| [bcf653] | 1 | /*
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 | 2 |  * Project: MoleCuilder
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 | 3 |  * Description: creates and alters molecular systems
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 | 4 |  * Copyright (C)  2010 University of Bonn. All rights reserved.
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 | 5 |  * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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 | 6 |  */
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 | 7 | 
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| [4eb4fe] | 8 | /*
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| [f844ef] | 9 |  * PeriodentafelUnitTest.cpp
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| [4eb4fe] | 10 |  *
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 | 11 |  *  Created on: May 18, 2010
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 | 12 |  *      Author: heber
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 | 13 |  */
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 | 14 | 
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| [bf3817] | 15 | // include config.h
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 | 16 | #ifdef HAVE_CONFIG_H
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 | 17 | #include <config.h>
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 | 18 | #endif
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 | 19 | 
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| [4eb4fe] | 20 | using namespace std;
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 | 21 | 
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 | 22 | #include <cppunit/CompilerOutputter.h>
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 | 23 | #include <cppunit/extensions/TestFactoryRegistry.h>
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 | 24 | #include <cppunit/ui/text/TestRunner.h>
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 | 25 | 
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| [e5c0a1] | 26 | #include <sstream>
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 | 27 | #include <iostream>
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 | 28 | 
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| [ad011c] | 29 | #include "CodePatterns/Assert.hpp"
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| [4eb4fe] | 30 | 
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 | 31 | #include "World.hpp"
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 | 32 | #include "element.hpp"
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 | 33 | #include "elements_db.hpp"
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 | 34 | #include "periodentafel.hpp"
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 | 35 | 
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| [f844ef] | 36 | #include "PeriodentafelUnitTest.hpp"
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 | 37 | 
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| [b60804] | 38 | // include headers that implement a archive in simple text format
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 | 39 | #include <boost/archive/text_oarchive.hpp>
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 | 40 | #include <boost/archive/text_iarchive.hpp>
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 | 41 | 
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| [4eb4fe] | 42 | #ifdef HAVE_TESTRUNNER
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 | 43 | #include "UnitTestMain.hpp"
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 | 44 | #endif /*HAVE_TESTRUNNER*/
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 | 45 | 
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 | 46 | /********************************************** Test classes **************************************/
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 | 47 | 
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 | 48 | // Registers the fixture into the 'registry'
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 | 49 | CPPUNIT_TEST_SUITE_REGISTRATION( periodentafelTest );
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 | 50 | 
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 | 51 | 
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 | 52 | void periodentafelTest::setUp()
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 | 53 | {
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 | 54 |   // make sure world is present
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 | 55 |   tafel = World::getInstance().getPeriode();
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 | 56 |   CPPUNIT_ASSERT(tafel != NULL && "could not obtain periodentafel");
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 | 57 | };
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 | 58 | 
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 | 59 | 
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 | 60 | void periodentafelTest::tearDown()
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 | 61 | {
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 | 62 |   World::purgeInstance();
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 | 63 | };
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 | 64 | 
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 | 65 | /** UnitTest for AddRemoveTest().
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 | 66 |  */
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 | 67 | void periodentafelTest::AddRemoveTest()
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 | 68 | {
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 | 69 |   // copy the element
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 | 70 |   const element * ElementPtr = tafel->FindElement(3);
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 | 71 |   CPPUNIT_ASSERT( ElementPtr != NULL && "could not find element lithium");
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 | 72 |   element *Elemental = new element(*ElementPtr);
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 | 73 |   // remove element
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 | 74 |   tafel->RemoveElement((element * const)ElementPtr);
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 | 75 |   ElementPtr = tafel->FindElement(3);
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 | 76 |   CPPUNIT_ASSERT_EQUAL( (const element *)NULL, ElementPtr );
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 | 77 |   // add element again
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 | 78 |   tafel->AddElement((element * const)Elemental);
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 | 79 |   ElementPtr = tafel->FindElement(3);
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 | 80 |   CPPUNIT_ASSERT( ElementPtr != NULL && "could not find re-added element lithium");
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 | 81 | };
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 | 82 | 
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 | 83 | /** UnitTest for LoadStoreTest().
