/* * 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 . */ /* * CheckAgainstAdjacencyFileUnitTest.cpp * * Created on: Oct 17, 2011 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CheckAgainstAdjacencyFileUnitTest.hpp" #include #include #include #include #include #include #include #include #include "CodePatterns/Assert.hpp" #include "CodePatterns/Log.hpp" #include "Atom/atom.hpp" #include "Descriptors/AtomDescriptor.hpp" #include "Element/element.hpp" #include "Element/periodentafel.hpp" #include "Graph/CheckAgainstAdjacencyFile.hpp" #include "molecule.hpp" #include "World.hpp" #include "WorldTime.hpp" #ifdef HAVE_TESTRUNNER #include "UnitTestMain.hpp" #endif /*HAVE_TESTRUNNER*/ /********************************************** Test classes **************************************/ // Registers the fixture into the 'registry' CPPUNIT_TEST_SUITE_REGISTRATION( CheckAgainstAdjacencyFileTest ); static std::string adjacencyfile ="\ 1 2\n\ 2 1 3\n\ 3 2 4\n\ 4 3 5\n\ 5 4 6\n\ 6 5 7\n\ 7 6 8\n\ 8 7 9\n\ 9 8 10\n\ 10 9\n"; static std::string wrongadjacencyfile1 ="\ 1 2\n\ 2 1\n\ 4 5\n\ 5 4 6\n\ 6 5 7\n\ 7 6 8\n\ 8 7 9\n\ 9 8 10\n\ 10 9\n"; static std::string wrongadjacencyfile2 ="\ 1 2\n\ 2 1 3\n\ 3 2 4\n\ 4 3 5\n\ 5 4 6\n\ 6 5 7\n\ 7 6 8\n\ 8 7 9\n\ 9 8 10\n\ 10 9 11\n\ 11 10"; static std::string wrongadjacencyfile3 ="\ 1 2\n\ 2 1 3\n\ 3 2 4\n\ 4 3 5\n\ 5 4 7\n\ 6\n\ 7 5 8\n\ 8 7 9\n\ 9 8 10\n\ 10 9 11\n\ 11 10"; // set up and tear down void CheckAgainstAdjacencyFileTest::setUp() { // failing asserts should be thrown ASSERT_DO(Assert::Throw); const element *hydrogen = World::getInstance().getPeriode()->FindElement(1); CPPUNIT_ASSERT(hydrogen != NULL); TestMolecule = World::getInstance().createMolecule(); CPPUNIT_ASSERT(TestMolecule != NULL); for(int i=0;isetType(hydrogen); TestMolecule->AddAtom(_atom); atoms.push_back(_atom); atomIds.push_back(_atom->getId()); } CPPUNIT_ASSERT_EQUAL( (size_t)ATOM_COUNT, atoms.size()); CPPUNIT_ASSERT_EQUAL( (size_t)ATOM_COUNT, atomIds.size()); // create linear chain for(int i=0;iaddBond(WorldTime::getTime(), atoms[i+1]); // create map as it should be for(int i=0;iremoveAtomsinMolecule(); World::getInstance().destroyMolecule(TestMolecule); // destroy World World::purgeInstance(); // logger::purgeInstance(); // errorLogger::purgeInstance(); } /** Unit tests for CheckAgainstAdjacencyFile::CreateExternalMap(). * */ void CheckAgainstAdjacencyFileTest::CreateExternalMapTest() { std::stringstream input; CheckAgainstAdjacencyFile fileChecker(input); fileChecker.CreateExternalMap(atomIds); // check size (it's 8*2 + 2*1 = 18 keys) CPPUNIT_ASSERT_EQUAL( (size_t)18, fileChecker.ExternalAtomBondMap.size() ); CPPUNIT_ASSERT_EQUAL( (size_t)0, fileChecker.InternalAtomBondMap.size() ); // check equality CPPUNIT_ASSERT( comparisonMap.size() == fileChecker.ExternalAtomBondMap.size() ); // std::cout << "comparisonMap: " << comparisonMap << std::endl; // std::cout << "fileChecker.InternalAtomBondMap: " << fileChecker.InternalAtomBondMap << std::endl; CPPUNIT_ASSERT( comparisonMap == fileChecker.ExternalAtomBondMap ); // check non-equality: more comparisonMap.insert( std::make_pair( (atomId_t)10, (atomId_t)8) ); CPPUNIT_ASSERT( comparisonMap != fileChecker.ExternalAtomBondMap ); comparisonMap.erase((atomId_t)10); // check non-equality: less