source: src/Tesselation/unittests/TesselationUnitTest.cpp@ 2a0271

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 2a0271 was 0aa122, checked in by Frederik Heber <heber@…>, 13 years ago

Updated all source files's copyright note to current year 2012.

  • Property mode set to 100644
File size: 7.0 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * TesselationUnitTest.cpp
10 *
11 * Created on: Aug 26, 2009
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20using namespace std;
21
22#include <cppunit/CompilerOutputter.h>
23#include <cppunit/extensions/TestFactoryRegistry.h>
24#include <cppunit/ui/text/TestRunner.h>
25
26#include <cstring>
27
28#include "CodePatterns/Log.hpp"
29#include "Helpers/defs.hpp"
30#include "LinkedCell/PointCloudAdaptor.hpp"
31#include "Tesselation/BoundaryLineSet.hpp"
32#include "Tesselation/BoundaryTriangleSet.hpp"
33#include "Tesselation/CandidateForTesselation.hpp"
34#include "Atom/TesselPoint.hpp"
35
36#include "TesselationUnitTest.hpp"
37
38#ifdef HAVE_TESTRUNNER
39#include "UnitTestMain.hpp"
40#endif /*HAVE_TESTRUNNER*/
41
42const double TesselationTest::SPHERERADIUS=2.;
43
44/********************************************** Test classes **************************************/
45
46// Registers the fixture into the 'registry'
47CPPUNIT_TEST_SUITE_REGISTRATION( TesselationTest );
48
49
50void TesselationTest::setUp()
51{
52 // create corners
53 class TesselPoint *Walker;
54 Walker = new TesselPoint;
55 Walker->setPosition(Vector(1., 0., -1.));
56 Walker->setName("1");
57 Walker->setNr(1);
58 Corners.push_back(Walker);
59 Walker = new TesselPoint;
60 Walker->setPosition(Vector(-1., 1., -1.));
61 Walker->setName("2");
62 Walker->setNr(2);
63 Corners.push_back(Walker);
64 Walker = new TesselPoint;
65 Walker->setPosition(Vector(-1., -1., -1.));
66 Walker->setName("3");
67 Walker->setNr(3);
68 Corners.push_back(Walker);
69 Walker = new TesselPoint;
70 Walker->setPosition(Vector(-1., 0., 1.));
71 Walker->setName("4");
72 Walker->setNr(4);
73 Corners.push_back(Walker);
74
75 // create linkedcell
76 PointCloudAdaptor<TesselPointSTLList> cloud(&Corners, "TesselPointSTLList");
77 LinkedList = new LinkedCell_deprecated(cloud, 2.*SPHERERADIUS);
78
79 // create tesselation
80 TesselStruct = new Tesselation;
81 CPPUNIT_ASSERT_EQUAL( true, TesselStruct->PointsOnBoundary.empty() );
82 CPPUNIT_ASSERT_EQUAL( true, TesselStruct->LinesOnBoundary.empty() );
83 CPPUNIT_ASSERT_EQUAL( true, TesselStruct->TrianglesOnBoundary.empty() );
84 TesselStruct->FindStartingTriangle(SPHERERADIUS, LinkedList);
85
86 CandidateForTesselation *baseline = NULL;
87 BoundaryTriangleSet *T = NULL;
88 bool OneLoopWithoutSuccessFlag = true;
89 bool TesselationFailFlag = false;
90 while ((!TesselStruct->OpenLines.empty()) && (OneLoopWithoutSuccessFlag)) {
91 // 2a. fill all new OpenLines
92 for (CandidateMap::iterator Runner = TesselStruct->OpenLines.begin(); Runner != TesselStruct->OpenLines.end(); Runner++) {
93 baseline = Runner->second;
94 if (baseline->pointlist.empty()) {
95 T = (((baseline->BaseLine->triangles.begin()))->second);
96 TesselationFailFlag = TesselStruct->FindNextSuitableTriangle(*baseline, *T, SPHERERADIUS, LinkedList); //the line is there, so there is a triangle, but only one.
97 }
98 }
99
100 // 2b. search for smallest ShortestAngle among all candidates
101 double ShortestAngle = 4.*M_PI;
102 for (CandidateMap::iterator Runner = TesselStruct->OpenLines.begin(); Runner != TesselStruct->OpenLines.end(); Runner++) {
103 if (Runner->second->ShortestAngle < ShortestAngle) {
104 baseline = Runner->second;
105 ShortestAngle = baseline->ShortestAngle;
106 }
107 }
108 if ((ShortestAngle == 4.*M_PI) || (baseline->pointlist.empty()))
109 OneLoopWithoutSuccessFlag = false;
