source: src/unittests/LinkedCellUnitTest.hpp@ 986ed3

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 986ed3 was 4eb4fe, checked in by Frederik Heber <heber@…>, 15 years ago

"-e <db path>" not necessary anymore.

Removed necessity of specifying path to databases (this was one check of molecuilder/test/testsuite.at which cannot be fulfilled anymore with boost::program_options)
For this to work a great number of small changes have been necessary:

class periodentafel:

  • all .db files merged into const char * arrays in elements_db.cpp
  • periodentafel rewritten:
  • FindElement(), AskElement() and EnterElement return element * const instead of const element * (i.e. the contents of the pointer is const (the element) not the pointer itself which is very vexatious (i.e. FindElement() yields const element * which can subsequently not be used for RemoveElement(), ...)
  • parsedElems is not needed anymore. Instead we operate on map elements directly
  • new unittest periodentafelTest which is made friend of periodentafel to be able to access private loading functions directly

A number of unit tests had to be changed (all that create elements during setUp() which is now unnecessary)

Some of the analysis_bonds function's signatures were changed in the process:

Finally, the respective tests are removed from molecuilder/tests/testsuite.at.
  • Property mode set to 100644
File size: 1.3 KB
Line 
1/*
2 * LinkedCellUnitTest.hpp
3 *
4 * Created on: Apr 9, 2010
5 * Author: heber
6 */
7
8#ifndef LINKEDCELLUNITTEST_HPP_
9#define LINKEDCELLUNITTEST_HPP_
10
11#include <cppunit/extensions/HelperMacros.h>
12
13
14class element;
15class LinkedCell;
16class molecule;
17class periodentafel;
18
19/********************************************** Test classes **************************************/
20
21class LinkedCellTest : public CppUnit::TestFixture
22{
23 CPPUNIT_TEST_SUITE( LinkedCellTest) ;
24 CPPUNIT_TEST ( CheckBoundsTest );
25 CPPUNIT_TEST ( GetCurrentCellTest );
26 CPPUNIT_TEST ( GetRelativeToCurrentCellTest );
27 CPPUNIT_TEST ( SetIndexToNodeTest );
28 CPPUNIT_TEST ( SetIndexToVectorTest );
29 CPPUNIT_TEST ( GetNeighbourBoundsTest );
30 CPPUNIT_TEST ( GetallNeighboursTest );
31 CPPUNIT_TEST ( GetPointsInsideSphereTest );
32 CPPUNIT_TEST_SUITE_END();
33
34public:
35 void setUp();
36 void tearDown();
37
38 void GetCurrentCellTest();
39 void GetRelativeToCurrentCellTest();
40 void SetIndexToNodeTest();
41 void SetIndexToVectorTest();
42 void CheckBoundsTest();
43 void GetNeighbourBoundsTest();
44 void GetallNeighboursTest();
45 void GetPointsInsideSphereTest();
46
47private:
48
49 molecule *TestMolecule;
50 const element *hydrogen;
51 LinkedCell *LC;
52};
53
54
55#endif /* LINKEDCELLUNITTEST_HPP_ */
Note: See TracBrowser for help on using the repository browser.