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 c80643 was 6bd7e0, checked in by Frederik Heber <heber@…>, 13 years ago |
Renamed old LinkedCell class to LinkedCell_deprecated.
- this is preparatory for a smooth transition to the new implementation.
- note that class LinkedCell and namespace LinkedCell bite each other so far.
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-
Property mode
set to
100644
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File size:
1.4 KB
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1 | /*
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2 | * LinkedCellUnitTest.hpp
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3 | *
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4 | * Created on: Apr 9, 2010
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5 | * Author: heber
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6 | */
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7 |
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8 | #ifndef LINKEDCELLUNITTEST_HPP_
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9 | #define LINKEDCELLUNITTEST_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 |
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20 | class element;
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21 | class LinkedCell_deprecated;
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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 linkedcelltest : public CppUnit::TestFixture
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28 | {
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29 | CPPUNIT_TEST_SUITE( linkedcelltest) ;
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30 | CPPUNIT_TEST ( CheckBoundsTest );
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31 | CPPUNIT_TEST ( GetCurrentCellTest );
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32 | CPPUNIT_TEST ( GetRelativeToCurrentCellTest );
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33 | CPPUNIT_TEST ( SetIndexToNodeTest );
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34 | CPPUNIT_TEST ( SetIndexToVectorTest );
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35 | CPPUNIT_TEST ( GetNeighbourBoundsTest );
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36 | CPPUNIT_TEST ( GetallNeighboursTest );
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37 | CPPUNIT_TEST ( GetPointsInsideSphereTest );
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38 | CPPUNIT_TEST_SUITE_END();
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39 |
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40 | public:
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41 | void setUp();
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42 | void tearDown();
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43 |
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44 | void GetCurrentCellTest();
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45 | void GetRelativeToCurrentCellTest();
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46 | void SetIndexToNodeTest();
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47 | void SetIndexToVectorTest();
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48 | void CheckBoundsTest();
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49 | void GetNeighbourBoundsTest();
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50 | void GetallNeighboursTest();
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51 | void GetPointsInsideSphereTest();
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52 |
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53 | private:
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54 |
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55 | molecule *TestMolecule;
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56 | const element *hydrogen;
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57 | LinkedCell_deprecated *LC;
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58 | };
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59 |
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60 |
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61 | #endif /* LINKEDCELLUNITTEST_HPP_ */
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