source: src/Analysis/unittests/AnalysisPairCorrelationUnitTest.hpp@ 2e7afe

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 Candidate_v1.7.0 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 v1.4.10
Last change on this file since 2e7afe was 9b5a2c, checked in by Frederik Heber <heber@…>, 14 years ago

Moved analysis modules into subfolder Analysis along with its unit tests.

  • new Makefiles are included in src/Makefile.am and src/unittests/Makefile.am.
  • Property mode set to 100644
File size: 1.2 KB
RevLine 
[c4d4df]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
[56f73b]11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16
[c4d4df]17#include <cppunit/extensions/HelperMacros.h>
18
19class element;
[a5551b]20class molecule;
21class MoleculeListClass;
[c4d4df]22class Vector;
23
24/********************************************** Test classes **************************************/
25
26class AnalysisPairCorrelationUnitTest : public CppUnit::TestFixture
27{
28 CPPUNIT_TEST_SUITE( AnalysisPairCorrelationUnitTest ) ;
29 CPPUNIT_TEST ( PairCorrelationTest );
30 CPPUNIT_TEST ( PairCorrelationBinNoRangeTest );
31 CPPUNIT_TEST ( PairCorrelationBinRangeTest );
32 CPPUNIT_TEST_SUITE_END();
33
34public:
35 void setUp();
36 void tearDown();
37 void PairCorrelationTest();
38 void PairCorrelationBinNoRangeTest();
39 void PairCorrelationBinRangeTest();
40
41private:
42
[e65de8]43 std::vector<molecule *> allMolecules;
[c4d4df]44 molecule *TestMolecule;
[e5c0a1]45 const element *hydrogen;
[c4d4df]46
47 PairCorrelationMap *correlationmap;
48 BinPairMap *binmap;
49};
50
51#endif /* ANALYSISPAIRCORRELATIONUNITTEST_HPP_ */
Note: See TracBrowser for help on using the repository browser.