/*
* 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 .
*/
/*
* VectorUnitTest.cpp
*
* Created on: Aug 17, 2009
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
using namespace std;
#include
#include
#include
#include
#include "CodePatterns/Log.hpp"
#include "defs.hpp"
#include "Plane.hpp"
#include "RealSpaceMatrix.hpp"
#include "Vector.hpp"
#include "vector_ops.hpp"
#include "VectorUnitTest.hpp"
#ifdef HAVE_TESTRUNNER
#include "UnitTestMain.hpp"
#endif /*HAVE_TESTRUNNER*/
#include
/********************************************** Test classes **************************************/
// Registers the fixture into the 'registry'
CPPUNIT_TEST_SUITE_REGISTRATION( VectorTest );
void VectorTest::setUp()
{
zero = Vector(0.,0.,0.);
unit = Vector(1.,0.,0.);
otherunit = Vector(0.,1.,0.);
notunit = Vector(0.,1.,1.);
two = Vector(2.,1.,0.);
three = Vector(1,2,3);
};
void VectorTest::tearDown()
{
logger::purgeInstance();
errorLogger::purgeInstance();
};
/** UnitTest for Constructors and Vector::IsZero() and Vector::IsOne().
*/
void VectorTest::AssignmentTest()
{
// test with zero
zero.at(0) = 0;
zero.at(1) = 0;
zero.at(2) = 0;
double zero_array[3] = {0., 0., 0.};
CPPUNIT_ASSERT_EQUAL( zero, Vector(0,0,0));
CPPUNIT_ASSERT_EQUAL( zero, Vector(0.,0.,0.));
CPPUNIT_ASSERT_EQUAL( zero, Vector(zero_array[0], zero_array[1], zero_array[2]));
CPPUNIT_ASSERT_EQUAL( zero, Vector(zero_array));
// test with unit
unit.at(0) = 1;
unit.at(1) = 0;
unit.at(2) = 0;
double unit_array[3] = {1., 0., 0.};
CPPUNIT_ASSERT_EQUAL( unit, Vector(1,0,0));
CPPUNIT_ASSERT_EQUAL( unit, Vector(1.,0.,0.));
CPPUNIT_ASSERT_EQUAL( unit, Vector(unit_array[0], unit_array[1], unit_array[2]));
CPPUNIT_ASSERT_EQUAL( unit, Vector(unit_array));
// test with two
two.at(0) = 2;
two.at(1) = 1;
two.at(2) = 0;
double two_array[3] = {2., 1., 0.};
CPPUNIT_ASSERT_EQUAL( two, Vector(2,1,0));
CPPUNIT_ASSERT_EQUAL( two, Vector(2.,1.,0.));
CPPUNIT_ASSERT_EQUAL( two, Vector(two_array[0], two_array[1], two_array[2]));
CPPUNIT_ASSERT_EQUAL( two, Vector(two_array));
// test with three
three.at(0) = 1;
three.at(1) = 2;
three.at(2) = 3;
double three_array[3] = {1., 2., 3.};
CPPUNIT_ASSERT_EQUAL( three, Vector(1,2,3));
CPPUNIT_ASSERT_EQUAL( three, Vector(1.,2.,3.));
CPPUNIT_ASSERT_EQUAL( three, Vector(three_array[0], three_array[1], three_array[2]));
CPPUNIT_ASSERT_EQUAL( three, Vector(three_array));
}
/** UnitTest for Constructors and Vector::IsZero() and Vector::IsOne().
