/* * 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 . */ /* * PairPotential_HarmonicUnitTest.cpp * * Created on: Oct 04, 2012 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif using namespace std; #include #include #include #include "PairPotential_HarmonicUnitTest.hpp" #include #include "CodePatterns/Assert.hpp" #include "FunctionApproximation/FunctionArgument.hpp" #include "Potentials/Specifics/PairPotential_Harmonic.hpp" #include "Potentials/helpers.hpp" using namespace boost::assign; #ifdef HAVE_TESTRUNNER #include "UnitTestMain.hpp" #endif /*HAVE_TESTRUNNER*/ /********************************************** Test classes **************************************/ // Registers the fixture into the 'registry' CPPUNIT_TEST_SUITE_REGISTRATION( PairPotential_HarmonicTest ); void PairPotential_HarmonicTest::setUp() { // failing asserts should be thrown ASSERT_DO(Assert::Throw); input += 0., 1., 2., 3., 4., 5., 6., 7., 8., 9.; output += .5*1.+.1, .5*0.+.1, .5*1.+.1, .5*4.+.1, .5*9.+.1, .5*16.+.1, .5*25.+.1, .5*36.+.1, .5*49.+.1, .5*64.+.1; CPPUNIT_ASSERT_EQUAL( input.size(), output.size() ); } void PairPotential_HarmonicTest::tearDown() { } /** UnitTest for operator() */ void PairPotential_HarmonicTest::operatorTest() { PairPotential_Harmonic harmonic(.5,1.,.1); for (size_t index = 0; index < input.size(); ++index) { CPPUNIT_ASSERT( Helpers::isEqual( output[index], harmonic( FunctionModel::arguments_t(1,argument_t(input[index])) )[0] ) ); } } /** UnitTest for derivative() */ void PairPotential_HarmonicTest::derivativeTest() { PairPotential_Harmonic harmonic(.5,1.,.1); CPPUNIT_ASSERT( Helpers::isEqual( 0., harmonic.derivative( FunctionModel::arguments_t(1,argument_t(1.)) )[0] ) ); } /** UnitTest for parameter_derivative() */ void PairPotential_HarmonicTest::parameter_derivativeTest() { PairPotential_Harmonic harmonic(.5,1.,.1); CPPUNIT_ASSERT( Helpers::isEqual( 0., harmonic.parameter_derivative( FunctionModel::arguments_t(1,argument_t(1.)), 0 )[0] ) ); CPPUNIT_ASSERT( Helpers::isEqual( 0., harmonic.parameter_derivative( FunctionModel::arguments_t(1,argument_t(1.)), 1 )[0] ) ); CPPUNIT_ASSERT( Helpers::isEqual( 1., harmonic.parameter_derivative( FunctionModel::arguments_t(1,argument_t(1.)), 2 )[0] ) ); }