source: src/Fragmentation/Summation/SetValues/unittests/SamplingGridPropertiesUnitTest.cpp@ 5aaa43

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 5aaa43 was 5aaa43, checked in by Frederik Heber <heber@…>, 12 years ago

FIX: Fixed new copyright line since start of 2013 in CodeChecks test.

  • we must look for either Uni Bonn or myself.
  • added second copyright line since from 1st of Jan 2013 I am not employed by University of Bonn anymore, hence changes to the code are my own copyright.
  • Property mode set to 100644
File size: 3.8 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2012 University of Bonn. All rights reserved.
5 * Copyright (C) 2013 Frederik Heber. All rights reserved.
6 *
7 *
8 * This file is part of MoleCuilder.
9 *
10 * MoleCuilder is free software: you can redistribute it and/or modify
11 * it under the terms of the GNU General Public License as published by
12 * the Free Software Foundation, either version 2 of the License, or
13 * (at your option) any later version.
14 *
15 * MoleCuilder is distributed in the hope that it will be useful,
16 * but WITHOUT ANY WARRANTY; without even the implied warranty of
17 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18 * GNU General Public License for more details.
19 *
20 * You should have received a copy of the GNU General Public License
21 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
22 */
23
24/*
25 * SamplingGridPropertiesUnitTest.cpp
26 *
27 * Created on: Jul 29, 2012
28 * Author: heber
29 */
30
31// include config.h
32#ifdef HAVE_CONFIG_H
33#include <config.h>
34#endif
35
36using namespace std;
37
38#include <cppunit/CompilerOutputter.h>
39#include <cppunit/extensions/TestFactoryRegistry.h>
40#include <cppunit/ui/text/TestRunner.h>
41
42#include "SamplingGridPropertiesUnitTest.hpp"
43
44#include "CodePatterns/Assert.hpp"
45
46#ifdef HAVE_TESTRUNNER
47#include "UnitTestMain.hpp"
48#endif /*HAVE_TESTRUNNER*/
49
50/********************************************** Test classes **************************************/
51
52// Registers the fixture into the 'registry'
53CPPUNIT_TEST_SUITE_REGISTRATION( SamplingGridPropertiesTest );
54
55
56void SamplingGridPropertiesTest::setUp()
57{
58 // failing asserts should be thrown
59 ASSERT_DO(Assert::Throw);
60
61 // create the grid
62 const double begin[3] = { 0., 0., 0. };
63 const double end[3] = { 1., 1., 1. };
64 props = new SamplingGridProperties(begin, end, 2);
65}
66
67
68void SamplingGridPropertiesTest::tearDown()
69{
70 delete props;
71}
72
73/** UnitTest for isCompatible()
74 */
75void SamplingGridPropertiesTest::isCompatible_Test()
76{
77 const double begin[3] = { 0., 0., 0. };
78 const double otherbegin[3] = { 1., 0.1, -0.5 };
79 const double end[3] = { 1., 1., 1. };
80 const double otherend[3] = { 2., 2., 2. };
81
82 // create other props
83 SamplingGridProperties sameprops(begin, end, 2);
84 SamplingGridProperties otherprops(otherbegin, end, 2);
85 SamplingGridProperties anotherprops(begin, otherend, 2);
86 SamplingGridProperties moreotherprops(begin, end, 4);
87
88 // only checks for same level
89 CPPUNIT_ASSERT( props->isCompatible(*props) );
90 CPPUNIT_ASSERT( props->isCompatible(sameprops) );
91 CPPUNIT_ASSERT( sameprops.isCompatible(*props) );
92 CPPUNIT_ASSERT( props->isCompatible(otherprops) );
93 CPPUNIT_ASSERT( otherprops.isCompatible(*props) );
94 CPPUNIT_ASSERT( props->isCompatible(anotherprops) );
95 CPPUNIT_ASSERT( anotherprops.isCompatible(*props) );
96 CPPUNIT_ASSERT( !props->isCompatible(moreotherprops) );
97 CPPUNIT_ASSERT( !moreotherprops.isCompatible(*props) );
98}
99
100/** UnitTest for operator==()
101 */
102void SamplingGridPropertiesTest::equality_Test()
103{
104 const double begin[3] = { 0., 0., 0. };
105 const double otherbegin[3] = { 1., 0.1, -0.5 };
106 const double end[3] = { 1., 1., 1. };
107 const double otherend[3] = { 2., 2., 2. };
108
109 // create other props
110 SamplingGridProperties sameprops(begin, end, 2);
111 SamplingGridProperties otherprops(otherbegin, end, 2);
112 SamplingGridProperties anotherprops(begin, otherend, 2);
113 SamplingGridProperties moreotherprops(begin, end, 4);
114
115 // check for same level, begin, and end
116 CPPUNIT_ASSERT( *props == *props );
117 CPPUNIT_ASSERT( *props == sameprops );
118 CPPUNIT_ASSERT( sameprops == *props);
119 CPPUNIT_ASSERT( *props != otherprops);
120 CPPUNIT_ASSERT( otherprops != *props);
121 CPPUNIT_ASSERT( *props != anotherprops );
122 CPPUNIT_ASSERT( anotherprops != *props );
123 CPPUNIT_ASSERT( *props != moreotherprops );
124 CPPUNIT_ASSERT( moreotherprops != *props );
125}
126
Note: See TracBrowser for help on using the repository browser.