source: src/Analysis/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp@ f45a91

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
Last change on this file since f45a91 was 2affd1, checked in by Frederik Heber <heber@…>, 9 years ago

Removed molecules_deprecated from World and unnecessary includes of MoleculeListClass and all insert/erase.

  • this goes along the lines of removing "remove me when we don't need MoleculeCistClass anymore".
  • Property mode set to 100644
File size: 1.7 KB
Line 
1/*
2 * AnalysisCorrelationToSurfaceUnitTest.hpp
3 *
4 * Created on: Oct 13, 2009
5 * Author: heber
6 */
7
8#ifndef ANALYSISCORRELATIONTOSURFACEUNITTEST_HPP_
9#define ANALYSISCORRELATIONTOSURFACEUNITTEST_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
19class element;
20class LinkedCell_deprecated;
21class molecule;
22class periodentafel;
23class Tesselation;
24
25/********************************************** Test classes **************************************/
26
27class AnalysisCorrelationToSurfaceUnitTest : public CppUnit::TestFixture
28{
29 CPPUNIT_TEST_SUITE( AnalysisCorrelationToSurfaceUnitTest ) ;
30 CPPUNIT_TEST ( SurfaceTest );
31 CPPUNIT_TEST ( CorrelationToSurfaceTest );
32 CPPUNIT_TEST ( CorrelationToSurfaceHydrogenBinNoRangeTest );
33 CPPUNIT_TEST ( CorrelationToSurfaceHydrogenBinRangeTest );
34 CPPUNIT_TEST ( CorrelationToSurfaceCarbonBinNoRangeTest );
35 CPPUNIT_TEST ( CorrelationToSurfaceCarbonBinRangeTest );
36 CPPUNIT_TEST_SUITE_END();
37
38public:
39 void setUp();
40 void tearDown();
41 void SurfaceTest();
42 void CorrelationToSurfaceTest();
43 void CorrelationToSurfaceHydrogenBinNoRangeTest();
44 void CorrelationToSurfaceHydrogenBinRangeTest();
45 void CorrelationToSurfaceCarbonBinNoRangeTest();
46 void CorrelationToSurfaceCarbonBinRangeTest();
47
48private:
49
50 std::vector<const molecule *> allMolecules;
51 molecule *TestSurfaceMolecule;
52 const element *hydrogen;
53 const element *carbon;
54 std::vector<const element *> elements;
55
56 CorrelationToSurfaceMap *surfacemap;
57 BinPairMap *binmap;
58 Tesselation *Surface;
59 LinkedCell_deprecated *LC;
60};
61
62#endif /* ANALYSISCORRELATIONTOSURFACEUNITTEST_HPP_ */
Note: See TracBrowser for help on using the repository browser.