source: src/unittests/analysisbondsunittest.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 220cf37, checked in by Frederik Heber <heber@…>, 15 years ago

Two new bond analysis functions.
  • Property mode set to 100644
File size: 979 bytes
Line 
1/*
2 * analysisbondsunittest.hpp
3 *
4 * Created on: Nov 7, 2009
5 * Author: heber
6 */
7
8#ifndef ANALYSISBONDSUNITTEST_HPP_
9#define ANALYSISBONDSUNITTEST_HPP_
10
11#include <cppunit/extensions/HelperMacros.h>
12
13class BondGraph;
14class element;
15class molecule;
16class periodentafel;
17
18/********************************************** Test classes **************************************/
19
20class AnalysisBondsTest : public CppUnit::TestFixture
21{
22 CPPUNIT_TEST_SUITE( AnalysisBondsTest) ;
23 CPPUNIT_TEST ( GetMaxMinMeanBondCountTest );
24 CPPUNIT_TEST ( MinMeanMaxBondDistanceBetweenElementsTest );
25 CPPUNIT_TEST_SUITE_END();
26
27public:
28 void setUp();
29 void tearDown();
30 void GetMaxMinMeanBondCountTest();
31 void MinMeanMaxBondDistanceBetweenElementsTest();
32
33private:
34
35 molecule *TestMolecule;
36 element *hydrogen;
37 element *carbon;
38 periodentafel *tafel;
39
40 BondGraph *BG;
41 string *filename;
42};
43
44#endif /* ANALYSISBONDSUNITTEST_HPP_ */
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