/*
* 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_ControllerUnitTest.cpp
*
* Created on: Nov 29, 2011
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
using namespace std;
#include
#include
#include
#include "Atom/atom.hpp"
#include "Box.hpp"
#include "CodePatterns/Assert.hpp"
#include "LinearAlgebra/RealSpaceMatrix.hpp"
#include "LinkedCell/LinkedCell_Controller.hpp"
#include "LinkedCell/LinkedCell_View.hpp"
#include "LinkedCell/LinkedCell_View_ModelWrapper.hpp"
#include "LinkedCell/unittests/defs.hpp"
#include "LinkedCell/PointCloudAdaptor.hpp"
#include "LinkedCell_ControllerUnitTest.hpp"
#ifdef HAVE_TESTRUNNER
#include "UnitTestMain.hpp"
#endif /*HAVE_TESTRUNNER*/
/********************************************** Test classes **************************************/
// Registers the fixture into the 'registry'
CPPUNIT_TEST_SUITE_REGISTRATION( LinkedCell_ControllerTest );
void LinkedCell_ControllerTest::setUp()
{
// failing asserts should be thrown
ASSERT_DO(Assert::Throw);
// create diag(20.) matrix
BoxM = new RealSpaceMatrix;
BoxM->setIdentity();
(*BoxM) *= DOMAINLENGTH;
// create Box with this matrix
domain = new Box(*BoxM);
controller = new LinkedCell::LinkedCell_Controller(*domain);
// create empty set
emptyset = new PointCloudAdaptor< std::vector >(&emptyvector, std::string("emptyset"));
}
void LinkedCell_ControllerTest::tearDown()
{
delete controller;
delete domain;
delete emptyset;
}
/** UnitTest for LinkedCell_Controller's lower and upper thresholds.
*/
void LinkedCell_ControllerTest::thresholdTest()
{
/// re-create instances
delete controller;
delete domain;
/// create diag(..) matrix beyond upper_threshold
const double old_threshold = controller->upper_threshold;
controller->lower_threshold = old_threshold*0.9;
RealSpaceMatrix BoxM;
BoxM.setIdentity();
BoxM *= controller->upper_threshold*.5;
/// create Box with this matrix
domain = new Box(BoxM);
controller = new LinkedCell::LinkedCell_Controller(*domain);
/// check that thresholds have been adapted
CPPUNIT_ASSERT( controller->upper_threshold != old_threshold );
CPPUNIT_ASSERT( controller->lower_threshold != old_threshold*0.9 );
}
/** UnitTest for LinkedCell_Controller::getHeuristicRange().
*/
void LinkedCell_ControllerTest::getHeuristicRangeTest()
{
/// re-implementing function to check is nonsense here, instead try some
/// hard-coded, working values;
controller->lower_threshold = 1.;
controller->upper_threshold = 20.;
const double inbetween = 9.5; // half and twice is definitely within both thresholds.
/// check distance in between
range interval = controller->getHeuristicRange(inbetween);
CPPUNIT_ASSERT ( interval.first != controller->lower_threshold );
CPPUNIT_ASSERT ( interval.last != controller->upper_threshold );
}
/** UnitTest for LinkedCell_Controller::getViewTest() for getting twice the same view.
*/
void LinkedCell_ControllerTest::getView_SameViewTest()
{
/// obtain a view
CPPUNIT_ASSERT_EQUAL( (size_t)0, controller->ModelsMap.size() );
LinkedCell::LinkedCell_View view = controller->getView(2., *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
{
/// get same view again and check that now new instance appears
LinkedCell::LinkedCell_View view_again = controller->getView(2., *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
}
}
/** UnitTest for LinkedCell_Controller::getViewTest() for picking two different views.
*/
void LinkedCell_ControllerTest::getView_DifferentViewTest()
{
/// obtain a view
CPPUNIT_ASSERT_EQUAL( (size_t)0, controller->ModelsMap.size() );
LinkedCell::LinkedCell_View view = controller->getView(2., *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
{
/// pick another view that is not close enough
LinkedCell::LinkedCell_View view_other = controller->getView(5., *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)2, controller->ModelsMap.size() );
}
}
/** UnitTest for LinkedCell_Controller::getViewTest() for picking further views in range of present one.
