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
Rev | Line | |
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[b70721] | 1 | /*
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[f844ef] | 2 | * BondGraphUnitTest.hpp
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[b70721] | 3 | *
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| 4 | * Created on: Oct 29, 2009
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef BONDGRAPHUNITTEST_HPP_
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| 9 | #define BONDGRAPHUNITTEST_HPP_
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| 10 |
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[56f73b] | 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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[b70721] | 17 | #include <cppunit/extensions/HelperMacros.h>
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| 18 |
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| 19 |
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[9a7186] | 20 | class BondGraph;
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[b70721] | 21 | class element;
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| 22 | class molecule;
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| 23 | class periodentafel;
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| 24 |
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| 25 | /********************************************** Test classes **************************************/
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| 26 |
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| 27 | class BondGraphTest : public CppUnit::TestFixture
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| 28 | {
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| 29 | CPPUNIT_TEST_SUITE( BondGraphTest) ;
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[9879f6] | 30 | CPPUNIT_TEST ( SetupTest );
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[b70721] | 31 | CPPUNIT_TEST ( LoadTableTest );
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[e5ad5c] | 32 | CPPUNIT_TEST ( ConstructGraphFromTableTest );
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| 33 | CPPUNIT_TEST ( ConstructGraphFromCovalentRadiiTest );
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[9b6663] | 34 | CPPUNIT_TEST ( EqualityTest );
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[b70721] | 35 | CPPUNIT_TEST_SUITE_END();
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| 36 |
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| 37 | public:
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| 38 | void setUp();
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| 39 | void tearDown();
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[9879f6] | 40 | void SetupTest();
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[b70721] | 41 | void LoadTableTest();
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[e5ad5c] | 42 | void ConstructGraphFromTableTest();
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| 43 | void ConstructGraphFromCovalentRadiiTest();
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[9b6663] | 44 | void EqualityTest();
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[b70721] | 45 |
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| 46 | private:
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| 47 |
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| 48 | molecule *TestMolecule;
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[4eb4fe] | 49 | const element *hydrogen;
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| 50 | const element *carbon;
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[b70721] | 51 |
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| 52 | BondGraph *BG;
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[4e855e] | 53 | std::stringstream dummy;
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| 54 | std::stringstream test;
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[b70721] | 55 | };
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| 56 |
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| 57 | #endif /* BONDGRAPHUNITTEST_HPP_ */
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