[bcf653] | 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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| 4 | * Copyright (C) 2010 University of Bonn. All rights reserved.
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| 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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[6f646d] | 8 | /*
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| 9 | * Line.cpp
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| 10 | *
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| 11 | * Created on: Apr 30, 2010
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| 12 | * Author: crueger
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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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[112b09] | 20 | #include "Helpers/MemDebug.hpp"
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| 21 |
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[57f243] | 22 | #include "LinearAlgebra/Line.hpp"
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[6f646d] | 23 |
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| 24 | #include <cmath>
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[a439e5] | 25 | #include <iostream>
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[6f646d] | 26 |
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[57f243] | 27 | #include "LinearAlgebra/Vector.hpp"
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[952f38] | 28 | #include "Helpers/Log.hpp"
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| 29 | #include "Helpers/Verbose.hpp"
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[57f243] | 30 | #include "LinearAlgebra/gslmatrix.hpp"
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[952f38] | 31 | #include "Helpers/Info.hpp"
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[45ef76] | 32 | #include "Exceptions/LinearDependenceException.hpp"
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| 33 | #include "Exceptions/SkewException.hpp"
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[57f243] | 34 | #include "LinearAlgebra/Plane.hpp"
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[6f646d] | 35 |
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[45ef76] | 36 | using namespace std;
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| 37 |
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| 38 | Line::Line(const Vector &_origin, const Vector &_direction) :
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[6f646d] | 39 | direction(new Vector(_direction))
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| 40 | {
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| 41 | direction->Normalize();
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[45ef76] | 42 | origin.reset(new Vector(_origin.partition(*direction).second));
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[6f646d] | 43 | }
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| 44 |
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[45ef76] | 45 | Line::Line(const Line &src) :
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| 46 | origin(new Vector(*src.origin)),
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| 47 | direction(new Vector(*src.direction))
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| 48 | {}
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| 49 |
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[6f646d] | 50 | Line::~Line()
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| 51 | {}
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| 52 |
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| 53 |
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| 54 | double Line::distance(const Vector &point) const{
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[45ef76] | 55 | // get any vector from line to point
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| 56 | Vector helper = point - *origin;
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| 57 | // partition this vector along direction
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| 58 | // the residue points from the line to the point
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| 59 | return helper.partition(*direction).second.Norm();
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[6f646d] | 60 | }
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| 61 |
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| 62 | Vector Line::getClosestPoint(const Vector &point) const{
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[45ef76] | 63 | // get any vector from line to point
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| 64 | Vector helper = point - *origin;
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| 65 | // partition this vector along direction
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| 66 | // add only the part along the direction
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| 67 | return *origin + helper.partition(*direction).first;
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| 68 | }
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| 69 |
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| 70 | Vector Line::getDirection() const{
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| 71 | return *direction;
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| 72 | }
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| 73 |
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| 74 | Vector Line::getOrigin() const{
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| 75 | return *origin;
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| 76 | }
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| 77 |
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| 78 | vector<Vector> Line::getPointsOnLine() const{
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| 79 | vector<Vector> res;
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| 80 | res.reserve(2);
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| 81 | res.push_back(*origin);
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| 82 | res.push_back(*origin+*direction);
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| 83 | return res;
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| 84 | }
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| 85 |
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[643e76] | 86 | /** Calculates the intersection of the two lines that are both on the same plane.
