Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
Candidate_v1.7.0
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
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
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
|
Last change
on this file since 0b738b was 2affd1, checked in by Frederik Heber <heber@…>, 10 years ago |
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Removed molecules_deprecated from World and unnecessary includes of MoleculeListClass and all insert/erase.
- this goes along the lines of removing "remove me when we don't need
MoleculeCistClass anymore".
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-
Property mode
set to
100644
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File size:
1.1 KB
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| 1 | /*
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| 2 | * AnalysisPairCorrelationUnitTest.hpp
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| 3 | *
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| 4 | * Created on: Oct 13, 2009
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef ANALYSISPAIRCORRELATIONUNITTEST_HPP_
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| 9 | #define ANALYSISPAIRCORRELATIONUNITTEST_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 element;
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| 20 | class molecule;
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| 21 | class Vector;
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| 22 |
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| 23 | /********************************************** Test classes **************************************/
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| 24 |
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| 25 | class AnalysisPairCorrelationUnitTest : public CppUnit::TestFixture
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| 26 | {
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| 27 | CPPUNIT_TEST_SUITE( AnalysisPairCorrelationUnitTest ) ;
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| 28 | CPPUNIT_TEST ( PairCorrelationTest );
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| 29 | CPPUNIT_TEST ( PairCorrelationBinNoRangeTest );
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| 30 | CPPUNIT_TEST ( PairCorrelationBinRangeTest );
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| 31 | CPPUNIT_TEST_SUITE_END();
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| 32 |
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| 33 | public:
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| 34 | void setUp();
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| 35 | void tearDown();
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| 36 | void PairCorrelationTest();
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| 37 | void PairCorrelationBinNoRangeTest();
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| 38 | void PairCorrelationBinRangeTest();
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| 39 |
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| 40 | private:
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| 41 |
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| 42 | std::vector<molecule *> allMolecules;
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| 43 | molecule *TestMolecule;
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| 44 | const element *hydrogen;
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| 45 |
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| 46 | PairCorrelationMap *correlationmap;
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| 47 | BinPairMap *binmap;
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| 48 | };
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| 49 |
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| 50 | #endif /* ANALYSISPAIRCORRELATIONUNITTEST_HPP_ */
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