source: src/Fragmentation/Summation/SetValues/unittests/SamplingGridPropertiesUnitTest.cpp@ d93b4b3

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
Last change on this file since d93b4b3 was 955051, checked in by Frederik Heber <heber@…>, 11 years ago

Added (in)equality operators to all SetValues.

  • Property mode set to 100644
File size: 4.9 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2012 University of Bonn. All rights reserved.
5 * Copyright (C) 2013 Frederik Heber. All rights reserved.
6 *
7 *
8 * This file is part of MoleCuilder.
9 *
10 * MoleCuilder is free software: you can redistribute it and/or modify
11 * it under the terms of the GNU General Public License as published by
12 * the Free Software Foundation, either version 2 of the License, or
13 * (at your option) any later version.
14 *
15 * MoleCuilder is distributed in the hope that it will be useful,
16 * but WITHOUT ANY WARRANTY; without even the implied warranty of
17 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18 * GNU General Public License for more details.
19 *
20 * You should have received a copy of the GNU General Public License
21 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
22 */
23
24/*
25 * SamplingGridPropertiesUnitTest.cpp
26 *
27 * Created on: Jul 29, 2012
28 * Author: heber
29 */
30
31// include config.h
32#ifdef HAVE_CONFIG_H
33#include <config.h>
34#endif
35
36using namespace std;
37
38#include <cppunit/CompilerOutputter.h>
39#include <cppunit/extensions/TestFactoryRegistry.h>
40#include <cppunit/ui/text/TestRunner.h>
41
42// include headers that implement a archive in simple text format
43#include <boost/archive/text_oarchive.hpp>
44#include <boost/archive/text_iarchive.hpp>
45
46#include "SamplingGridPropertiesUnitTest.hpp"
47
48#include "CodePatterns/Assert.hpp"
49
50#ifdef HAVE_TESTRUNNER
51#include "UnitTestMain.hpp"
52#endif /*HAVE_TESTRUNNER*/
53
54/********************************************** Test classes **************************************/
55
56// Registers the fixture into the 'registry'
57CPPUNIT_TEST_SUITE_REGISTRATION( SamplingGridPropertiesTest );
58
59
60void SamplingGridPropertiesTest::setUp()
61{
62 // failing asserts should be thrown
63 ASSERT_DO(Assert::Throw);
64
65 // create the grid
66 const double begin[3] = { 0., 0., 0. };
67 const double end[3] = { 1., 1., 1. };
68 props = new SamplingGridProperties(begin, end, 2);
69}
70
71
72void SamplingGridPropertiesTest::tearDown()
73{
74 delete props;
75}
76
77/** UnitTest for isCompatible()
78 */
79void SamplingGridPropertiesTest::isCompatible_Test()
80{
81 const double begin[3] = { 0., 0., 0. };
82 const double otherbegin[3] = { 1., 0.1, -0.5 };
83 const double end[3] = { 1., 1., 1. };
84 const double otherend[3] = { 2., 2., 2. };
85
86 // create other props
87 SamplingGridProperties sameprops(begin, end, 2);
88 SamplingGridProperties otherprops(otherbegin, end, 2);
89 SamplingGridProperties anotherprops(begin, otherend, 2);
90 SamplingGridProperties moreotherprops(begin, end, 4);
91
92 // only checks for same level
93 CPPUNIT_ASSERT( props->isCompatible(*props) );
94 CPPUNIT_ASSERT( props->isCompatible(sameprops) );
95 CPPUNIT_ASSERT( sameprops.isCompatible(*props) );
96 CPPUNIT_ASSERT( props->isCompatible(otherprops) );
97 CPPUNIT_ASSERT( otherprops.isCompatible(*props) );
98 CPPUNIT_ASSERT( props->isCompatible(anotherprops) );
99 CPPUNIT_ASSERT( anotherprops.isCompatible(*props) );
100 CPPUNIT_ASSERT( !props->isCompatible(moreotherprops) );
101 CPPUNIT_ASSERT( !moreotherprops.isCompatible(*props) );
102}
103
104/** UnitTest for operator==()
105 */
106void SamplingGridPropertiesTest::equality_Test()
107{
108 const double begin[3] = { 0., 0., 0. };
109 const double otherbegin[3] = { 1., 0.1, -0.5 };
110 const double end[3] = { 1., 1., 1. };
111 const double otherend[3] = { 2., 2., 2. };
112
113 // create other props
114 SamplingGridProperties sameprops(begin, end, 2);
115 SamplingGridProperties otherprops(otherbegin, end, 2);
116 SamplingGridProperties anotherprops(begin, otherend, 2);
117 SamplingGridProperties moreotherprops(begin, end, 4);
118
119 // check for same level, begin, and end
120 CPPUNIT_ASSERT( *props == *props );
121 CPPUNIT_ASSERT( *props == sameprops );
122 CPPUNIT_ASSERT( sameprops == *props);
123 CPPUNIT_ASSERT( *props != otherprops);
124 CPPUNIT_ASSERT( otherprops != *props);
125 CPPUNIT_ASSERT( *props != anotherprops );
126 CPPUNIT_ASSERT( anotherprops != *props );
127 CPPUNIT_ASSERT( *props != moreotherprops );
128 CPPUNIT_ASSERT( moreotherprops != *props );
129
130 // check against ZeroInstance
131 CPPUNIT_ASSERT( *props != ZeroInstance<SamplingGridProperties>() );
132 CPPUNIT_ASSERT( sameprops != ZeroInstance<SamplingGridProperties>() );
133 CPPUNIT_ASSERT( otherprops != ZeroInstance<SamplingGridProperties>() );
134 CPPUNIT_ASSERT( anotherprops != ZeroInstance<SamplingGridProperties>() );
135 CPPUNIT_ASSERT( moreotherprops != ZeroInstance<SamplingGridProperties>() );
136}
137
138
139/** UnitTest for serialization
140 */
141void SamplingGridPropertiesTest::serializeTest()
142{
143 // serialize
144 std::stringstream outputstream;
145 boost::archive::text_oarchive oa(outputstream);
146 oa << props;
147
148 // deserialize
149 SamplingGridProperties *sameprops = NULL;
150 std::stringstream returnstream(outputstream.str());
151 boost::archive::text_iarchive ia(returnstream);
152 ia >> sameprops;
153
154 CPPUNIT_ASSERT( sameprops != NULL );
155 CPPUNIT_ASSERT( *props == *sameprops );
156
157 delete sameprops;
158}
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