source: src/LinearAlgebra/Plane.cpp@ 882678

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 882678 was 783e88, checked in by Frederik Heber <heber@…>, 14 years ago

Removed LinearDependenceException, MultipleSolutionsException and MathException from Exceptions.

  • Property mode set to 100644
File size: 8.2 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * Plane.cpp
10 *
11 * Created on: Apr 7, 2010
12 * Author: crueger
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "CodePatterns/MemDebug.hpp"
21
22#include <cmath>
23#include <limits>
24
25#include "CodePatterns/Assert.hpp"
26#include "CodePatterns/Info.hpp"
27#include "CodePatterns/Log.hpp"
28#include "CodePatterns/Verbose.hpp"
29#include "LinearAlgebra/defs.hpp"
30#include "LinearAlgebra/Exceptions.hpp"
31#include "LinearAlgebra/fast_functions.hpp"
32#include "LinearAlgebra/Line.hpp"
33#include "LinearAlgebra/Plane.hpp"
34#include "LinearAlgebra/Vector.hpp"
35
36/**
37 * generates a plane from three given vectors defining three points in space
38 */
39Plane::Plane(const Vector &y1, const Vector &y2, const Vector &y3) throw(LinearDependenceException) :
40 normalVector(new Vector())
41{
42 Vector x1 = y1 - y2;
43 Vector x2 = y3 - y2;
44 if ((x1.Norm() <= LINALG_MYEPSILON())) {
45 throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&y1, &y2) );
46 }
47 if ((x2.Norm() <= LINALG_MYEPSILON())) {
48 throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&y2, &y3) );
49 }
50 if((fabs(x1.Angle(x2)) <= LINALG_MYEPSILON())) {
51 throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&x1, &x2) );
52 }
53// Log() << Verbose(4) << "relative, first plane coordinates:";
54// x1.Output((ofstream *)&cout);
55// Log() << Verbose(0) << endl;
56// Log() << Verbose(4) << "second plane coordinates:";
57// x2.Output((ofstream *)&cout);
58// Log() << Verbose(0) << endl;
59
60 normalVector->at(0) = (x1[1]*x2[2] - x1[2]*x2[1]);
61 normalVector->at(1) = (x1[2]*x2[0] - x1[0]*x2[2]);
62 normalVector->at(2) = (x1[0]*x2[1] - x1[1]*x2[0]);
63 normalVector->Normalize();
64
65 offset=normalVector->ScalarProduct(y1);
66}
67/**
68 * Constructs a plane from two direction vectors and a offset.
69 */
70Plane::Plane(const Vector &y1, const Vector &y2, double _offset) throw(ZeroVectorException,LinearDependenceException) :
71 normalVector(new Vector()),
72 offset(_offset)
73{
74 Vector x1 = y1;
75 Vector x2 = y2;
76 if ((x1.Norm() <= LINALG_MYEPSILON())) {
77 throw ZeroVectorException() << LinearAlgebraVector(&x1);
78 }
79 if ((x2.Norm() <= LINALG_MYEPSILON())) {
80 throw ZeroVectorException() << LinearAlgebraVector(&x2);
81 }
82 if((fabs(x1.Angle(x2)) <= LINALG_MYEPSILON())) {
83 throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&x1, &x2) );
84 }
85// Log() << Verbose(4) << "relative, first plane coordinates:";
86// x1.Output((ofstream *)&cout);
87// Log() << Verbose(0) << endl;
88// Log() << Verbose(4) << "second plane coordinates:";
89// x2.Output((ofstream *)&cout);
90// Log() << Verbose(0) << endl;
91
92 normalVector->at(0) = (x1[1]*x2[2] - x1[2]*x2[1]);
93 normalVector->at(1) = (x1[2]*x2[0] - x1[0]*x2[2]);
94 normalVector->at(2) = (x1[0]*x2[1] - x1[1]*x2[0]);
95 normalVector->Normalize();
96}
97
98Plane::Plane(const Vector &_normalVector, double _offset) throw(ZeroVectorException):
99 normalVector(new Vector(_normalVector)),
100 offset(_offset)
101{
102 if(normalVector->IsZero())
103 throw ZeroVectorException() << LinearAlgebraVector(&(*normalVector));
104 double factor = 1/normalVector->Norm();
105 // normalize the plane parameters
106 (*normalVector)*=factor;
107 offset*=factor;
108}
109
110Plane::Plane(const Vector &_normalVector, const Vector &_offsetVector) throw(ZeroVectorException):
111 normalVector(new Vector(_normalVector))
112{
113 if(normalVector->IsZero()){
114 throw ZeroVectorException() << LinearAlgebraVector(&(*normalVector));
115 }
116 normalVector->Normalize();
117 offset = normalVector->ScalarProduct(_offsetVector);
118}
119
120/**
121 * copy constructor
122 */
123Plane::Plane(const Plane& plane) :
124 normalVector(new Vector(*plane.normalVector)),
125 offset(plane.offset)
126{}
127
128
129Plane::~Plane()
130{}
131
132Plane &Plane::operator=(const Plane &rhs){
133 if(&rhs!=this){
134 normalVector.reset(new Vector(*rhs.normalVector));
135 offset = rhs.offset;
136 }
137 return *this;
138}
139
140
141Vector Plane::getNormal() const{
142 return *normalVector;
143}
144
145double Plane::getOffset() const{
146 return offset;