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| 87 | * This is taken from Weisstein, Eric W. "Line-Line Intersection." From MathWorld--A Wolfram Web Resource. http://mathworld.wolfram.com/Line-LineIntersection.html
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| 88 | * \param *out output stream for debugging
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| 89 | * \param *Line1a first vector of first line
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| 90 | * \param *Line1b second vector of first line
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| 91 | * \param *Line2a first vector of second line
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| 92 | * \param *Line2b second vector of second line
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| 93 | * \return true - \a this will contain the intersection on return, false - lines are parallel
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| 94 | */
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[45ef76] | 95 | Vector Line::getIntersection(const Line& otherLine) const{
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| 96 | Info FunctionInfo(__func__);
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| 97 |
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| 98 | pointset line1Points = getPointsOnLine();
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| 99 |
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| 100 | Vector Line1a = line1Points[0];
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| 101 | Vector Line1b = line1Points[1];
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| 102 |
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| 103 | pointset line2Points = otherLine.getPointsOnLine();
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| 104 |
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| 105 | Vector Line2a = line2Points[0];
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| 106 | Vector Line2b = line2Points[1];
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| 107 |
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| 108 | Vector res;
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| 109 |
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| 110 | auto_ptr<GSLMatrix> M = auto_ptr<GSLMatrix>(new GSLMatrix(4,4));
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| 111 |
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| 112 | M->SetAll(1.);
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| 113 | for (int i=0;i<3;i++) {
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| 114 | M->Set(0, i, Line1a[i]);
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| 115 | M->Set(1, i, Line1b[i]);
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| 116 | M->Set(2, i, Line2a[i]);
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| 117 | M->Set(3, i, Line2b[i]);
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| 118 | }
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| 119 |
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| 120 | //Log() << Verbose(1) << "Coefficent matrix is:" << endl;
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| 121 | //for (int i=0;i<4;i++) {
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| 122 | // for (int j=0;j<4;j++)
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| 123 | // cout << "\t" << M->Get(i,j);
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| 124 | // cout << endl;
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| 125 | //}
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| 126 | if (fabs(M->Determinant()) > MYEPSILON) {
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| 127 | Log() << Verbose(1) << "Determinant of coefficient matrix is NOT zero." << endl;
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| 128 | throw SkewException(__FILE__,__LINE__);
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| 129 | }
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| 130 |
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| 131 | Log() << Verbose(1) << "INFO: Line1a = " << Line1a << ", Line1b = " << Line1b << ", Line2a = " << Line2a << ", Line2b = " << Line2b << "." << endl;
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| 132 |
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| 133 |
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| 134 | // constuct a,b,c
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| 135 | Vector a = Line1b - Line1a;
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| 136 | Vector b = Line2b - Line2a;
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| 137 | Vector c = Line2a - Line1a;
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| 138 | Vector d = Line2b - Line1b;
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| 139 | Log() << Verbose(1) << "INFO: a = " << a << ", b = " << b << ", c = " << c << "." << endl;
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| 140 | if ((a.NormSquared() < MYEPSILON) || (b.NormSquared() < MYEPSILON)) {
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| 141 | res.Zero();
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| 142 | Log() << Verbose(1) << "At least one of the lines is ill-defined, i.e. offset equals second vector." << endl;
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| 143 | throw LinearDependenceException(__FILE__,__LINE__);
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| 144 | }
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| 145 |
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| 146 | // check for parallelity
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| 147 | Vector parallel;
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| 148 | double factor = 0.;
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| 149 | if (fabs(a.ScalarProduct(b)*a.ScalarProduct(b)/a.NormSquared()/b.NormSquared() - 1.) < MYEPSILON) {
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| 150 | parallel = Line1a - Line2a;
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| 151 | factor = parallel.ScalarProduct(a)/a.Norm();
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| 152 | if ((factor >= -MYEPSILON) && (factor - 1. < MYEPSILON)) {
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| 153 | res = Line2a;
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| 154 | Log() << Verbose(1) << "Lines conincide." << endl;
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| 155 | return res;
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| 156 | } else {
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| 157 | parallel = Line1a - Line2b;
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| 158 | factor = parallel.ScalarProduct(a)/a.Norm();
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| 159 | if ((factor >= -MYEPSILON) && (factor - 1. < MYEPSILON)) {
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| 160 | res = Line2b;
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| 161 | Log() << Verbose(1) << "Lines conincide." << endl;
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| 162 | return res;
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| 163 | }
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| 164 | }
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| 165 | Log() << Verbose(1) << "Lines are parallel." << endl;
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| 166 | res.Zero();
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| 167 | throw LinearDependenceException(__FILE__,__LINE__);
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| 168 | }
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| 169 |
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| 170 | // obtain s
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| 171 | double s;
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| 172 | Vector temp1, temp2;
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| 173 | temp1 = c;
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| 174 | temp1.VectorProduct(b);
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| 175 | temp2 = a;
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| 176 | temp2.VectorProduct(b);
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| 177 | Log() << Verbose(1) << "INFO: temp1 = " << temp1 << ", temp2 = " << temp2 << "." << endl;
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| 178 | if (fabs(temp2.NormSquared()) > MYEPSILON)
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| 179 | s = temp1.ScalarProduct(temp2)/temp2.NormSquared();
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| 180 | else
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| 181 | s = 0.;
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| 182 | Log() << Verbose(1) << "Factor s is " << temp1.ScalarProduct(temp2) << "/" << temp2.NormSquared() << " = " << s << "." << endl;
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| 183 |
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| 184 | // construct intersection
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| 185 | res = a;
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| 186 | res.Scale(s);
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| 187 | res += Line1a;
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| 188 | Log() << Verbose(1) << "Intersection is at " << res << "." << endl;
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| 189 |
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| 190 | return res;
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| 191 | }
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| 192 |
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[42a101] | 193 | /** Rotates the vector by an angle of \a alpha around this line.