110 else {
111 TesselStruct->AddCandidatePolygon(*baseline, SPHERERADIUS, LinkedList);
112 }
113 }
114};
115
116
117void TesselationTest::tearDown()
118{
119 delete(LinkedList);
120 delete(TesselStruct);
121 for (TesselPointSTLList::iterator Runner = Corners.begin(); Runner != Corners.end(); Runner++)
122 delete(*Runner);
123 Corners.clear();
124 logger::purgeInstance();
125 errorLogger::purgeInstance();
126};
127
128/** UnitTest for Contains...()
129 *
130 */
131void TesselationTest::ContainmentTest()
132{
133 class BoundaryPointSet *point = NULL;
134 class BoundaryLineSet *line = NULL;
135
136 // check ContainsBoundaryPoint
137 for(LineMap::iterator Runner = TesselStruct->LinesOnBoundary.begin(); Runner != TesselStruct->LinesOnBoundary.end(); Runner++) {
138 CPPUNIT_ASSERT_EQUAL( true, (Runner->second)->ContainsBoundaryPoint((Runner->second)->endpoints[0]));
139 CPPUNIT_ASSERT_EQUAL( true, (Runner->second)->ContainsBoundaryPoint((Runner->second)->endpoints[1]));
140 }
141 for(TriangleMap::iterator Runner = TesselStruct->TrianglesOnBoundary.begin(); Runner != TesselStruct->TrianglesOnBoundary.end(); Runner++) {
142 for(PointMap::iterator PointRunner = TesselStruct->PointsOnBoundary.begin(); PointRunner != TesselStruct->PointsOnBoundary.end(); PointRunner++) {
143 point = PointRunner->second;
144 for (int i=0;i<3;i++)
145 if (point == (Runner->second)->endpoints[i])
146 point = NULL;
147 if (point != NULL)
148 break;
149 }
150 CPPUNIT_ASSERT_EQUAL( true, (Runner->second)->ContainsBoundaryPoint((Runner->second)->endpoints[0]));
151 CPPUNIT_ASSERT_EQUAL( true, (Runner->second)->ContainsBoundaryPoint((Runner->second)->endpoints[1]));
152 CPPUNIT_ASSERT_EQUAL( true, (Runner->second)->ContainsBoundaryPoint((Runner->second)->endpoints[2]));
153 CPPUNIT_ASSERT_EQUAL( false, (Runner->second)->ContainsBoundaryPoint(point));
154 }
155
156 // check ContainsBoundaryLine
157 for(TriangleMap::iterator Runner = TesselStruct->TrianglesOnBoundary.begin(); Runner != TesselStruct->TrianglesOnBoundary.end(); Runner++) {
158 for(LineMap::iterator LineRunner = TesselStruct->LinesOnBoundary.begin(); LineRunner != TesselStruct->LinesOnBoundary.end(); LineRunner++) {
159 line = LineRunner->second;
160 for (int i=0;i<3;i++)
161 if (line == (Runner->second)->lines[i])
162 line = NULL;
163 if (line != NULL)
164 break;
165 }
166 CPPUNIT_ASSERT_EQUAL( true, (Runner->second)->ContainsBoundaryLine((Runner->second)->lines[0]));
167 CPPUNIT_ASSERT_EQUAL( true, (Runner->second)->ContainsBoundaryLine((Runner->second)->lines[1]));
168 CPPUNIT_ASSERT_EQUAL( true, (Runner->second)->ContainsBoundaryLine((Runner->second)->lines[2]));
169 CPPUNIT_ASSERT_EQUAL( false, (Runner->second)->ContainsBoundaryLine(line));
170 }
171
172 // check IsPresentTupel
173 CPPUNIT_ASSERT_EQUAL( true, true );
174}
175
176/** UnitTest for Tesselation::GetAllTriangles()
177 *
178 */
179void TesselationTest::GetAllTrianglesTest()
180{
181 class BoundaryPointSet *Walker = NULL;
182
183 // check that there are three adjacent triangles for every boundary point
184 for (PointMap::iterator Runner = TesselStruct->PointsOnBoundary.begin(); Runner != TesselStruct->PointsOnBoundary.end(); Runner++) {
185 Walker = Runner->second;
186 set<BoundaryTriangleSet*> *triangles = TesselStruct->GetAllTriangles(Walker);
187 CPPUNIT_ASSERT_EQUAL( (size_t)3, triangles->size() );
188 // check that the returned triangle all contain the Walker
189 for (set<BoundaryTriangleSet*>::iterator TriangleRunner = triangles->begin(); TriangleRunner != triangles->end(); TriangleRunner++)
190 CPPUNIT_ASSERT_EQUAL( true, (*TriangleRunner)->ContainsBoundaryPoint(Walker) );
191 delete(triangles);
192 }
193}
Note: See TracBrowser for help on using the repository browser.