source: src/unittests/vectorunittest.cpp@ 986ed3

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 986ed3 was 36166d, checked in by Tillmann Crueger <crueger@…>, 15 years ago

Removed left over parts from old memory-tracker

  • Property mode set to 100644
File size: 6.8 KB
Line 
1/*
2 * unittest.cpp
3 *
4 * Created on: Aug 17, 2009
5 * Author: heber
6 */
7
8
9using namespace std;
10
11#include <cppunit/CompilerOutputter.h>
12#include <cppunit/extensions/TestFactoryRegistry.h>
13#include <cppunit/ui/text/TestRunner.h>
14
15#include "defs.hpp"
16#include "log.hpp"
17#include "vector.hpp"
18#include "vector_ops.hpp"
19#include "vectorunittest.hpp"
20#include "Plane.hpp"
21#include "Exceptions/LinearDependenceException.hpp"
22#include "Matrix.hpp"
23
24#ifdef HAVE_TESTRUNNER
25#include "UnitTestMain.hpp"
26#endif /*HAVE_TESTRUNNER*/
27
28#include <iostream>
29
30using namespace std;
31
32/********************************************** Test classes **************************************/
33
34// Registers the fixture into the 'registry'
35CPPUNIT_TEST_SUITE_REGISTRATION( VectorTest );
36
37
38void VectorTest::setUp()
39{
40 zero = Vector(0.,0.,0.);
41 unit = Vector(1.,0.,0.);
42 otherunit = Vector(0.,1.,0.);
43 notunit = Vector(0.,1.,1.);
44 two = Vector(2.,1.,0.);
45 three = Vector(1,2,3);
46};
47
48
49void VectorTest::tearDown()
50{
51 logger::purgeInstance();
52 errorLogger::purgeInstance();
53};
54
55/** UnitTest for Constructors and Vector::IsZero() and Vector::IsOne().
56 */
57void VectorTest::UnityTest()
58{
59 // unity and zero tests
60 CPPUNIT_ASSERT_EQUAL( true, zero.IsZero() );
61 CPPUNIT_ASSERT_EQUAL( false, zero.IsOne() );
62 CPPUNIT_ASSERT_EQUAL( false, unit.IsZero() );
63 CPPUNIT_ASSERT_EQUAL( true, unit.IsOne() );
64 CPPUNIT_ASSERT_EQUAL( false, notunit.IsOne() );
65 CPPUNIT_ASSERT_EQUAL( true, otherunit.IsOne() );
66 CPPUNIT_ASSERT_EQUAL( false, otherunit.IsZero() );
67};
68
69/** UnitTest for Vector::CopyVector(), Vector::AddVector, Vector::SubtractVector() and Vector::Scale()/
70 */
71void VectorTest::SimpleAlgebraTest()
72{
73 double factor;
74 // copy vector
75 fixture = Vector(2.,3.,4.);
76 CPPUNIT_ASSERT_EQUAL( Vector(2.,3.,4.), fixture );
77 // summation and scaling
78 fixture = zero + unit;
79 CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
80 fixture = zero - unit;
81 CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
82 CPPUNIT_ASSERT_EQUAL( false, fixture.IsZero() );
83 fixture = zero + zero;
84 CPPUNIT_ASSERT_EQUAL( true, fixture.IsZero() );
85 fixture = notunit - otherunit;
86 CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
87 fixture = unit - otherunit;
88 CPPUNIT_ASSERT_EQUAL( false, fixture.IsOne() );
89 fixture = notunit - unit - otherunit;
90 CPPUNIT_ASSERT_EQUAL( false, fixture.IsZero() );
91 fixture = 0.98 * unit;
92 CPPUNIT_ASSERT_EQUAL( false, fixture.IsOne() );
93 fixture = 1. * unit;
94 CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
95 factor = 0.98;
96 fixture = factor * unit;
97 CPPUNIT_ASSERT_EQUAL( false, fixture.IsOne() );
98 factor = 1.;
99 fixture = factor * unit;
100 CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
101};
102
103
104/** UnitTest for operator versions of Vector::CopyVector(), Vector::AddVector, Vector::SubtractVector() and Vector::Scale().
105 */
106void VectorTest::OperatorAlgebraTest()
107{
108 // summation and scaling
109 CPPUNIT_ASSERT_EQUAL( true, (zero+unit).IsOne() );
110 CPPUNIT_ASSERT_EQUAL( true, (zero+unit).IsOne() );
111 CPPUNIT_ASSERT_EQUAL( true, (zero-unit).IsOne() );
112 CPPUNIT_ASSERT_EQUAL( false, (zero-unit).IsZero() );
113 CPPUNIT_ASSERT_EQUAL( true, (zero+zero).IsZero() );
114 CPPUNIT_ASSERT_EQUAL( true, (notunit-otherunit).IsOne() );
115 CPPUNIT_ASSERT_EQUAL( false, (unit+otherunit).IsOne() );
116 CPPUNIT_ASSERT_EQUAL( false, (notunit-unit-otherunit).IsZero() );
117 CPPUNIT_ASSERT_EQUAL( false, (unit*0.98).IsOne() );
