/*
* 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 .
*/
/*
* FillerUnitTest.cpp
*
* Created on: Jan 19, 2012
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
#include
#include
#include
#include "CodePatterns/Assert.hpp"
#include "Atom/atom.hpp"
#include "Atom/CopyAtoms/CopyAtoms_Simple.hpp"
#include "Descriptors/AtomIdDescriptor.hpp"
#include "Element/periodentafel.hpp"
#include "Filling/Cluster.hpp"
#include "Filling/Filler.hpp"
#include "Filling/Inserter/Inserter.hpp"
#include "Filling/Inserter/SimpleInserter.hpp"
#include "Filling/Mesh/Mesh.hpp"
#include "Filling/Predicates/FillPredicate.hpp"
#include "LinearAlgebra/Vector.hpp"
#include "molecule.hpp"
#include "Shapes/BaseShapes.hpp"
#include "Shapes/Shape.hpp"
#include "World.hpp"
#include "WorldTime.hpp"
#include "FillerUnitTest.hpp"
#ifdef HAVE_TESTRUNNER
#include "UnitTestMain.hpp"
#endif /*HAVE_TESTRUNNER*/
/********************************************** Test classes **************************************/
// Registers the fixture into the 'registry'
CPPUNIT_TEST_SUITE_REGISTRATION( FillerTest );
class MeshStub : public Mesh
{
public:
MeshStub() {
nodes.reserve(5);
for (double i=1; i<6.; ++i)
nodes.push_back(Vector(i,0.,0.));
}
virtual ~MeshStub()
{}
};
void FillerTest::setUp()
{
// failing asserts should be thrown
ASSERT_DO(Assert::Throw);
predicate = new FillPredicate(AlwaysFillPredicate());
mesh = new MeshStub();
inserter = new Inserter(Inserter::impl_ptr(new SimpleInserter()));
CPPUNIT_ASSERT_EQUAL( (size_t)5, mesh->getNodes().size() );
filler = new Filler(*mesh, *predicate, *inserter);
s = new Shape(Sphere( Vector(0.,0.,0.05), 0.1));
Cluster::atomIdSet atoms;
// create an atom
hydrogen = World::getInstance().getPeriode()->FindElement(1);
CPPUNIT_ASSERT(hydrogen != NULL);
_atom = World::getInstance().createAtom();
_atom->setType(hydrogen);
_atom->setPosition( zeroVec );
atoms.insert(_atom->getId());
_atom = World::getInstance().createAtom();
_atom->setType(hydrogen);
_atom->setPosition( Vector(0.,0.,0.1) );
atoms.insert(_atom->getId());
CPPUNIT_ASSERT( s->isInside(_atom->getPosition()) );
cluster = new ClusterInterface::Cluster_impl(new Cluster(atoms, *s));
}
void FillerTest::tearDown()
{
hydrogen = NULL;
delete cluster;
delete filler;
delete mesh;
delete predicate;
delete inserter;
World::purgeInstance();
WorldTime::purgeInstance();
}
/** Test whether operator() works
*
*/
void FillerTest::operatorTest()
{
CopyAtoms_Simple copyMethod;
Filler::ClusterVector_t ClonedClusters;
(*filler)(copyMethod, *cluster, ClonedClusters);
// one atom at 5 nodes added
CPPUNIT_ASSERT_EQUAL( mesh->getNodes().size(), ClonedClusters.size() );
CPPUNIT_ASSERT_EQUAL(
mesh->getNodes().size()*2,
const_cast(World::getInstance()).getAllAtoms().size() );
}