Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
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_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_CodePatterns
Subpackage_JobMarket
Subpackage_LinearAlgebra
Subpackage_levmar
Subpackage_mpqc_open
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
Last change
on this file since 2ae400 was 34af97, checked in by Frederik Heber <heber@…>, 9 years ago |
FIX: KeySetsContainer::insert(KeySetsContainer&) was not fully working.
- sets were simply appended and according to their index sets.
- this works for normal index sets but not for forceindexsets, which have the
additional (excluded) hydrogens that take not part when counting the bond
order.
- As FragmentationResultsContainer relied on index and forceindex to have the
same fragment order, this was no longer true.
- Added extensive unit test on KeySetsContainer::insert().
|
-
Property mode
set to
100644
|
File size:
1.1 KB
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Line | |
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1 | /*
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2 | * KeySetsContainerUnitTest.hpp
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3 | *
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4 | * Created on: Sep 16, 2011
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5 | * Author: heber
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6 | */
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7 |
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8 | #ifndef KEYSETSCONTAINERUNITTEST_HPP_
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9 | #define KEYSETSCONTAINERUNITTEST_HPP_
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10 |
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11 | // include config.h
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12 | #ifdef HAVE_CONFIG_H
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13 | #include <config.h>
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14 | #endif
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15 |
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16 |
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17 | #include <cppunit/extensions/HelperMacros.h>
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18 |
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19 | class KeySetsContainer;
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20 |
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21 | /********************************************** Test classes **************************************/
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22 |
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23 | class KeySetsContainerTest : public CppUnit::TestFixture
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24 | {
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25 | CPPUNIT_TEST_SUITE( KeySetsContainerTest) ;
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26 | CPPUNIT_TEST ( EqualityTest );
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27 | CPPUNIT_TEST ( SerializationTest );
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28 | CPPUNIT_TEST ( insertIntoEmptyTest );
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29 | CPPUNIT_TEST ( insertEmptyIntoTest );
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30 | CPPUNIT_TEST ( insertSmallerIntoTest );
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31 | CPPUNIT_TEST ( insertLargerIntoTest );
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32 | CPPUNIT_TEST_SUITE_END();
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33 |
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34 | public:
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35 | void setUp();
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36 | void tearDown();
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37 | void EqualityTest();
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38 | void SerializationTest();
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39 | void insertIntoEmptyTest();
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40 | void insertEmptyIntoTest();
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41 | void insertSmallerIntoTest();
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42 | void insertLargerIntoTest();
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43 |
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44 | private:
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45 | KeySetsContainer *Keys;
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46 |
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47 | };
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48 |
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49 | #endif /* KEYSETSCONTAINERUNITTEST_HPP_ */
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