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| 194 | * \param rhs Vector to rotate
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| 195 | * \param alpha rotation angle in radian
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| 196 | */
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| 197 | Vector Line::rotateVector(const Vector &rhs, double alpha) const{
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| 198 | Vector helper = rhs;
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| 199 |
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| 200 | // translate the coordinate system so that the line goes through (0,0,0)
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| 201 | helper -= *origin;
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| 202 |
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| 203 | // partition the vector into a part that gets rotated and a part that lies along the line
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| 204 | pair<Vector,Vector> parts = helper.partition(*direction);
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| 205 |
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| 206 | // we just keep anything that is along the axis
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| 207 | Vector res = parts.first;
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| 208 |
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| 209 | // the rest has to be rotated
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| 210 | Vector a = parts.second;
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| 211 | // we only have to do the rest, if we actually could partition the vector
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| 212 | if(!a.IsZero()){
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| 213 | // construct a vector that is orthogonal to a and direction and has length |a|
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| 214 | Vector y = a;
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| 215 | // direction is normalized, so the result has length |a|
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| 216 | y.VectorProduct(*direction);
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| 217 |
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| 218 | res += cos(alpha) * a + sin(alpha) * y;
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| 219 | }
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| 220 |
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| 221 | // translate the coordinate system back
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| 222 | res += *origin;
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| 223 | return res;
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| 224 | }
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| 225 |
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[5589858] | 226 | Plane Line::getOrthogonalPlane(const Vector &origin) const{
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| 227 | return Plane(getDirection(),origin);
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| 228 | }
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| 229 |
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[f932b7] | 230 | std::vector<Vector> Line::getSphereIntersections() const{
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| 231 | std::vector<Vector> res;
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| 232 |
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| 233 | // line is kept in normalized form, so we can skip a lot of calculations
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| 234 | double discriminant = 1-origin->NormSquared();
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| 235 | // we might have 2, 1 or 0 solutions, depending on discriminant
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| 236 | if(discriminant>=0){
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| 237 | if(discriminant==0){
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| 238 | res.push_back(*origin);
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| 239 | }
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| 240 | else{
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| 241 | Vector helper = sqrt(discriminant)*(*direction);
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| 242 | res.push_back(*origin+helper);
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| 243 | res.push_back(*origin-helper);
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| 244 | }
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| 245 | }
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| 246 | return res;
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| 247 | }
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| 248 |
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[45ef76] | 249 | Line makeLineThrough(const Vector &x1, const Vector &x2){
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| 250 | if(x1==x2){
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| 251 | throw LinearDependenceException(__FILE__,__LINE__);
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| 252 | }
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| 253 | return Line(x1,x1-x2);
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[6f646d] | 254 | }
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[e0ba10] | 255 |
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| 256 | ostream& operator<<(ostream& ost, const Line& m)
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| 257 | {
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| 258 | const Vector origin = m.getOrigin();
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| 259 | const Vector direction = m.getDirection();
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| 260 | ost << "(";
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| 261 | for (int i=0;i<NDIM;i++) {
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| 262 | ost << origin[i];
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| 263 | if (i != 2)
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| 264 | ost << ",";
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| 265 | }
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| 266 | ost << ") -> (";
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| 267 | for (int i=0;i<NDIM;i++) {
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| 268 | ost << direction[i];
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| 269 | if (i != 2)
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| 270 | ost << ",";
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| 271 | }
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| 272 | ost << ")";
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| 273 | return ost;
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| 274 | };
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| 275 |
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