[bcf653] | 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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[0aa122] | 4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
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[bcf653] | 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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| 6 | */
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| 7 |
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[d74077] | 8 | /*
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| 9 | * BoundaryTriangleSet.cpp
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| 10 | *
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| 11 | * Created on: Jul 29, 2010
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| 12 | * Author: heber
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| 13 | */
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| 14 |
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[bf3817] | 15 | // include config.h
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| 16 | #ifdef HAVE_CONFIG_H
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| 17 | #include <config.h>
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| 18 | #endif
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| 19 |
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[ad011c] | 20 | #include "CodePatterns/MemDebug.hpp"
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[bbbad5] | 21 |
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[d74077] | 22 | #include "BoundaryTriangleSet.hpp"
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| 23 |
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| 24 | #include <iostream>
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| 25 |
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| 26 | #include "BoundaryLineSet.hpp"
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| 27 | #include "BoundaryPointSet.hpp"
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[6f0841] | 28 | #include "Atom/TesselPoint.hpp"
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[d74077] | 29 |
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[06aedc] | 30 | #include "Helpers/defs.hpp"
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| 31 |
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[ad011c] | 32 | #include "CodePatterns/Assert.hpp"
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| 33 | #include "CodePatterns/Info.hpp"
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| 34 | #include "CodePatterns/Log.hpp"
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[06aedc] | 35 | #include "CodePatterns/Verbose.hpp"
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[783e88] | 36 | #include "LinearAlgebra/Exceptions.hpp"
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[06aedc] | 37 | #include "LinearAlgebra/Line.hpp"
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[8f4df1] | 38 | #include "LinearAlgebra/Plane.hpp"
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| 39 | #include "LinearAlgebra/Vector.hpp"
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[d74077] | 40 |
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| 41 | using namespace std;
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| 42 |
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| 43 | /** Constructor for BoundaryTriangleSet.
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| 44 | */
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| 45 | BoundaryTriangleSet::BoundaryTriangleSet() :
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| 46 | Nr(-1)
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| 47 | {
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| 48 | Info FunctionInfo(__func__);
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| 49 | for (int i = 0; i < 3; i++) {
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| 50 | endpoints[i] = NULL;
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| 51 | lines[i] = NULL;
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| 52 | }
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| 53 | }
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| 54 | ;
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| 55 |
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| 56 | /** Constructor for BoundaryTriangleSet with three lines.
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| 57 | * \param *line[3] lines that make up the triangle
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| 58 | * \param number number of triangle
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| 59 | */
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| 60 | BoundaryTriangleSet::BoundaryTriangleSet(class BoundaryLineSet * const line[3], const int number) :
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| 61 | Nr(number)
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| 62 | {
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| 63 | Info FunctionInfo(__func__);
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| 64 | // set number
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| 65 | // set lines
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| 66 | for (int i = 0; i < 3; i++) {
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| 67 | lines[i] = line[i];
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| 68 | lines[i]->AddTriangle(this);
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| 69 | }
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| 70 | // get ascending order of endpoints
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| 71 | PointMap OrderMap;
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| 72 | for (int i = 0; i < 3; i++) {
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| 73 | // for all three lines
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| 74 | for (int j = 0; j < 2; j++) { // for both endpoints
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| 75 | OrderMap.insert(pair<int, class BoundaryPointSet *> (line[i]->endpoints[j]->Nr, line[i]->endpoints[j]));
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| 76 | // and we don't care whether insertion fails
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| 77 | }
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| 78 | }
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| 79 | // set endpoints
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| 80 | int Counter = 0;
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[47d041] | 81 | LOG(0, "New triangle " << Nr << " with end points: ");
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[d74077] | 82 | for (PointMap::iterator runner = OrderMap.begin(); runner != OrderMap.end(); runner++) {
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| 83 | endpoints[Counter] = runner->second;
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[47d041] | 84 | LOG(0, " " << *endpoints[Counter]);
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[d74077] | 85 | Counter++;
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| 86 | }
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| 87 | ASSERT(Counter >= 3,"We have a triangle with only two distinct endpoints!");
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| 88 | };
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| 89 |
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| 90 |
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| 91 | /** Destructor of BoundaryTriangleSet.
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| 92 | * Removes itself from each of its lines' LineMap and removes them if necessary.