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 | 84 |  * TODO: periodentafelTest::LoadStoreTest() not implemented yet
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 | 85 |  */
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 | 86 | void periodentafelTest::LoadStoreTest()
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 | 87 | {
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 | 88 |   // reload all databases
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| [e5c0a1] | 89 |   stringstream elementsDBstream(elementsDB,ios_base::in);
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| [67c92b] | 90 |   stringstream ElectronegativityDBstream(ElectronegativitiesDB,ios_base::in);
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 | 91 |   stringstream valenceDBstream(valenceDB,ios_base::in);
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 | 92 |   stringstream orbitalsDBstream(orbitalsDB,ios_base::in);
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 | 93 |   stringstream HbondangleDBstream(HbondangleDB,ios_base::in);
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 | 94 |   stringstream HbonddistanceDBstream(HbonddistanceDB,ios_base::in);
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| [064178] | 95 |   stringstream ColorDBstream(ColorDB,ios_base::in);
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| [e5c0a1] | 96 |   CPPUNIT_ASSERT(tafel->LoadElementsDatabase(elementsDBstream) && "General element initialization failed");
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| [67c92b] | 97 |   CPPUNIT_ASSERT(tafel->LoadElectronegativityDatabase(ElectronegativityDBstream) && "Electronegativity entry of element initialization failed");
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 | 98 |   CPPUNIT_ASSERT(tafel->LoadValenceDatabase(valenceDBstream) && "Valence entry of element initialization failed");
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 | 99 |   CPPUNIT_ASSERT(tafel->LoadOrbitalsDatabase(orbitalsDBstream) && "Orbitals entry of element initialization failed");
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 | 100 |   CPPUNIT_ASSERT(tafel->LoadHBondAngleDatabase(HbondangleDBstream) && "HBond angle entry of element initialization failed");
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 | 101 |   CPPUNIT_ASSERT(tafel->LoadHBondLengthsDatabase(HbonddistanceDBstream) && "HBond distance entry of element initialization failed");
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| [064178] | 102 |   CPPUNIT_ASSERT(tafel->LoadColorDatabase(ColorDBstream) && "color entry of element initialization failed");
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| [4eb4fe] | 103 |   // check presence of elements
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 | 104 |   atomicNumber_t Z = 1;
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 | 105 |   for(periodentafel::const_iterator ElementRunner = tafel->begin(); ElementRunner != tafel->end(); ++ElementRunner)
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 | 106 |     CPPUNIT_ASSERT( (ElementRunner->second->getNumber() == Z++) && "element is missing in sequence");
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 | 107 | };
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| [b60804] | 108 | 
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 | 109 | /** UnitTest for serialization
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 | 110 |  *
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 | 111 |  */
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 | 112 | void periodentafelTest::ComparisonTest()
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 | 113 | {
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 | 114 |   periodentafel *newtafel = new periodentafel();
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 | 115 | 
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 | 116 |   CPPUNIT_ASSERT (*newtafel == *tafel );
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 | 117 | 
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 | 118 |   element *Elemental = new element();
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 | 119 |   newtafel->AddElement((element * const)Elemental);
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 | 120 | 
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 | 121 |   CPPUNIT_ASSERT (*newtafel != *tafel );
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 | 122 | 
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 | 123 |   delete newtafel;
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 | 124 | }
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 | 125 | 
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 | 126 | std::string gatherUndoInformation()
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 | 127 | {
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 | 128 |   // create undo state
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 | 129 |   std::stringstream undostream;
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 | 130 |   boost::archive::text_oarchive oa(undostream);
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 | 131 |   oa << World::getInstance().getPeriode();
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 | 132 |   return undostream.str();
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 | 133 | }
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 | 134 | 
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 | 135 | /** UnitTest for serialization
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 | 136 |  *
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 | 137 |  */
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 | 138 | void periodentafelTest::SerializeTest()
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 | 139 | {
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 | 140 |   // write element to stream
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 | 141 |   std::stringstream stream(gatherUndoInformation());
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 | 142 | //  boost::archive::text_oarchive oa(stream);
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 | 143 | //  oa << World::getInstance().getPeriode();
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 | 144 | //  //oa << tafel;
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 | 145 | //
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 | 146 | //  //std::cout << "Contents of archive is " << stream.str() << std::endl;
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 | 147 | //
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 | 148 | //  // create and open an archive for input
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 | 149 |   boost::archive::text_iarchive ia(stream);
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 | 150 |   // read class state from archive
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 | 151 |   periodentafel * newtafel;
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 | 152 | 
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 | 153 |   ia >> newtafel;
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 | 154 | 
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 | 155 |   CPPUNIT_ASSERT (*tafel == *newtafel);
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 | 156 | }
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