/*
* 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 .
*/
/*
* CheckAgainstAdjacencyFileUnitTest.cpp
*
* Created on: Oct 17, 2011
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
#include "CheckAgainstAdjacencyFileUnitTest.hpp"
#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/CheckAgainstAdjacencyFile.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( CheckAgainstAdjacencyFileTest );
static 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";
static std::string wrongadjacencyfile1 ="\
1 2\n\
2 1 3\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";
static 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";
// set up and tear down
void CheckAgainstAdjacencyFileTest::setUp()
{
const element *hydrogen = World::getInstance().getPeriode()->FindElement(1);
CPPUNIT_ASSERT(hydrogen != NULL);
// failing asserts should be thrown
ASSERT_DO(Assert::Throw);
TestMolecule = World::getInstance().createMolecule();
CPPUNIT_ASSERT(TestMolecule != NULL);
for(int i=0;isetType(hydrogen);
TestMolecule->AddAtom(atoms[i]);
atomIds[i]= atoms[i]->getId();
}
// create linear chain
for(int i=0;iaddBond(WorldTime::getTime(), atoms[i+1]);
}
// create map as it should be
for(int i=0;iremoveAtomsinMolecule();
World::getInstance().destroyMolecule(TestMolecule);
// destroy World
World::purgeInstance();
// logger::purgeInstance();
// errorLogger::purgeInstance();
}
/** Unit tests for CheckAgainstAdjacencyFile::CreateInternalMap().
*
*/
void CheckAgainstAdjacencyFileTest::CreateInternalMapTest()
{
World::getInstance().selectAllAtoms(AllAtoms());
CheckAgainstAdjacencyFile fileChecker(World::getInstance().beginAtomSelection(), World::getInstance().endAtomSelection());
// check size (it's 8*2 + 2*1 = 18 keys)
CPPUNIT_ASSERT_EQUAL( (size_t)18, fileChecker.InternalAtomBondMap.size() );
CPPUNIT_ASSERT_EQUAL( (size_t)0, fileChecker.ExternalAtomBondMap.size() );
// check equality
CPPUNIT_ASSERT( comparisonMap.size() == fileChecker.InternalAtomBondMap.size() );
// std::cout << "comparisonMap: " << comparisonMap << std::endl;
// std::cout << "fileChecker.InternalAtomBondMap: " << fileChecker.InternalAtomBondMap << std::endl;
CPPUNIT_ASSERT( comparisonMap == fileChecker.InternalAtomBondMap );
// check non-equality: more
comparisonMap.insert( std::make_pair( (atomId_t)10, (atomId_t)8) );
CPPUNIT_ASSERT( comparisonMap != fileChecker.InternalAtomBondMap );
comparisonMap.erase((atomId_t)10);
// check non-equality: less
comparisonMap.erase((atomId_t)9);
CPPUNIT_ASSERT( comparisonMap != fileChecker.InternalAtomBondMap );
}
/** Unit tests for CheckAgainstAdjacencyFile::ParseInExternalMap().
*
*/
void CheckAgainstAdjacencyFileTest::ParseInExternalMapTest()
{
std::stringstream input(adjacencyfile);
World::getInstance().selectAllAtoms(NoAtoms());
CheckAgainstAdjacencyFile fileChecker(World::getInstance().beginAtomSelection(), World::getInstance().endAtomSelection());
fileChecker.ParseInExternalMap(input);
// check size (it's 8*2 + 2*1 = 18 keys)
CPPUNIT_ASSERT_EQUAL( (size_t)0, fileChecker.InternalAtomBondMap.size() );
CPPUNIT_ASSERT_EQUAL( (size_t)18, fileChecker.ExternalAtomBondMap.size() );
// check equality
CPPUNIT_ASSERT( comparisonMap.size() == fileChecker.ExternalAtomBondMap.size() );
CPPUNIT_ASSERT( comparisonMap == fileChecker.ExternalAtomBondMap );
// check non-equality: more
comparisonMap.insert( std::make_pair( (atomId_t)10, (atomId_t)8) );
CPPUNIT_ASSERT( comparisonMap != fileChecker.ExternalAtomBondMap );
comparisonMap.erase((atomId_t)10);
// check non-equality: less
comparisonMap.erase((atomId_t)9);
CPPUNIT_ASSERT( comparisonMap != fileChecker.ExternalAtomBondMap );
}
/** Unit tests for CheckAgainstAdjacencyFile::CompareInternalExternalMap().
*
*/
void CheckAgainstAdjacencyFileTest::CompareInternalExternalMapTest()
{
World::getInstance().selectAllAtoms(AllAtoms());
CheckAgainstAdjacencyFile fileChecker(World::getInstance().beginAtomSelection(), World::getInstance().endAtomSelection());
// assert non-equality before parsing
CPPUNIT_ASSERT( fileChecker.InternalAtomBondMap.size() != fileChecker.ExternalAtomBondMap.size() );
CPPUNIT_ASSERT( fileChecker.InternalAtomBondMap != fileChecker.ExternalAtomBondMap );
CPPUNIT_ASSERT( !fileChecker.CompareInternalExternalMap() );
// parse
std::stringstream input(adjacencyfile);
fileChecker.ParseInExternalMap(input);
// assert equality after parsing
CPPUNIT_ASSERT_EQUAL( fileChecker.InternalAtomBondMap.size(), fileChecker.ExternalAtomBondMap.size() );
CPPUNIT_ASSERT_EQUAL( fileChecker.InternalAtomBondMap, fileChecker.ExternalAtomBondMap );
CPPUNIT_ASSERT( fileChecker.CompareInternalExternalMap() );
}
/** Unit tests for CheckAgainstAdjacencyFile::operator()().
*
*/
void CheckAgainstAdjacencyFileTest::operatorTest()
{
World::getInstance().selectAllAtoms(AllAtoms());
CheckAgainstAdjacencyFile fileChecker(World::getInstance().beginAtomSelection(), World::getInstance().endAtomSelection());
{
// parse right
std::stringstream input(adjacencyfile);
CPPUNIT_ASSERT( fileChecker(input) );
}
{
// parse wrong1
std::stringstream input(wrongadjacencyfile1);
CPPUNIT_ASSERT( !fileChecker(input) );
}
{
// parse wrong2 (there is no atom 10)
std::stringstream input(wrongadjacencyfile2);
#ifndef NDEBUG
std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
CPPUNIT_ASSERT_THROW( fileChecker(input), Assert::AssertionFailure );
#else
CPPUNIT_ASSERT( !fileChecker(input) );
#endif
}
}