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| 93 | * \note When removing triangles from a class Tesselation, use RemoveTesselationTriangle()
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| 94 | */
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| 95 | BoundaryTriangleSet::~BoundaryTriangleSet()
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| 96 | {
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| 97 | Info FunctionInfo(__func__);
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| 98 | for (int i = 0; i < 3; i++) {
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| 99 | if (lines[i] != NULL) {
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| 100 | if (lines[i]->triangles.erase(Nr)) {
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[47d041] | 101 | //LOG(0, "Triangle Nr." << Nr << " erased in line " << *lines[i] << ".");
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[d74077] | 102 | }
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| 103 | if (lines[i]->triangles.empty()) {
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[47d041] | 104 | //LOG(0, *lines[i] << " is no more attached to any triangle, erasing.");
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[d74077] | 105 | delete (lines[i]);
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| 106 | lines[i] = NULL;
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| 107 | }
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| 108 | }
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| 109 | }
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[47d041] | 110 | //LOG(0, "Erasing triangle Nr." << Nr << " itself.");
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[d74077] | 111 | }
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| 112 | ;
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| 113 |
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| 114 | /** Calculates the normal vector for this triangle.
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| 115 | * Is made unique by comparison with \a OtherVector to point in the other direction.
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| 116 | * \param &OtherVector direction vector to make normal vector unique.
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| 117 | */
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| 118 | void BoundaryTriangleSet::GetNormalVector(const Vector &OtherVector)
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| 119 | {
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| 120 | Info FunctionInfo(__func__);
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| 121 | // get normal vector
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| 122 | NormalVector = Plane((endpoints[0]->node->getPosition()),
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| 123 | (endpoints[1]->node->getPosition()),
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| 124 | (endpoints[2]->node->getPosition())).getNormal();
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| 125 |
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| 126 | // make it always point inward (any offset vector onto plane projected onto normal vector suffices)
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| 127 | if (NormalVector.ScalarProduct(OtherVector) > 0.)
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| 128 | NormalVector.Scale(-1.);
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[47d041] | 129 | LOG(1, "Normal Vector is " << NormalVector << ".");
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[d74077] | 130 | }
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| 131 | ;
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| 132 |
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| 133 | /** Finds the point on the triangle \a *BTS through which the line defined by \a *MolCenter and \a *x crosses.
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| 134 | * We call Vector::GetIntersectionWithPlane() to receive the intersection point with the plane
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| 135 | * Thus we test if it's really on the plane and whether it's inside the triangle on the plane or not.
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| 136 | * The latter is done as follows: We calculate the cross point of one of the triangle's baseline with the line
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| 137 | * given by the intersection and the third basepoint. Then, we check whether it's on the baseline (i.e. between
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| 138 | * the first two basepoints) or not.
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| 139 | * \param *out output stream for debugging
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| 140 | * \param &MolCenter offset vector of line
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| 141 | * \param &x second endpoint of line, minus \a *MolCenter is directional vector of line
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| 142 | * \param &Intersection intersection on plane on return
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| 143 | * \return true - \a *Intersection contains intersection on plane defined by triangle, false - zero vector if outside of triangle.