comparisonMap.erase((atomId_t)9); CPPUNIT_ASSERT( comparisonMap != fileChecker.ExternalAtomBondMap ); } /** Unit tests for CheckAgainstAdjacencyFile::ParseInInternalMap(). * */ void CheckAgainstAdjacencyFileTest::ParseInInternalMapTest() { std::stringstream input(adjacencyfile); CheckAgainstAdjacencyFile fileChecker(input); std::vector noids; fileChecker.CreateExternalMap(noids); // check size (it's 8*2 + 2*1 = 18 keys) CPPUNIT_ASSERT_EQUAL( (size_t)0, fileChecker.ExternalAtomBondMap.size() ); CPPUNIT_ASSERT_EQUAL( (size_t)18, fileChecker.InternalAtomBondMap.size() ); // check equality CPPUNIT_ASSERT( comparisonMap.size() == fileChecker.InternalAtomBondMap.size() ); CPPUNIT_ASSERT( comparisonMap == fileChecker.InternalAtomBondMap ); // check non-equality: more comparisonMap.insert( std::make_pair( (atomId_t)10, (atomId_t)8) ); CPPUNIT_ASSERT( comparisonMap != fileChecker.InternalAtomBondMap ); comparisonMap.erase((atomId_t)10); // check non-equality: less comparisonMap.erase((atomId_t)9); CPPUNIT_ASSERT( comparisonMap != fileChecker.InternalAtomBondMap ); } /** Unit tests for CheckAgainstAdjacencyFile::CompareInternalExternalMap(). * */ void CheckAgainstAdjacencyFileTest::CompareInternalExternalMapTest() { std::stringstream input(adjacencyfile); CheckAgainstAdjacencyFile fileChecker(input); // assert equality before parsing (empty sets should always return true) CPPUNIT_ASSERT( fileChecker.ExternalAtomBondMap.size() != fileChecker.InternalAtomBondMap.size() ); CPPUNIT_ASSERT( fileChecker.ExternalAtomBondMap != fileChecker.InternalAtomBondMap ); CPPUNIT_ASSERT( fileChecker.CompareInternalExternalMap() ); // parse in external map fileChecker.CreateExternalMap(atomIds); // assert equality after parsing CPPUNIT_ASSERT_EQUAL( fileChecker.ExternalAtomBondMap.size(), fileChecker.InternalAtomBondMap.size() ); CPPUNIT_ASSERT_EQUAL( fileChecker.ExternalAtomBondMap, fileChecker.InternalAtomBondMap ); CPPUNIT_ASSERT( fileChecker.CompareInternalExternalMap() ); } /** Unit tests for CheckAgainstAdjacencyFile::operator()(). * */ void CheckAgainstAdjacencyFileTest::operatorTest() { { // parse right std::stringstream input(adjacencyfile); CheckAgainstAdjacencyFile fileChecker(input); CPPUNIT_ASSERT( fileChecker(atomIds) ); } { // parse wrong1 (more atoms in the world than in file, hence wrong) std::stringstream input(wrongadjacencyfile1); CheckAgainstAdjacencyFile fileChecker(input); CPPUNIT_ASSERT( !fileChecker(atomIds) ); } { // remove third atom (index starts at 0) and test for equality then std::vector validids; std::remove_copy_if(atomIds.begin(), atomIds.end(), std::back_inserter(validids), boost::lambda::_1 == (atomId_t)2); CPPUNIT_ASSERT_EQUAL( (size_t)ATOM_COUNT-1, validids.size() ); // parse wrong1 (more atoms in the world than in file, hence wrong) std::stringstream input(wrongadjacencyfile1); CheckAgainstAdjacencyFile fileChecker(input); CPPUNIT_ASSERT( fileChecker(validids) ); } { // parse wrong2 (there is no atom 10, but present in file. hence true) std::stringstream input(wrongadjacencyfile2); CheckAgainstAdjacencyFile fileChecker(input); CPPUNIT_ASSERT( !fileChecker(atomIds) ); } { // parse wrong3 (6 is not connected) std::stringstream input(wrongadjacencyfile3); CheckAgainstAdjacencyFile fileChecker(input); CPPUNIT_ASSERT( !fileChecker(atomIds) ); } }