source: src/unittests/AnalysisPairCorrelationUnitTest.hpp@ c6efc1

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 c6efc1 was a5551b, checked in by Frederik Heber <heber@…>, 15 years ago

Closed ticket #48 (AnalysisCorrelation...() take MoleculeListClass instead of molecule).
  • Property mode set to 100644
File size: 1.2 KB
Line 
1/*
2 * AnalysisPairCorrelationUnitTest.hpp
3 *
4 * Created on: Oct 13, 2009
5 * Author: heber
6 */
7
8#ifndef ANALYSISPAIRCORRELATIONUNITTEST_HPP_
9#define ANALYSISPAIRCORRELATIONUNITTEST_HPP_
10
11#include <cppunit/extensions/HelperMacros.h>
12
13class element;
14class LinkedCell;
15class molecule;
16class MoleculeListClass;
17class periodentafel;
18class Tesselation;
19class Vector;
20
21/********************************************** Test classes **************************************/
22
23class AnalysisPairCorrelationUnitTest : public CppUnit::TestFixture
24{
25 CPPUNIT_TEST_SUITE( AnalysisPairCorrelationUnitTest ) ;
26 CPPUNIT_TEST ( PairCorrelationTest );
27 CPPUNIT_TEST ( PairCorrelationBinNoRangeTest );
28 CPPUNIT_TEST ( PairCorrelationBinRangeTest );
29 CPPUNIT_TEST_SUITE_END();
30
31public:
32 void setUp();
33 void tearDown();
34 void PairCorrelationTest();
35 void PairCorrelationBinNoRangeTest();
36 void PairCorrelationBinRangeTest();
37
38private:
39
40 MoleculeListClass *TestList;
41 molecule *TestMolecule;
42 element *hydrogen;
43 periodentafel *tafel;
44
45 PairCorrelationMap *correlationmap;
46 BinPairMap *binmap;
47};
48
49#endif /* ANALYSISPAIRCORRELATIONUNITTEST_HPP_ */
Note: See TracBrowser for help on using the repository browser.