source: src/unittests/ActOnAllUnitTest.cpp@ fc1b24

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 fc1b24 was e138de, checked in by Frederik Heber <heber@…>, 15 years ago

Huge change from ofstream * (const) out --> Log().

  • first shift was done via regular expressions
  • then via error messages from the code
  • note that class atom, class element and class molecule kept in parts their output stream, was they print to file.
  • make check runs fine
  • MISSING: Verbosity is not fixed for everything (i.e. if no endl; is present and next has Verbose(0) ...)

Signed-off-by: Frederik Heber <heber@…>

  • Property mode set to 100644
File size: 3.9 KB
Line 
1/*
2 * ActOnAllUnitTest.cpp
3 *
4 * Created on: 04.10.2009
5 * Author: FrederikHeber
6 */
7
8using namespace std;
9
10#include <cppunit/CompilerOutputter.h>
11#include <cppunit/extensions/TestFactoryRegistry.h>
12#include <cppunit/ui/text/TestRunner.h>
13
14#include "../test/ActOnAlltest.hpp"
15#include "ActOnAllUnitTest.hpp"
16#include "memoryallocator.hpp"
17#include "vector.hpp"
18
19/********************************************** Test classes **************************************/
20
21// Registers the fixture into the 'registry'
22CPPUNIT_TEST_SUITE_REGISTRATION( ActOnAllTest );
23
24
25void ActOnAllTest::setUp()
26{
27 Vector *temp = NULL;
28 // fill list with vectors
29 temp = new Vector(1,0,0);
30 VL.AddVector(temp);
31 temp = new Vector(0,1,0);
32 VL.AddVector(temp);
33 temp = new Vector(0,0,1);
34 VL.AddVector(temp);
35 Ref = VL;
36};
37
38
39void ActOnAllTest::tearDown()
40{
41 VL.EmptyList();
42};
43
44/** UnitTest for VectorList::ActOnAll() and Vector::AddVector(), Vector::SubtractVector(),
45 */
46void ActOnAllTest::AddSubtractTest()
47{
48 const Vector test(1.,0.,0.);
49
50 // adding, subtracting
51 VL.ActOnAll( &Vector::AddVector, &test );
52 CPPUNIT_ASSERT_EQUAL( VL == Ref , false );
53 VL.ActOnAll( &Vector::SubtractVector, &test );
54 CPPUNIT_ASSERT_EQUAL( VL == Ref , true );
55};
56
57/** UnitTest for VectorList::ActOnAll()
58 */
59void ActOnAllTest::ScaleTest()
60{
61 double factor=2.;
62 double inverse=1./2.;
63
64 // scaling by value
65 VL.ActOnAll( (void (Vector::*)(const double)) &Vector::Scale, 2. );
66 CPPUNIT_ASSERT_EQUAL( VL == Ref , false );
67
68 VL.ActOnAll( (void (Vector::*)(const double)) &Vector::Scale, 0.5 );
69 CPPUNIT_ASSERT_EQUAL( VL == Ref , true );
70
71 // scaling by ref
72 VL.ActOnAll( (void (Vector::*)(const double * const)) &Vector::Scale, (const double * const)&factor );
73 CPPUNIT_ASSERT_EQUAL( VL == Ref , false );
74
75 VL.ActOnAll( (void (Vector::*)(const double * const)) &Vector::Scale, (const double * const)&inverse );
76 CPPUNIT_ASSERT_EQUAL( VL == Ref , true );
77
78 // scaling by three values
79 double *factors = Malloc<double>(NDIM, "ActOnAllTest::ScaleTest - factors");
80 double *inverses = Malloc<double>(NDIM, "ActOnAllTest::ScaleTest - inverses");
81 for (int i=0;i<NDIM;++i) {
82 factors[i] = 2.;
83 inverses[i] = 1./factors[i];
84 }
85 VL.ActOnAll( (void (Vector::*)(const double ** const)) &Vector::Scale, (const double ** const)&factors );
86 CPPUNIT_ASSERT_EQUAL( VL == Ref , false );
87
88 VL.ActOnAll( (void (Vector::*)(const double ** const)) &Vector::Scale, (const double ** const)&inverses );
89 CPPUNIT_ASSERT_EQUAL( VL == Ref , true );
90};
91
92/** UnitTest for VectorList::ActOnAll() and Vector::MakeNormalVector()
93 */
94void ActOnAllTest::NormalizeTest()
95{
96 const Vector xaxis(1.,0.,0.);
97 const Vector yaxis(0.,1.,0.);
98
99 // normalize with respect to x and y axis
100 bool (Vector::*f)(const Vector *, const Vector *) = &Vector::MakeNormalVector;
101 VL.ActOnAll( f, &xaxis, &yaxis );
102 CPPUNIT_ASSERT_EQUAL( VL == Ref , false );
103
104 // check that x and y components are zero
105 for (ListOfVectors::iterator Runner = VL.Vectors.begin(); Runner != VL.Vectors.end(); Runner++) {
106 CPPUNIT_ASSERT_EQUAL( (*Runner)->x[0] , 0. );
107 CPPUNIT_ASSERT_EQUAL( (*Runner)->x[1] , 0. );
108 }
109};
110
111
112/********************************************** Main routine **************************************/
113
114int main(int argc, char **argv)
115{
116 // Get the top level suite from the registry
117 CppUnit::Test *suite = CppUnit::TestFactoryRegistry::getRegistry().makeTest();
118
119 // Adds the test to the list of test to run
120 CppUnit::TextUi::TestRunner runner;
121 runner.addTest( suite );
122
123 // Change the default outputter to a compiler error format outputter
124 runner.setOutputter( new CppUnit::CompilerOutputter( &runner.result(),
125 std::cerr ) );
126 // Run the tests.
127 bool wasSucessful = runner.run();
128
129 // Return error code 1 if the one of test failed.
130 return wasSucessful ? 0 : 1;
131};
Note: See TracBrowser for help on using the repository browser.