/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 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 .
*/
/*
* LinkedCell_ViewUnitTest.cpp
*
* Created on: Nov 18, 2011
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
using namespace std;
#include
#include
#include
#include
#include
#include "Box.hpp"
#include "CodePatterns/Assert.hpp"
#include "CodePatterns/Log.hpp"
#include "LinearAlgebra/defs.hpp"
#include "LinearAlgebra/RealSpaceMatrix.hpp"
#include "LinkedCell/LinkedCell.hpp"
#include "LinkedCell/LinkedCell_Model.hpp"
#include "LinkedCell/LinkedCell_View.hpp"
#include "LinkedCell/PointCloudAdaptor.hpp"
#include "LinkedCell/unittests/defs.hpp"
#include "World.hpp"
#include "WorldTime.hpp"
#include "LinkedCell_ViewUnitTest.hpp"
#ifdef HAVE_TESTRUNNER
#include "UnitTestMain.hpp"
#endif /*HAVE_TESTRUNNER*/
/********************************************** Test classes **************************************/
// Registers the fixture into the 'registry'
CPPUNIT_TEST_SUITE_REGISTRATION( LinkedCell_ViewTest );
void LinkedCell_ViewTest::setUp()
{
// failing asserts should be thrown
ASSERT_DO(Assert::Throw);
//setVerbosity(3);
// create diag(20.) matrix
RealSpaceMatrix BoxM;
BoxM.setIdentity();
BoxM *= 20.;
// create Box with this matrix
domain = new Box(BoxM);
// create LinkedCell structure with this Box
LCImpl = new LinkedCell::LinkedCell_Model(EDGELENGTH, *domain);
// create a list of nodes and add to LCImpl
std::vector< Vector > VectorList;
for (size_t i=0;i<((size_t)floor(NUMBERCELLS));++i)
VectorList.push_back(Vector((double)i*EDGELENGTH,(double)i*EDGELENGTH,(double)i*EDGELENGTH));
for (size_t i=0;isetName(std::string("Walker")+toString(i));
Walker->setPosition(VectorList[i]);
NodeList.insert(Walker);
LCImpl->addNode(Walker);
}
// create LinkedCell_View from that
LC = new LinkedCell::LinkedCell_View(*LCImpl);
}
void LinkedCell_ViewTest::tearDown()
{
delete LC;
delete LCImpl;
delete domain;
// remove all nodes again
for (PointSet::iterator iter = NodeList.begin();
!NodeList.empty();
iter = NodeList.begin()) {
delete *iter;
NodeList.erase(iter);
}
// delete in correct order
World::purgeInstance();
WorldTime::purgeInstance();
}
/** UnitTest for getAllNeighbors()
*/
void LinkedCell_ViewTest::getAllNeighborsTest()
{
// define some center vector
Vector center(DOMAINLENGTH/2.,DOMAINLENGTH/2.,DOMAINLENGTH/2.);
// get LinkedList from LC
const double distance = 2.;
LinkedCell::LinkedList NeighborList = LC->getAllNeighbors(distance, center);
// for (LinkedCell::LinkedList::const_iterator iter = NeighborList.begin();
// iter != NeighborList.end(); ++iter)
// std::cout << **iter << " is in returned neighbor list." << std::endl;
// gather points from NodeList
LinkedCell::LinkedList ComparisonList;
for (PointSet::const_iterator iter = NodeList.begin(); iter != NodeList.end(); ++iter)
if (center.DistanceSquared((*iter)->getPosition()) <= distance*distance) {
ComparisonList.insert(*iter);
//std::cout << **iter << " is inside of " << center << " plus " << distance << "." << std::endl;
}
// check that we get at least as many as needed
CPPUNIT_ASSERT(ComparisonList.size() <= NeighborList.size());
// check element-wise and skip unrequired ones
LinkedCell::LinkedList::iterator iter1 = ComparisonList.begin();
LinkedCell::LinkedList::iterator iter2 = NeighborList.begin();
for(;(iter1 != ComparisonList.end()) && (iter2 != NeighborList.end()); ++iter1, ++iter2) {