*/
void VectorTest::UnityTest()
{
// unity and zero tests
CPPUNIT_ASSERT_EQUAL( true, zero.IsZero() );
CPPUNIT_ASSERT_EQUAL( false, zero.IsOne() );
CPPUNIT_ASSERT_EQUAL( false, unit.IsZero() );
CPPUNIT_ASSERT_EQUAL( true, unit.IsOne() );
CPPUNIT_ASSERT_EQUAL( false, notunit.IsOne() );
CPPUNIT_ASSERT_EQUAL( true, otherunit.IsOne() );
CPPUNIT_ASSERT_EQUAL( false, otherunit.IsZero() );
};
/** UnitTest for Vector::CopyVector(), Vector::AddVector, Vector::SubtractVector() and Vector::Scale()/
*/
void VectorTest::SimpleAlgebraTest()
{
double factor;
// copy vector
fixture = Vector(2.,3.,4.);
CPPUNIT_ASSERT_EQUAL( Vector(2.,3.,4.), fixture );
// summation and scaling
fixture = zero + unit;
CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
fixture = zero - unit;
CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
CPPUNIT_ASSERT_EQUAL( false, fixture.IsZero() );
fixture = zero + zero;
CPPUNIT_ASSERT_EQUAL( true, fixture.IsZero() );
fixture = notunit - otherunit;
CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
fixture = unit - otherunit;
CPPUNIT_ASSERT_EQUAL( false, fixture.IsOne() );
fixture = notunit - unit - otherunit;
CPPUNIT_ASSERT_EQUAL( false, fixture.IsZero() );
fixture = 0.98 * unit;
CPPUNIT_ASSERT_EQUAL( false, fixture.IsOne() );
fixture = 1. * unit;
CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
factor = 0.98;
fixture = factor * unit;
CPPUNIT_ASSERT_EQUAL( false, fixture.IsOne() );
factor = 1.;
fixture = factor * unit;
CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
};
/** UnitTest for operator versions of Vector::CopyVector(), Vector::AddVector, Vector::SubtractVector() and Vector::Scale().
*/
void VectorTest::OperatorAlgebraTest()
{
// summation and scaling
CPPUNIT_ASSERT_EQUAL( true, (zero+unit).IsOne() );
CPPUNIT_ASSERT_EQUAL( true, (zero+unit).IsOne() );
CPPUNIT_ASSERT_EQUAL( true, (zero-unit).IsOne() );
CPPUNIT_ASSERT_EQUAL( false, (zero-unit).IsZero() );
CPPUNIT_ASSERT_EQUAL( true, (zero+zero).IsZero() );
CPPUNIT_ASSERT_EQUAL( true, (notunit-otherunit).IsOne() );
CPPUNIT_ASSERT_EQUAL( false, (unit+otherunit).IsOne() );
CPPUNIT_ASSERT_EQUAL( false, (notunit-unit-otherunit).IsZero() );
CPPUNIT_ASSERT_EQUAL( false, (unit*0.98).IsOne() );
CPPUNIT_ASSERT_EQUAL( true, (unit*1.).IsOne() );
CPPUNIT_ASSERT_EQUAL( unit, (zero+unit) );
CPPUNIT_ASSERT_EQUAL( Vector(0.,0.,1.), (notunit-otherunit) );
CPPUNIT_ASSERT_EQUAL( Vector(-1, 0., 1.), (notunit-unit-otherunit) );
};
/** UnitTest for scalar products.
*/
void VectorTest::EuclidianScalarProductTest()
{
CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(zero) );
CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(unit) );
CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(otherunit) );
CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(notunit) );
CPPUNIT_ASSERT_EQUAL( 1., unit.ScalarProduct(unit) );
CPPUNIT_ASSERT_EQUAL( 0., otherunit.ScalarProduct(unit) );
CPPUNIT_ASSERT_EQUAL( 0., otherunit.ScalarProduct(unit) );
CPPUNIT_ASSERT_EQUAL( 1., otherunit.ScalarProduct(notunit) );
CPPUNIT_ASSERT_EQUAL( 2., two.ScalarProduct(unit) );
CPPUNIT_ASSERT_EQUAL( 1., two.ScalarProduct(otherunit) );
CPPUNIT_ASSERT_EQUAL( 1., two.ScalarProduct(notunit) );
}
/** UnitTest for norms.