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| 144 | */
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| 145 |
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| 146 | bool BoundaryTriangleSet::GetIntersectionInsideTriangle(const Vector & MolCenter, const Vector & x, Vector &Intersection) const
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| 147 | {
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| 148 | Info FunctionInfo(__func__);
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| 149 | Vector CrossPoint;
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| 150 | Vector helper;
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| 151 |
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| 152 | try {
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| 153 | Line centerLine = makeLineThrough(MolCenter, x);
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| 154 | Intersection = Plane(NormalVector, (endpoints[0]->node->getPosition())).GetIntersection(centerLine);
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| 155 |
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[47d041] | 156 | LOG(1, "INFO: Triangle is " << *this << ".");
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| 157 | LOG(1, "INFO: Line is from " << MolCenter << " to " << x << ".");
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| 158 | LOG(1, "INFO: Intersection is " << Intersection << ".");
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[d74077] | 159 |
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| 160 | if (Intersection.DistanceSquared(endpoints[0]->node->getPosition()) < MYEPSILON) {
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[47d041] | 161 | LOG(1, "Intersection coindices with first endpoint.");
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[d74077] | 162 | return true;
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| 163 | } else if (Intersection.DistanceSquared(endpoints[1]->node->getPosition()) < MYEPSILON) {
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[47d041] | 164 | LOG(1, "Intersection coindices with second endpoint.");
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[d74077] | 165 | return true;
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| 166 | } else if (Intersection.DistanceSquared(endpoints[2]->node->getPosition()) < MYEPSILON) {
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[47d041] | 167 | LOG(1, "Intersection coindices with third endpoint.");
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[d74077] | 168 | return true;
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| 169 | }
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| 170 | // Calculate cross point between one baseline and the line from the third endpoint to intersection
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| 171 | int i = 0;
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| 172 | do {
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| 173 | Line line1 = makeLineThrough((endpoints[i%3]->node->getPosition()),(endpoints[(i+1)%3]->node->getPosition()));
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| 174 | Line line2 = makeLineThrough((endpoints[(i+2)%3]->node->getPosition()),Intersection);
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| 175 | CrossPoint = line1.getIntersection(line2);
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| 176 | helper = (endpoints[(i+1)%3]->node->getPosition()) - (endpoints[i%3]->node->getPosition());
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| 177 | CrossPoint -= (endpoints[i%3]->node->getPosition()); // cross point was returned as absolute vector
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| 178 | const double s = CrossPoint.ScalarProduct(helper)/helper.NormSquared();
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[47d041] | 179 | LOG(1, "INFO: Factor s is " << s << ".");
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[d74077] | 180 | if ((s < -MYEPSILON) || ((s-1.) > MYEPSILON)) {
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[47d041] | 181 | LOG(1, "INFO: Crosspoint " << CrossPoint << "outside of triangle.");
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[d74077] | 182 | return false;
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| 183 | }
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| 184 | i++;
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| 185 | } while (i < 3);
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[47d041] | 186 | LOG(1, "INFO: Crosspoint " << CrossPoint << " inside of triangle.");
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[d74077] | 187 | return true;
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| 188 | }
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[783e88] | 189 | catch (LinearAlgebraException &excp) {
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[47d041] | 190 | LOG(1, boost::diagnostic_information(excp));
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| 191 | ELOG(1, "Alas! Intersection with plane failed - at least numerically - the intersection is not on the plane!");
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[d74077] | 192 | return false;
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| 193 | }
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[68c923] | 194 | return true;
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[d74077] | 195 | }
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[68c923] | 196 |
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[d74077] | 197 |
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| 198 | /** Finds the point on the triangle to the point \a *x.
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| 199 | * We call Vector::GetIntersectionWithPlane() with \a * and the center of the triangle to receive an intersection point.
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| 200 | * Then we check the in-plane part (the part projected down onto plane). We check whether it crosses one of the
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| 201 | * boundary lines. If it does, we return this intersection as closest point, otherwise the projected point down.
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| 202 | * Thus we test if it's really on the plane and whether it's inside the triangle on the plane or not.
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| 203 | * The latter is done as follows: We calculate the cross point of one of the triangle's baseline with the line
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| 204 | * given by the intersection and the third basepoint. Then, we check whether it's on the baseline (i.e. between
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| 205 | * the first two basepoints) or not.
