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
Candidate_v1.7.0
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
| Line | |
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| 1 | /*
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| 2 | * AtomDescriptorUnitTest.hpp
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| 3 | *
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| 4 | * Created on: Feb 9, 2010
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| 5 | * Author: crueger
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| 6 | */
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| 7 |
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| 8 | #ifndef ATOMDESCRIPTORUNITTEST_HPP_
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| 9 | #define ATOMDESCRIPTORUNITTEST_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 | #include "types.hpp"
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| 20 |
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| 21 | // we prefer enum over define
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| 22 | enum { ATOM_COUNT = 10 };
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| 23 |
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| 24 | class atom;
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| 25 |
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| 26 | class AtomDescriptorTest : public CppUnit::TestFixture
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| 27 | {
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| 28 | CPPUNIT_TEST_SUITE( AtomDescriptorTest );
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| 29 | CPPUNIT_TEST ( AtomBaseSetsTest );
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| 30 | CPPUNIT_TEST ( AtomIdTest );
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| 31 | CPPUNIT_TEST ( AtomOfMoleculeTest );
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| 32 | CPPUNIT_TEST ( AtomOrderTest );
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| 33 | CPPUNIT_TEST ( AtomsWithinDistanceOfTest );
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| 34 | // CPPUNIT_TEST ( AtomsShapeTest );
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| 35 | CPPUNIT_TEST ( AtomCalcTest );
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| 36 | CPPUNIT_TEST_SUITE_END();
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| 37 |
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| 38 | public:
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| 39 | void setUp();
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| 40 | void tearDown();
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| 41 |
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| 42 | void AtomBaseSetsTest();
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| 43 | void AtomIdTest();
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| 44 | void AtomOfMoleculeTest();
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| 45 | void AtomOrderTest();
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| 46 | void AtomsWithinDistanceOfTest();
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| 47 | // void AtomsShapeTest();
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| 48 | void AtomCalcTest();
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| 49 |
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| 50 | private:
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| 51 | atom *atoms [ATOM_COUNT];
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| 52 | atomId_t atomIds [ATOM_COUNT];
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| 53 | };
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| 54 |
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| 55 | #endif /* ATOMDESCRIPTORUNITTEST_HPP_ */
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