*/
void VectorTest::EuclidianNormTest()
{
CPPUNIT_ASSERT_EQUAL( 0., zero.Norm() );
CPPUNIT_ASSERT_EQUAL( 0., zero.NormSquared() );
CPPUNIT_ASSERT_EQUAL( 1., unit.Norm() );
CPPUNIT_ASSERT_EQUAL( 1., unit.NormSquared() );
CPPUNIT_ASSERT_EQUAL( 1., otherunit.Norm() );
CPPUNIT_ASSERT_EQUAL( 1., otherunit.NormSquared() );
CPPUNIT_ASSERT_EQUAL( 2., notunit.NormSquared() );
CPPUNIT_ASSERT_EQUAL( sqrt(2.), notunit.Norm() );
}
/** UnitTest for distances.
*/
void VectorTest::EuclidianDistancesTest()
{
CPPUNIT_ASSERT_EQUAL( 1., zero.distance(unit) );
CPPUNIT_ASSERT_EQUAL( sqrt(2.), otherunit.distance(unit) );
CPPUNIT_ASSERT_EQUAL( sqrt(2.), zero.distance(notunit) );
CPPUNIT_ASSERT_EQUAL( 1., otherunit.distance(notunit) );
CPPUNIT_ASSERT_EQUAL( sqrt(5.), two.distance(notunit) );
// check operator
CPPUNIT_ASSERT( !(zero < zero) );
CPPUNIT_ASSERT( !(unit < otherunit) );
CPPUNIT_ASSERT( zero < unit );
CPPUNIT_ASSERT( unit < two );
}
/** UnitTest for angles.
*/
void VectorTest::EuclidianAnglesTest()
{
CPPUNIT_ASSERT_EQUAL( M_PI, zero.Angle(unit) );
CPPUNIT_ASSERT_EQUAL( 0., unit.Angle(unit) );
CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/2. - otherunit.Angle(unit)) <= LINALG_MYEPSILON() );
CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/2. - unit.Angle(notunit)) <= LINALG_MYEPSILON() );
CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/4. - otherunit.Angle(notunit)) <= LINALG_MYEPSILON() );
};
/** UnitTest for projections.
*/
void VectorTest::ProjectionTest()
{
CPPUNIT_ASSERT_EQUAL( zero, zero.Projection(unit) );
CPPUNIT_ASSERT_EQUAL( zero, otherunit.Projection(unit) );
CPPUNIT_ASSERT_EQUAL( Vector(0.4,0.2,0.), otherunit.Projection(two) );
CPPUNIT_ASSERT_EQUAL( Vector(0.,1.,0.), two.Projection(otherunit) );
};
/**
* Unittest for operation with normals
*/
void VectorTest::NormalsTest(){
Vector testVector;
// the zero Vector should produce an error
CPPUNIT_ASSERT(!testVector.GetOneNormalVector(zero));
// first one-component system
CPPUNIT_ASSERT(testVector.GetOneNormalVector(unit));
CPPUNIT_ASSERT(testVector.ScalarProduct(unit) <= LINALG_MYEPSILON());
// second one-component system
CPPUNIT_ASSERT(testVector.GetOneNormalVector(otherunit));
CPPUNIT_ASSERT(testVector.ScalarProduct(otherunit) <= LINALG_MYEPSILON());
// first two-component system
CPPUNIT_ASSERT(testVector.GetOneNormalVector(notunit));
CPPUNIT_ASSERT(testVector.ScalarProduct(notunit) <= LINALG_MYEPSILON());
// second two-component system
CPPUNIT_ASSERT(testVector.GetOneNormalVector(two));
CPPUNIT_ASSERT(testVector.ScalarProduct(two) <= LINALG_MYEPSILON());
// three component system
CPPUNIT_ASSERT(testVector.GetOneNormalVector(three));
CPPUNIT_ASSERT(testVector.ScalarProduct(three) <= LINALG_MYEPSILON());
}