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| 206 | * \param *x point
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| 207 | * \param *ClosestPoint desired closest point inside triangle to \a *x, is absolute vector
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| 208 | * \return Distance squared between \a *x and closest point inside triangle
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| 209 | */
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| 210 | double BoundaryTriangleSet::GetClosestPointInsideTriangle(const Vector &x, Vector &ClosestPoint) const
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| 211 | {
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| 212 | Info FunctionInfo(__func__);
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| 213 | Vector Direction;
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| 214 |
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| 215 | // 1. get intersection with plane
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[47d041] | 216 | LOG(1, "INFO: Looking for closest point of triangle " << *this << " to " << x << ".");
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[d74077] | 217 | GetCenter(Direction);
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| 218 | try {
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| 219 | Line l = makeLineThrough(x, Direction);
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| 220 | ClosestPoint = Plane(NormalVector, (endpoints[0]->node->getPosition())).GetIntersection(l);
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| 221 | }
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[783e88] | 222 | catch (LinearAlgebraException &excp) {
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[d74077] | 223 | (ClosestPoint) = (x);
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| 224 | }
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| 225 |
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| 226 | // 2. Calculate in plane part of line (x, intersection)
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| 227 | Vector InPlane = (x) - (ClosestPoint); // points from plane intersection to straight-down point
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| 228 | InPlane.ProjectOntoPlane(NormalVector);
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| 229 | InPlane += ClosestPoint;
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| 230 |
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[47d041] | 231 | LOG(2, "INFO: Triangle is " << *this << ".");
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| 232 | LOG(2, "INFO: Line is from " << Direction << " to " << x << ".");
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| 233 | LOG(2, "INFO: In-plane part is " << InPlane << ".");
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[d74077] | 234 |
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| 235 | // Calculate cross point between one baseline and the desired point such that distance is shortest
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| 236 | double ShortestDistance = -1.;
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| 237 | bool InsideFlag = false;
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| 238 | Vector CrossDirection[3];
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| 239 | Vector CrossPoint[3];
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| 240 | Vector helper;
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| 241 | for (int i = 0; i < 3; i++) {
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| 242 | // treat direction of line as normal of a (cut)plane and the desired point x as the plane offset, the intersect line with point
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| 243 | Direction = (endpoints[(i+1)%3]->node->getPosition()) - (endpoints[i%3]->node->getPosition());
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| 244 | // calculate intersection, line can never be parallel to Direction (is the same vector as PlaneNormal);
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| 245 | Line l = makeLineThrough((endpoints[i%3]->node->getPosition()), (endpoints[(i+1)%3]->node->getPosition()));
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| 246 | CrossPoint[i] = Plane(Direction, InPlane).GetIntersection(l);
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| 247 | CrossDirection[i] = CrossPoint[i] - InPlane;
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| 248 | CrossPoint[i] -= (endpoints[i%3]->node->getPosition()); // cross point was returned as absolute vector
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| 249 | const double s = CrossPoint[i].ScalarProduct(Direction)/Direction.NormSquared();
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[47d041] | 250 | LOG(2, "INFO: Factor s is " << s << ".");
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[d74077] | 251 | if ((s >= -MYEPSILON) && ((s-1.) <= MYEPSILON)) {
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| 252 | CrossPoint[i] += (endpoints[i%3]->node->getPosition()); // make cross point absolute again
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[47d041] | 253 | LOG(2, "INFO: Crosspoint is " << CrossPoint[i] << ", intersecting BoundaryLine between " << endpoints[i % 3]->node->getPosition() << " and " << endpoints[(i + 1) % 3]->node->getPosition() << ".");
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[d74077] | 254 | const double distance = CrossPoint[i].DistanceSquared(x);
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| 255 | if ((ShortestDistance < 0.) || (ShortestDistance > distance)) {
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| 256 | ShortestDistance = distance;
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| 257 | (ClosestPoint) = CrossPoint[i];
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| 258 | }
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| 259 | } else
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| 260 | CrossPoint[i].Zero();
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| 261 | }
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| 262 | InsideFlag = true;
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| 263 | for (int i = 0; i < 3; i++) {
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| 264 | const double sign = CrossDirection[i].ScalarProduct(CrossDirection[(i + 1) % 3]);
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| 265 | const double othersign = CrossDirection[i].ScalarProduct(CrossDirection[(i + 2) % 3]);
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| 266 |
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| 267 | if ((sign > -MYEPSILON) && (othersign > -MYEPSILON)) // have different sign
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| 268 | InsideFlag = false;
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| 269 | }
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| 270 | if (InsideFlag) {
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| 271 | (ClosestPoint) = InPlane;
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| 272 | ShortestDistance = InPlane.DistanceSquared(x);
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| 273 | } else { // also check endnodes
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| 274 | for (int i = 0; i < 3; i++) {
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| 275 | const double distance = x.DistanceSquared(endpoints[i]->node->getPosition());
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| 276 | if ((ShortestDistance < 0.) || (ShortestDistance > distance)) {
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| 277 | ShortestDistance = distance;
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| 278 | (ClosestPoint) = (endpoints[i]->node->getPosition());
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| 279 | }
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| 280 | }
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| 281 | }
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[47d041] | 282 | LOG(1, "INFO: Closest Point is " << ClosestPoint << " with shortest squared distance is " << ShortestDistance << ".");
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[d74077] | 283 | return ShortestDistance;
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| 284 | }
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| 285 | ;
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| 286 |
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| 287 | /** Checks whether lines is any of the three boundary lines this triangle contains.