while (*iter1 != *iter2) {
CPPUNIT_ASSERT( iter2 != NeighborList.end() );
++iter2;
}
//std::cout << **iter1 << " == " << **iter2 << std::endl;
CPPUNIT_ASSERT( iter2 != NeighborList.end() );
}
}
/** UnitTest for getPointsInsideSphere()
*/
void LinkedCell_ViewTest::getPointsInsideSphereTest()
{
// define some center vector
Vector center(DOMAINLENGTH/2.,DOMAINLENGTH/2.,DOMAINLENGTH/2.);
// get LinkedList from LC
const double distance = 3.;
LinkedCell::LinkedList NeighborList = LC->getPointsInsideSphere(distance, center);
// for (LinkedCell::LinkedList::const_iterator iter = NeighborList.begin();
// iter != NeighborList.end(); ++iter)
// std::cout << **iter << " is in returned restricted neighbor list." << std::endl;
// gather points from NodeList
LinkedCell::LinkedList ComparisonList;
for (PointSet::const_iterator iter = NodeList.begin(); iter != NodeList.end(); ++iter)
if (center.DistanceSquared((*iter)->getPosition()) <= distance*distance) {
ComparisonList.insert(*iter);
//std::cout << **iter << " is inside of " << center << " plus " << distance << "." << std::endl;
}
// check that we get at least as many as needed
CPPUNIT_ASSERT(ComparisonList.size() == NeighborList.size());
// check element-wise and skip unrequired ones
LinkedCell::LinkedList::iterator iter1 = ComparisonList.begin();
LinkedCell::LinkedList::iterator iter2 = NeighborList.begin();
for(;(iter1 != ComparisonList.end()) && (iter2 != NeighborList.end()); ++iter1, ++iter2) {
//std::cout << **iter1 << " == " << **iter2 << std::endl;
CPPUNIT_ASSERT( *iter1 == *iter2 );
}
}
LinkedCell::LinkedCell_View returnView(LinkedCell::LinkedCell_View &view)
{
return view;
}
LinkedCell::LinkedCell_View returnCopiedView(LinkedCell::LinkedCell_View &view)
{
LinkedCell::LinkedCell_View retview(view);
return retview;
}
/** UnitTest on whether counting in RAIIMap works
*/
void LinkedCell_ViewTest::RAIIMapTest()
{
CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() );
// check that we are present
LinkedCell::LinkedCell_View::ModelInstanceMap::iterator iter =
LinkedCell::LinkedCell_View::RAIIMap.find(LC);
CPPUNIT_ASSERT( iter != LinkedCell::LinkedCell_View::RAIIMap.end() );
CPPUNIT_ASSERT( *iter == LC );
// check that we are the only value present
++iter;
CPPUNIT_ASSERT( iter == LinkedCell::LinkedCell_View::RAIIMap.end() );
// add another view and check that there is not assertion
LinkedCell::LinkedCell_View *view = NULL;
CPPUNIT_ASSERT_NO_THROW( view = new LinkedCell::LinkedCell_View(*LCImpl) );
CPPUNIT_ASSERT_EQUAL( (size_t)2, LinkedCell::LinkedCell_View::RAIIMap.size() );
delete view;
CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() );
// copy current view
{
LinkedCell::LinkedCell_View view(*LC);
CPPUNIT_ASSERT_EQUAL( (size_t)2, LinkedCell::LinkedCell_View::RAIIMap.size() );
LinkedCell::LinkedCell_View view2 = *LC;
CPPUNIT_ASSERT_EQUAL( (size_t)3, LinkedCell::LinkedCell_View::RAIIMap.size() );
}
CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() );
// with function returning view
{
LinkedCell::LinkedCell_View view = returnView(*LC);
CPPUNIT_ASSERT_EQUAL( (size_t)2, LinkedCell::LinkedCell_View::RAIIMap.size() );
}
CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() );
// with function returning copied view
{
LinkedCell::LinkedCell_View view = returnCopiedView(*LC);
CPPUNIT_ASSERT_EQUAL( (size_t)2, LinkedCell::LinkedCell_View::RAIIMap.size() );
}
CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() );
}