/* * AnalysisPairCorrelationUnitTest.cpp * * Created on: Oct 13, 2009 * Author: heber */ using namespace std; #include #include #include #include #include "analysis_correlation.hpp" #include "AnalysisPairCorrelationUnitTest.hpp" #include "atom.hpp" #include "boundary.hpp" #include "element.hpp" #include "molecule.hpp" #include "linkedcell.hpp" #include "periodentafel.hpp" #include "tesselation.hpp" /********************************************** Test classes **************************************/ // Registers the fixture into the 'registry' CPPUNIT_TEST_SUITE_REGISTRATION( AnalysisPairCorrelationUnitTest ); void AnalysisPairCorrelationUnitTest::setUp() { atom *Walker = NULL; // init private all pointers to zero TestList = NULL; TestMolecule = NULL; hydrogen = NULL; tafel = NULL; correlationmap = NULL; binmap = NULL; // construct element hydrogen = new element; hydrogen->Z = 1; strcpy(hydrogen->name, "hydrogen"); strcpy(hydrogen->symbol, "H"); // construct periodentafel tafel = new periodentafel; tafel->AddElement(hydrogen); // construct molecule (tetraeder of hydrogens) TestMolecule = new molecule(tafel); Walker = new atom(); Walker->type = hydrogen; Walker->node->Init(1., 0., 1. ); TestMolecule->AddAtom(Walker); Walker = new atom(); Walker->type = hydrogen; Walker->node->Init(0., 1., 1. ); TestMolecule->AddAtom(Walker); Walker = new atom(); Walker->type = hydrogen; Walker->node->Init(1., 1., 0. ); TestMolecule->AddAtom(Walker); Walker = new atom(); Walker->type = hydrogen; Walker->node->Init(0., 0., 0. ); TestMolecule->AddAtom(Walker); // check that TestMolecule was correctly constructed CPPUNIT_ASSERT_EQUAL( TestMolecule->AtomCount, 4 ); TestList = new MoleculeListClass; TestMolecule->ActiveFlag = true; TestList->insert(TestMolecule); // init maps correlationmap = PairCorrelation( TestList, hydrogen, hydrogen ); binmap = NULL; }; void AnalysisPairCorrelationUnitTest::tearDown() { if (correlationmap != NULL) delete(correlationmap); if (binmap != NULL) delete(binmap); // remove delete(TestList); // note that all the atoms are cleaned by TestMolecule delete(tafel); // note that element is cleaned by periodentafel }; void AnalysisPairCorrelationUnitTest::PairCorrelationTest() { // do the pair correlation CPPUNIT_ASSERT( correlationmap != NULL ); CPPUNIT_ASSERT_EQUAL( (size_t)6, correlationmap->size() ); }; void AnalysisPairCorrelationUnitTest::PairCorrelationBinNoRangeTest() { BinPairMap::iterator tester; // put pair correlation into bins and check with no range binmap = BinData( correlationmap, 0.5, 0., 0. ); CPPUNIT_ASSERT_EQUAL( (size_t)1, binmap->size() ); //OutputCorrelation ( binmap ); tester = binmap->begin(); CPPUNIT_ASSERT_EQUAL( sqrt(2.), tester->first ); CPPUNIT_ASSERT_EQUAL( 6, tester->second ); }; void AnalysisPairCorrelationUnitTest::PairCorrelationBinRangeTest() { BinPairMap::iterator tester; // ... and check with [0., 2.] range binmap = BinData( correlationmap, 0.5, 0., 2. ); CPPUNIT_ASSERT_EQUAL( (size_t)5, binmap->size() ); //OutputCorrelation ( binmap ); tester = binmap->begin(); CPPUNIT_ASSERT_EQUAL( 0., tester->first ); tester = binmap->find(1.); CPPUNIT_ASSERT_EQUAL( 1., tester->first ); CPPUNIT_ASSERT_EQUAL( 6, tester->second ); }; /********************************************** Main routine **************************************/ int main(int argc, char **argv) { // Get the top level suite from the registry CppUnit::Test *suite = CppUnit::TestFactoryRegistry::getRegistry().makeTest(); // Adds the test to the list of test to run CppUnit::TextUi::TestRunner runner; runner.addTest( suite ); // Change the default outputter to a compiler error format outputter runner.setOutputter( new CppUnit::CompilerOutputter( &runner.result(), std::cerr ) ); // Run the tests. bool wasSucessful = runner.run(); // Return error code 1 if the one of test failed. return wasSucessful ? 0 : 1; };