase(HbonddistanceDBstream) && "HBond distance entry of element initialization failed");
CPPUNIT_ASSERT(tafel->LoadColorDatabase(ColorDBstream) && "color entry of element initialization failed");
// check presence of elements
atomicNumber_t Z = 1;
for(periodentafel::const_iterator ElementRunner = tafel->begin(); ElementRunner != tafel->end(); ++ElementRunner)
CPPUNIT_ASSERT( (ElementRunner->second->getAtomicNumber() == Z++) && "element is missing in sequence");
};
/** UnitTest for serialization
*
*/
void periodentafelTest::ComparisonTest()
{
periodentafel *newtafel = new periodentafel(true);
CPPUNIT_ASSERT (*newtafel == *tafel );
element *Elemental = new element();
newtafel->AddElement((element * const)Elemental);
CPPUNIT_ASSERT (*newtafel != *tafel );
delete newtafel;
}
std::string gatherUndoInformation(const periodentafel *tafel)
{
// create undo state
std::stringstream undostream;
boost::archive::text_oarchive oa(undostream);
oa << tafel;
return undostream.str();
}
/** UnitTest for serialization
*
*/
void periodentafelTest::SerializeTest()
{
// write element to stream
std::stringstream stream(gatherUndoInformation(tafel));
// boost::archive::text_oarchive oa(stream);
// oa << World::getInstance().getPeriode();
// //oa << tafel;
//
// //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
periodentafel * newtafel;
ia >> newtafel;
CPPUNIT_ASSERT (*tafel == *newtafel);
}