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| 288 | * \param *line line to test
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| 289 | * \return true - line is of the triangle, false - is not
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| 290 | */
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| 291 | bool BoundaryTriangleSet::ContainsBoundaryLine(const BoundaryLineSet * const line) const
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| 292 | {
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| 293 | Info FunctionInfo(__func__);
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| 294 | for (int i = 0; i < 3; i++)
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| 295 | if (line == lines[i])
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| 296 | return true;
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| 297 | return false;
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| 298 | }
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| 299 | ;
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| 300 |
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| 301 | /** Checks whether point is any of the three endpoints this triangle contains.
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| 302 | * \param *point point to test
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| 303 | * \return true - point is of the triangle, false - is not
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| 304 | */
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| 305 | bool BoundaryTriangleSet::ContainsBoundaryPoint(const BoundaryPointSet * const point) const
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| 306 | {
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| 307 | Info FunctionInfo(__func__);
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| 308 | for (int i = 0; i < 3; i++)
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| 309 | if (point == endpoints[i])
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| 310 | return true;
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| 311 | return false;
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| 312 | }
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| 313 | ;
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| 314 |
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| 315 | /** Checks whether point is any of the three endpoints this triangle contains.
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| 316 | * \param *point TesselPoint to test
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| 317 | * \return true - point is of the triangle, false - is not
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| 318 | */
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| 319 | bool BoundaryTriangleSet::ContainsBoundaryPoint(const TesselPoint * const point) const
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| 320 | {
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| 321 | Info FunctionInfo(__func__);
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| 322 | for (int i = 0; i < 3; i++)
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| 323 | if (point == endpoints[i]->node)
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| 324 | return true;
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| 325 | return false;
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| 326 | }
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| 327 | ;
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| 328 |
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| 329 | /** Checks whether three given \a *Points coincide with triangle's endpoints.
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| 330 | * \param *Points[3] pointer to BoundaryPointSet
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| 331 | * \return true - is the very triangle, false - is not
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| 332 | */
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| 333 | bool BoundaryTriangleSet::IsPresentTupel(const BoundaryPointSet * const Points[3]) const
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| 334 | {
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| 335 | Info FunctionInfo(__func__);
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[47d041] | 336 | LOG(1, "INFO: Checking " << Points[0] << "," << Points[1] << "," << Points[2] << " against " << endpoints[0] << "," << endpoints[1] << "," << endpoints[2] << ".");
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[d74077] | 337 | return (((endpoints[0] == Points[0]) || (endpoints[0] == Points[1]) || (endpoints[0] == Points[2])) && ((endpoints[1] == Points[0]) || (endpoints[1] == Points[1]) || (endpoints[1] == Points[2])) && ((endpoints[2] == Points[0]) || (endpoints[2] == Points[1]) || (endpoints[2] == Points[2])
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| 338 |
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| 339 | ));
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| 340 | }
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| 341 | ;
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| 342 |
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| 343 | /** Checks whether three given \a *Points coincide with triangle's endpoints.
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| 344 | * \param *Points[3] pointer to BoundaryPointSet
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| 345 | * \return true - is the very triangle, false - is not
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| 346 | */
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| 347 | bool BoundaryTriangleSet::IsPresentTupel(const BoundaryTriangleSet * const T) const
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| 348 | {
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| 349 | Info FunctionInfo(__func__);
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| 350 | return (((endpoints[0] == T->endpoints[0]) || (endpoints[0] == T->endpoints[1]) || (endpoints[0] == T->endpoints[2])) && ((endpoints[1] == T->endpoints[0]) || (endpoints[1] == T->endpoints[1]) || (endpoints[1] == T->endpoints[2])) && ((endpoints[2] == T->endpoints[0]) || (endpoints[2] == T->endpoints[1]) || (endpoints[2] == T->endpoints[2])
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| 351 |
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| 352 | ));
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| 353 | }
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| 354 | ;
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| 355 |
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| 356 | /** Returns the endpoint which is not contained in the given \a *line.
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| 357 | * \param *line baseline defining two endpoints
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| 358 | * \return pointer third endpoint or NULL if line does not belong to triangle.
