source: src/Fragmentation/Homology/unittests/HomologyContainerUnitTest.cpp@ c8f12e

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable v1.3.7
Last change on this file since c8f12e was 12a24c, checked in by Frederik Heber <heber@…>, 12 years ago

Added serialization to HomologyContainer and completed HomologyContainerUnitTest.

  • Added specific operator==() to HomologyContainer as multimap's values' ordering is not guaranteed and boost::serialization does not adhere to it (simple copy of multimap probably maintains the ordering).
  • added InsertionTest, EqualityTest, and serializeTest().
  • Property mode set to 100644
File size: 4.6 KB
RevLine 
[4694df]1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2012 University of Bonn. All rights reserved.
5 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * HomologyContainerUnitTest.cpp
25 *
[8387e0]26 * Created on: Sep 22, 2012
[4694df]27 * Author: heber
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35using namespace std;
36
37#include <cppunit/CompilerOutputter.h>
38#include <cppunit/extensions/TestFactoryRegistry.h>
39#include <cppunit/ui/text/TestRunner.h>
40
41// include headers that implement a archive in simple text format
42#include <boost/archive/text_oarchive.hpp>
43#include <boost/archive/text_iarchive.hpp>
44
[12a24c]45#include <boost/assign.hpp>
46
[4694df]47#include "Fragmentation/Homology/HomologyContainer.hpp"
48#include "Fragmentation/Graph.hpp"
49
50#include "HomologyContainerUnitTest.hpp"
51
[12a24c]52#include <sstream>
53
54using namespace boost::assign;
55
[4694df]56#ifdef HAVE_TESTRUNNER
57#include "UnitTestMain.hpp"
58#endif /*HAVE_TESTRUNNER*/
59
60/********************************************** Test classes **************************************/
61
62// Registers the fixture into the 'registry'
63CPPUNIT_TEST_SUITE_REGISTRATION( HomologyContainerTest );
64
65
66void HomologyContainerTest::setUp()
67{
[12a24c]68 // add nodes
69 nodes +=
70 FragmentNode(1,1),
71 FragmentNode(1,4),
72 FragmentNode(2,2),
73 FragmentNode(2,4);
74 othernodes +=
75 FragmentNode(1,1),
76 FragmentNode(1,4);
77
78 // add edges
79 edges +=
80 FragmentEdge(1,1),
81 FragmentEdge(1,4),
82 FragmentEdge(2,2),
83 FragmentEdge(2,4);
84 otheredges +=
85 FragmentEdge(1,4),
86 FragmentEdge(2,2);
87
88 // construct graphs
89 HomologyGraph graph(nodes, edges);
90 HomologyGraph othergraph(othernodes, otheredges);
91
92 // place in container
93 Fragment::position_t pos(3, 0.);
94 Fragment::positions_t positions(1, pos);
95 Fragment::charges_t charges(1,1.);
96 Fragment dummy(positions, charges);
97 charges[0] = 6.;
98 positions[0][0] = 1.;
99 Fragment dummy1(positions, charges);
100 positions[0][0] = 2.;
101 Fragment dummy2(positions, charges);
102 container +=
103 std::make_pair( graph, std::make_pair(dummy1, 1.) ),
104 std::make_pair( graph, std::make_pair(dummy2, 1.5) ),
105 std::make_pair( othergraph, std::make_pair(dummy, 2.) );
106 // create HomologyContainer
107 Keys = new HomologyContainer(container);
[4694df]108}
109
110
111void HomologyContainerTest::tearDown()
112{
113 delete Keys;
114}
115
116/** UnitTest for whether homologies are correctly recognized
117 */
118void HomologyContainerTest::InsertionTest()
119{
[12a24c]120 // construct graphs
121 HomologyGraph graph(nodes, edges);
122
123 HomologyContainer::container_t newcontainer;
124 Fragment::position_t pos(3, 0.);
125 Fragment::positions_t positions(1, pos);
126 Fragment::charges_t charges(1,1.);
127 Fragment dummy(positions, charges);
128 newcontainer +=
129 std::make_pair( graph, std::make_pair(dummy, 1.) );
130
131 Keys->insert(newcontainer);
132
133 CPPUNIT_ASSERT_EQUAL( (size_t)4, Keys->container.size() );
134}
135
136/** UnitTest for operator==() works correctly.
137 */
138void HomologyContainerTest::EqualityTest()
139{
140 // compare same container
141 CPPUNIT_ASSERT( *Keys == *Keys );
142
143 // construct other container
144 HomologyGraph graph(nodes, edges);
145 HomologyContainer::container_t newcontainer;
146 Fragment::position_t pos(3, 0.);
147 Fragment::positions_t positions(1, pos);
148 Fragment::charges_t charges(1,1.);
149 Fragment dummy(positions, charges);
150 newcontainer +=
151 std::make_pair( graph, std::make_pair(dummy, 1.) );
152
153 HomologyContainer other(newcontainer);
154
155 CPPUNIT_ASSERT( *Keys != other );
156}
157
158/** UnitTest for serialization
159 */
160void HomologyContainerTest::serializeTest()
161{
162 // serialize
163 std::stringstream outputstream;
164 boost::archive::text_oarchive oa(outputstream);
165 oa << Keys;
166
167 // deserialize
168 HomologyContainer *samekeys = NULL;
169 std::stringstream returnstream(outputstream.str());
170 boost::archive::text_iarchive ia(returnstream);
171 ia >> samekeys;
172
173 CPPUNIT_ASSERT( samekeys != NULL );
174 //std::cout << *Keys << std::endl;
175 CPPUNIT_ASSERT_EQUAL( *Keys, *samekeys );
176
177 delete samekeys;
[4694df]178}
Note: See TracBrowser for help on using the repository browser.