source: src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.hpp@ c6ddcb

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 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_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions 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 IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation 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 TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Last change on this file since c6ddcb was c6ddcb, checked in by Frederik Heber <heber@…>, 9 years ago

Added getRoughBoundingBox to SaturatedFragment.

  • Property mode set to 100644
File size: 1.1 KB
Line 
1/*
2 * SaturatedFragmentUnitTest.hpp
3 *
4 * Created on: Aug 09, 2012
5 * Author: heber
6 */
7
8#ifndef SATURATEDFRAGMENTUNITTEST_HPP_
9#define SATURATEDFRAGMENTUNITTEST_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 "Fragmentation/Exporters/HydrogenPool.hpp"
20#include "Fragmentation/Exporters/SaturatedFragment.hpp"
21
22class element;
23class KeySet;
24class molecule;
25
26/********************************************** Test classes **************************************/
27
28class SaturatedFragmentTest : public CppUnit::TestFixture
29{
30 CPPUNIT_TEST_SUITE( SaturatedFragmentTest) ;
31 CPPUNIT_TEST ( getKeySet_Test );
32 CPPUNIT_TEST ( getRoughBoundingBox );
33 CPPUNIT_TEST_SUITE_END();
34
35public:
36 void setUp();
37 void tearDown();
38 void getKeySet_Test();
39 void getRoughBoundingBox();
40
41private:
42 HydrogenPool hydrogens;
43 SaturatedFragment::KeySetsInUse_t KeySetsInUse;
44 KeySet *set;
45 SaturatedFragment *fragment;
46
47 molecule *TestMolecule;
48 const element *hydrogen;
49 const element *oxygen;
50};
51
52#endif /* SATURATEDFRAGMENTUNITTEST_HPP_ */
Note: See TracBrowser for help on using the repository browser.