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| 359 | */
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| 360 | class BoundaryPointSet *BoundaryTriangleSet::GetThirdEndpoint(const BoundaryLineSet * const line) const
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| 361 | {
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| 362 | Info FunctionInfo(__func__);
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| 363 | // sanity check
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| 364 | if (!ContainsBoundaryLine(line))
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| 365 | return NULL;
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| 366 | for (int i = 0; i < 3; i++)
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| 367 | if (!line->ContainsBoundaryPoint(endpoints[i]))
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| 368 | return endpoints[i];
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| 369 | // actually, that' impossible :)
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| 370 | return NULL;
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| 371 | }
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| 372 | ;
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| 373 |
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| 374 | /** Returns the baseline which does not contain the given boundary point \a *point.
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| 375 | * \param *point endpoint which is neither endpoint of the desired line
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| 376 | * \return pointer to desired third baseline
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| 377 | */
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| 378 | class BoundaryLineSet *BoundaryTriangleSet::GetThirdLine(const BoundaryPointSet * const point) const
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| 379 | {
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| 380 | Info FunctionInfo(__func__);
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| 381 | // sanity check
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| 382 | if (!ContainsBoundaryPoint(point))
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| 383 | return NULL;
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| 384 | for (int i = 0; i < 3; i++)
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| 385 | if (!lines[i]->ContainsBoundaryPoint(point))
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| 386 | return lines[i];
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| 387 | // actually, that' impossible :)
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| 388 | return NULL;
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| 389 | }
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| 390 | ;
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| 391 |
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| 392 | /** Calculates the center point of the triangle.
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| 393 | * Is third of the sum of all endpoints.
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| 394 | * \param *center central point on return.
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| 395 | */
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| 396 | void BoundaryTriangleSet::GetCenter(Vector & center) const
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| 397 | {
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| 398 | Info FunctionInfo(__func__);
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| 399 | center.Zero();
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| 400 | for (int i = 0; i < 3; i++)
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| 401 | (center) += (endpoints[i]->node->getPosition());
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| 402 | center.Scale(1. / 3.);
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[47d041] | 403 | LOG(1, "INFO: Center is at " << center << ".");
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[d74077] | 404 | }
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| 405 |
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| 406 | /**
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| 407 | * gets the Plane defined by the three triangle Basepoints
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| 408 | */
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| 409 | Plane BoundaryTriangleSet::getPlane() const{
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| 410 | ASSERT(endpoints[0] && endpoints[1] && endpoints[2], "Triangle not fully defined");
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| 411 |
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| 412 | return Plane(endpoints[0]->node->getPosition(),
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| 413 | endpoints[1]->node->getPosition(),
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| 414 | endpoints[2]->node->getPosition());
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| 415 | }
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| 416 |
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| 417 | Vector BoundaryTriangleSet::getEndpoint(int i) const{
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| 418 | ASSERT(i>=0 && i<3,"Index of Endpoint out of Range");
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| 419 |
|
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| 420 | return endpoints[i]->node->getPosition();
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| 421 | }
|
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| 422 |
|
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| 423 | string BoundaryTriangleSet::getEndpointName(int i) const{
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| 424 | ASSERT(i>=0 && i<3,"Index of Endpoint out of Range");
|
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| 425 |
|
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| 426 | return endpoints[i]->node->getName();
|
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| 427 | }
|
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| 428 |
|
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| 429 | /** output operator for BoundaryTriangleSet.
|
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| 430 | * \param &ost output stream
|
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| 431 | * \param &a boundary triangle
|
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| 432 | */
|
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| 433 | ostream &operator <<(ostream &ost, const BoundaryTriangleSet &a)
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| 434 | {
|
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| 435 | ost << "[" << a.Nr << "|" << a.getEndpointName(0) << "," << a.getEndpointName(1) << "," << a.getEndpointName(2) << "]";
|
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| 436 | // ost << "[" << a.Nr << "|" << a.endpoints[0]->node->Name << " at " << *a.endpoints[0]->node->node << ","
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| 437 | // << a.endpoints[1]->node->Name << " at " << *a.endpoints[1]->node->node << "," << a.endpoints[2]->node->Name << " at " << *a.endpoints[2]->node->node << "]";
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| 438 | return ost;
|
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| 439 | }
|
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| 440 | ;
|
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| 441 |
|
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