118 CPPUNIT_ASSERT_EQUAL( true, (unit*1.).IsOne() );
119
120 CPPUNIT_ASSERT_EQUAL( unit, (zero+unit) );
121 CPPUNIT_ASSERT_EQUAL( Vector(0.,0.,1.), (notunit-otherunit) );
122 CPPUNIT_ASSERT_EQUAL( Vector(-1, 0., 1.), (notunit-unit-otherunit) );
123};
124
125/** UnitTest for scalar products.
126 */
127void VectorTest::EuclidianScalarProductTest()
128{
129 CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(zero) );
130 CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(unit) );
131 CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(otherunit) );
132 CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(notunit) );
133 CPPUNIT_ASSERT_EQUAL( 1., unit.ScalarProduct(unit) );
134 CPPUNIT_ASSERT_EQUAL( 0., otherunit.ScalarProduct(unit) );
135 CPPUNIT_ASSERT_EQUAL( 0., otherunit.ScalarProduct(unit) );
136 CPPUNIT_ASSERT_EQUAL( 1., otherunit.ScalarProduct(notunit) );
137 CPPUNIT_ASSERT_EQUAL( 2., two.ScalarProduct(unit) );
138 CPPUNIT_ASSERT_EQUAL( 1., two.ScalarProduct(otherunit) );
139 CPPUNIT_ASSERT_EQUAL( 1., two.ScalarProduct(notunit) );
140}
141
142/** UnitTest for norms.
143 */
144void VectorTest::EuclidianNormTest()
145{
146 CPPUNIT_ASSERT_EQUAL( 0., zero.Norm() );
147 CPPUNIT_ASSERT_EQUAL( 0., zero.NormSquared() );
148 CPPUNIT_ASSERT_EQUAL( 1., unit.Norm() );
149 CPPUNIT_ASSERT_EQUAL( 1., unit.NormSquared() );
150 CPPUNIT_ASSERT_EQUAL( 1., otherunit.Norm() );
151 CPPUNIT_ASSERT_EQUAL( 1., otherunit.NormSquared() );
152 CPPUNIT_ASSERT_EQUAL( 2., notunit.NormSquared() );
153 CPPUNIT_ASSERT_EQUAL( sqrt(2.), notunit.Norm() );
154}
155
156/** UnitTest for distances.
157 */
158void VectorTest::EuclidianDistancesTest()
159{
160 CPPUNIT_ASSERT_EQUAL( 1., zero.distance(unit) );
161 CPPUNIT_ASSERT_EQUAL( sqrt(2.), otherunit.distance(unit) );
162 CPPUNIT_ASSERT_EQUAL( sqrt(2.), zero.distance(notunit) );
163 CPPUNIT_ASSERT_EQUAL( 1., otherunit.distance(notunit) );
164 CPPUNIT_ASSERT_EQUAL( sqrt(5.), two.distance(notunit) );
165}
166
167/** UnitTest for angles.
168 */
169void VectorTest::EuclidianAnglesTest()
170{
171 CPPUNIT_ASSERT_EQUAL( M_PI, zero.Angle(unit) );
172 CPPUNIT_ASSERT_EQUAL( 0., unit.Angle(unit) );
173 CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/2. - otherunit.Angle(unit)) < MYEPSILON );
174 CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/2. - unit.Angle(notunit)) < MYEPSILON );
175 CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/4. - otherunit.Angle(notunit)) < MYEPSILON );
176};
177
178/** UnitTest for projections.
179 */
180void VectorTest::ProjectionTest()
181{
182 CPPUNIT_ASSERT_EQUAL( zero, zero.Projection(unit) );
183 CPPUNIT_ASSERT_EQUAL( zero, otherunit.Projection(unit) );
184 CPPUNIT_ASSERT_EQUAL( Vector(0.4,0.2,0.), otherunit.Projection(two) );
185 CPPUNIT_ASSERT_EQUAL( Vector(0.,1.,0.), two.Projection(otherunit) );
186};
187
188/**
189 * Unittest for operation with normals
190 */
191void VectorTest::NormalsTest(){
192 Vector testVector;
193 // the zero Vector should produce an error
194 CPPUNIT_ASSERT(!testVector.GetOneNormalVector(zero));
195
196 // first one-component system
197 CPPUNIT_ASSERT(testVector.GetOneNormalVector(unit));
198 CPPUNIT_ASSERT(testVector.ScalarProduct(unit) < MYEPSILON);
199
200 // second one-component system
201 CPPUNIT_ASSERT(testVector.GetOneNormalVector(otherunit));
202 CPPUNIT_ASSERT(testVector.ScalarProduct(otherunit) < MYEPSILON);
203
204 // first two-component system
205 CPPUNIT_ASSERT(testVector.GetOneNormalVector(notunit));
206 CPPUNIT_ASSERT(testVector.ScalarProduct(notunit) < MYEPSILON);
207
208 // second two-component system
209 CPPUNIT_ASSERT(testVector.GetOneNormalVector(two));
210 CPPUNIT_ASSERT(testVector.ScalarProduct(two) < MYEPSILON);
211
212 // three component system
213 CPPUNIT_ASSERT(testVector.GetOneNormalVector(three));
214 CPPUNIT_ASSERT(testVector.ScalarProduct(three) < MYEPSILON);
215}
Note: See TracBrowser for help on using the repository browser.