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
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 | |
|---|
| 1 | /*
|
|---|
| 2 | * CountBondsUnitTest.hpp
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: Mar 30, 2010
|
|---|
| 5 | * Author: heber
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 | #ifndef COUNTBONDSUNITTEST_HPP_
|
|---|
| 9 | #define COUNTBONDSUNITTEST_HPP_
|
|---|
| 10 |
|
|---|
| 11 | // include config.h
|
|---|
| 12 | #ifdef HAVE_CONFIG_H
|
|---|
| 13 | #include <config.h>
|
|---|
| 14 | #endif
|
|---|
| 15 |
|
|---|
| 16 |
|
|---|
| 17 | #include <cppunit/extensions/HelperMacros.h>
|
|---|
| 18 |
|
|---|
| 19 | #include <vector>
|
|---|
| 20 |
|
|---|
| 21 | class BondGraph;
|
|---|
| 22 | class element;
|
|---|
| 23 | class molecule;
|
|---|
| 24 | class periodentafel;
|
|---|
| 25 |
|
|---|
| 26 | /********************************************** Test classes **************************************/
|
|---|
| 27 |
|
|---|
| 28 | class CountBondsTest : public CppUnit::TestFixture
|
|---|
| 29 | {
|
|---|
| 30 | CPPUNIT_TEST_SUITE( CountBondsTest) ;
|
|---|
| 31 | CPPUNIT_TEST ( BondsOfTwoTest );
|
|---|
| 32 | CPPUNIT_TEST ( BondsOfThreeTest );
|
|---|
| 33 | CPPUNIT_TEST ( HydrogenBridgeBondsTest );
|
|---|
| 34 | CPPUNIT_TEST_SUITE_END();
|
|---|
| 35 |
|
|---|
| 36 | public:
|
|---|
| 37 | void setUp();
|
|---|
| 38 | void tearDown();
|
|---|
| 39 | void BondsOfTwoTest();
|
|---|
| 40 | void BondsOfThreeTest();
|
|---|
| 41 | void HydrogenBridgeBondsTest();
|
|---|
| 42 |
|
|---|
| 43 | private:
|
|---|
| 44 |
|
|---|
| 45 | std::vector<molecule *> molecules;
|
|---|
| 46 | molecule *TestMolecule1;
|
|---|
| 47 | molecule *TestMolecule2;
|
|---|
| 48 | const element *hydrogen;
|
|---|
| 49 | const element *oxygen;
|
|---|
| 50 |
|
|---|
| 51 | BondGraph *BG;
|
|---|
| 52 | string *filename;
|
|---|
| 53 | };
|
|---|
| 54 |
|
|---|
| 55 |
|
|---|
| 56 | #endif /* COUNTBONDSUNITTEST_HPP_ */
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