147}
148
149Vector Plane::getOffsetVector() const {
150 return getOffset()*getNormal();
151}
152
153vector<Vector> Plane::getPointsOnPlane() const{
154 std::vector<Vector> res;
155 res.reserve(3);
156 // first point on the plane
157 res.push_back(getOffsetVector());
158 // get a vector that has direction of plane
159 Vector direction;
160 direction.GetOneNormalVector(getNormal());
161 res.push_back(res[0]+direction);
162 // get an orthogonal vector to direction and normal (has direction of plane)
163 direction.VectorProduct(getNormal());
164 direction.Normalize();
165 res.push_back(res[0] +direction);
166 return res;
167}
168
169
170/** Calculates the intersection point between a line defined by \a *LineVector and \a *LineVector2 and a plane defined by \a *Normal and \a *PlaneOffset.
171 * According to [Bronstein] the vectorial plane equation is:
172 * -# \f$\stackrel{r}{\rightarrow} \cdot \stackrel{N}{\rightarrow} + D = 0\f$,
173 * where \f$\stackrel{r}{\rightarrow}\f$ is the vector to be testet, \f$\stackrel{N}{\rightarrow}\f$ is the plane's normal vector and
174 * \f$D = - \stackrel{a}{\rightarrow} \stackrel{N}{\rightarrow}\f$, the offset with respect to origin, if \f$\stackrel{a}{\rightarrow}\f$,
175 * is an offset vector onto the plane. The line is parametrized by \f$\stackrel{x}{\rightarrow} + k \stackrel{t}{\rightarrow}\f$, where
176 * \f$\stackrel{x}{\rightarrow}\f$ is the offset and \f$\stackrel{t}{\rightarrow}\f$ the directional vector (NOTE: No need to normalize
177 * the latter). Inserting the parametrized form into the plane equation and solving for \f$k\f$, which we insert then into the parametrization
178 * of the line yields the intersection point on the plane.
179 * \param *Origin first vector of line
180 * \param *LineVector second vector of line
181 * \return true - \a this contains intersection point on return, false - line is parallel to plane (even if in-plane)
182 */
183Vector Plane::GetIntersection(const Line& line) const
184{
185 Info FunctionInfo(__func__);
186 Vector res;
187
188 res = getNormal();
189 const Vector direction = line.getDirection();
190 double factor1 = res.ScalarProduct(direction);
191 if(fabs(factor1) <= LINALG_MYEPSILON()){
192 // the plane is parallel... under all circumstances this is bad luck
193 // we no have either no or infinite solutions
194 if(isContained(line.getOrigin())){
195 const Vector origin = line.getOrigin();
196 throw MultipleSolutionsException() << LinearAlgebraVector(&origin);
197 }
198 else{
199 throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&res, &direction) );
200 }
201 }
202
203 double factor2 = getNormal().ScalarProduct(line.getOrigin());
204 double scaleFactor = (offset-factor2)/factor1;
205
206 res = line.getOrigin() + scaleFactor * line.getDirection();
207
208 // tests to make sure the resulting vector really is on plane and line
209 ASSERT(isContained(res),"Calculated line-Plane intersection does not lie on plane.");
210 ASSERT(line.isContained(res),"Calculated line-Plane intersection does not lie on line.");
211 return res;
212};
213
214Vector Plane::mirrorVector(const Vector &rhs) const {
215 Vector helper = getVectorToPoint(rhs);
216 // substract twice the Vector to the plane
217 return rhs+2*helper;
218}
219
220Line Plane::getOrthogonalLine(const Vector &origin) const{
221 return Line(origin,getNormal());
222}
223
224bool Plane::onSameSide(const Vector &point1,const Vector &point2) const{
225 return sign(point1.ScalarProduct(*normalVector)-offset) ==
226 sign(point2.ScalarProduct(*normalVector)-offset);
227}
228
229/************ Methods inherited from Space ****************/
230
231double Plane::distance(const Vector &point) const{
232 double res = point.ScalarProduct(*normalVector)-offset;
233 return fabs(res);
234}
235
236Vector Plane::getClosestPoint(const Vector &point) const{
237 double factor = point.ScalarProduct(*normalVector)-offset;
238 if(fabs(factor) <= LINALG_MYEPSILON()){
239 // the point itself lies on the plane
240 return point;
241 }
242 Vector difference = factor * (*normalVector);
243 return (point - difference);
244}
245
246// Operators
247
248bool operator==(const Plane &x,const Plane &y){
249 return *x.normalVector == *y.normalVector && x.offset == y.offset;
250}
251
252ostream &operator << (ostream &ost,const Plane &p){
253 ost << "<" << p.getNormal() << ";x> - " << p.getOffset() << "=0";
254 return ost;
255}
Note: See TracBrowser for help on using the repository browser.