*/
void LinkedCell_ControllerTest::getView_InRangeViewTest()
{
/// obtain a view
const double edgelength = 2.;
CPPUNIT_ASSERT_EQUAL( (size_t)0, controller->ModelsMap.size() );
LinkedCell::LinkedCell_View view = controller->getView(edgelength, *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
/// pick views that are close enough
range interval = controller->getHeuristicRange(edgelength);
{
/// ... at half lower interval half
LinkedCell::LinkedCell_View view_lowerhalf = controller->getView((edgelength + interval.first)/2., *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
}
{
/// ... at half upper interval half
LinkedCell::LinkedCell_View view_upperhalf = controller->getView((interval.last + edgelength)/2., *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
}
{
/// ... close to lower boundary
LinkedCell::LinkedCell_View view_closelower = controller->getView(interval.first + std::numeric_limits::round_error(), *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
}
{
/// ... close to upper boundary
LinkedCell::LinkedCell_View view_closerupper = controller->getView(interval.last - std::numeric_limits::round_error(), *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
}
{
/// on lower boundary
LinkedCell::LinkedCell_View view_onlower = controller->getView(interval.first, *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
}
}
/** UnitTest for LinkedCell_Controller::getViewTest() for picking further views outside range.
*/
void LinkedCell_ControllerTest::getView_OutOfRangeViewTest()
{
/// Here we need half of the edge length to be greater than lower_threshold
const double edgelength = 2.5;
CPPUNIT_ASSERT( (edgelength/2.) > controller->lower_threshold );
/// obtain a view
CPPUNIT_ASSERT_EQUAL( (size_t)0, controller->ModelsMap.size() );
LinkedCell::LinkedCell_View view = controller->getView(edgelength, *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
/// pick views that are not close enough and check for new instance
range interval = controller->getHeuristicRange(edgelength);
{
/// ... outside lower boundary
LinkedCell::LinkedCell_View view_outsidelower = controller->getView(interval.first - std::numeric_limits::round_error(), *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)2, controller->ModelsMap.size() );
}
{
/// ... on upper boundary
LinkedCell::LinkedCell_View view_onupper = controller->getView(interval.last, *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)3, controller->ModelsMap.size() );
}
}
/** UnitTest for LinkedCell_Controller::getViewTest() for picking views beneath lower threshold.
*/
void LinkedCell_ControllerTest::getView_LowerThresholdViewTest()
{
/// obtain a view
const double edgelength = 1.9*controller->lower_threshold;
CPPUNIT_ASSERT_EQUAL( (size_t)0, controller->ModelsMap.size() );
LinkedCell::LinkedCell_View view = controller->getView(edgelength, *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
{
/// get a view at threshold and check that no new instance has been created
LinkedCell::LinkedCell_View view_onlower = controller->getView(controller->lower_threshold, *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
}
{
/// pick a view below 1.
LinkedCell::LinkedCell_View view_beneathlower = controller->getView(0.1*controller->lower_threshold, *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
}
}
/** UnitTest for LinkedCell_Controller::getViewTest() for picking views above upper threshold.
*/
void LinkedCell_ControllerTest::getView_UpperThresholdViewTest()
{
/// obtain a view
const double edgelength = controller->upper_threshold;
CPPUNIT_ASSERT_EQUAL( (size_t)0, controller->ModelsMap.size() );
LinkedCell::LinkedCell_View view = controller->getView(edgelength, *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
{
/// get a view beyond threshold and check that no new instance has been created
LinkedCell::LinkedCell_View view_beyondupper = controller->getView(1.1*controller->upper_threshold, *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
}
{
/// pick a view below threshold and check for new instance (if we make it outside acceptable range)
range interval = controller->getHeuristicRange(edgelength);
if ( !interval.isInRange(0.1*controller->upper_threshold) ) {
LinkedCell::LinkedCell_View view_beneathupper = controller->getView(0.1*controller->upper_threshold, *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)2, controller->ModelsMap.size() );
}
}
}
/** UnitTest for LinkedCell_Controller::updateModels().
*/
void LinkedCell_ControllerTest::updateBoxTest()
{
/// obtain a view
const double edgelength = controller->upper_threshold;
CPPUNIT_ASSERT_EQUAL( (size_t)0, controller->ModelsMap.size() );
LinkedCell::LinkedCell_View view = controller->getView(edgelength, *emptyset);
CPPUNIT_ASSERT_EQUAL( (size_t)1, controller->ModelsMap.size() );
const LinkedCell::LinkedCell_Model * const model = view.LC->getModel();
/// change box matrix
domain->setM(*BoxM);
/// check that model has changed
CPPUNIT_ASSERT( model != view.LC->getModel() );
}