| [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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| [e38447] | 8 | /* | 
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|  | 9 | * BaseShapes_impl.cpp | 
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|  | 10 | * | 
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|  | 11 | *  Created on: Jun 18, 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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| [ad011c] | 20 | #include "CodePatterns/MemDebug.hpp" | 
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| [bbbad5] | 21 |  | 
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| [e38447] | 22 | #include "Shapes/BaseShapes.hpp" | 
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|  | 23 | #include "Shapes/BaseShapes_impl.hpp" | 
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| [b94634] | 24 | #include "Shapes/ShapeExceptions.hpp" | 
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| [f3526d] | 25 | #include "Shapes/ShapeOps.hpp" | 
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| [e38447] | 26 |  | 
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| [e4fe8d] | 27 | #include "Helpers/defs.hpp" | 
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| [5de9da] | 28 |  | 
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| [ad011c] | 29 | #include "CodePatterns/Assert.hpp" | 
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| [57f243] | 30 | #include "LinearAlgebra/Vector.hpp" | 
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| [6c438f] | 31 | #include "LinearAlgebra/Line.hpp" | 
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|  | 32 | #include "LinearAlgebra/Plane.hpp" | 
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|  | 33 | #include "LinearAlgebra/LineSegment.hpp" | 
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|  | 34 | #include "LinearAlgebra/LineSegmentSet.hpp" | 
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| [c6f395] | 35 |  | 
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| [5de9da] | 36 | #include <cmath> | 
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| [d76a7c] | 37 | #include <algorithm> | 
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| [e38447] | 38 |  | 
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|  | 39 | bool Sphere_impl::isInside(const Vector &point){ | 
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|  | 40 | return point.NormSquared()<=1; | 
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|  | 41 | } | 
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|  | 42 |  | 
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| [5de9da] | 43 | bool Sphere_impl::isOnSurface(const Vector &point){ | 
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|  | 44 | return fabs(point.NormSquared()-1)<MYEPSILON; | 
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|  | 45 | } | 
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|  | 46 |  | 
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|  | 47 | Vector Sphere_impl::getNormal(const Vector &point) throw(NotOnSurfaceException){ | 
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|  | 48 | if(!isOnSurface(point)){ | 
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| [b94634] | 49 | throw NotOnSurfaceException() << ShapeVector(&point); | 
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| [5de9da] | 50 | } | 
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|  | 51 | return point; | 
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|  | 52 | } | 
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|  | 53 |  | 
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| [c6f395] | 54 | LineSegmentSet Sphere_impl::getLineIntersections(const Line &line){ | 
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|  | 55 | LineSegmentSet res(line); | 
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|  | 56 | std::vector<Vector> intersections = line.getSphereIntersections(); | 
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|  | 57 | if(intersections.size()==2){ | 
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|  | 58 | res.insert(LineSegment(intersections[0],intersections[1])); | 
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|  | 59 | } | 
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|  | 60 | return res; | 
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|  | 61 | } | 
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|  | 62 |  | 
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| [cfda65] | 63 | string Sphere_impl::toString(){ | 
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|  | 64 | return "Sphere()"; | 
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|  | 65 | } | 
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|  | 66 |  | 
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| [c5186e] | 67 | /** | 
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|  | 68 | * algorithm taken from http://www.cgafaq.info/wiki/Evenly_distributed_points_on_sphere | 
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|  | 69 | * \param N number of points on surface | 
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|  | 70 | */ | 
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| [f6ba43] | 71 | std::vector<Vector> Sphere_impl::getHomogeneousPointsOnSurface(const size_t N) const | 
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|  | 72 | { | 
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| [c5186e] | 73 | std::vector<Vector> PointsOnSurface; | 
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|  | 74 |  | 
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| [faca99] | 75 | double PI=3.14159265358979323846; | 
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|  | 76 | double a=4*PI/N; | 
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|  | 77 | double d= sqrt(a); | 
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|  | 78 | int Mtheta=int(PI/d); | 
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|  | 79 | double dtheta=PI/Mtheta; | 
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|  | 80 | double dphi=a/dtheta; | 
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|  | 81 | for (int m=0; m<Mtheta; m++) | 
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|  | 82 | { | 
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|  | 83 | double theta=PI*(m+0.5)/Mtheta; | 
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|  | 84 | int Mphi=int(2*PI*sin(theta)/dphi); | 
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|  | 85 | for (int n=0; n<Mphi;n++) | 
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|  | 86 | { | 
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|  | 87 | double phi= 2*PI*n/Mphi; | 
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|  | 88 | Vector point; | 
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|  | 89 | point.Zero(); | 
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|  | 90 | point[0]=sin(theta)*cos(phi); | 
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|  | 91 | point[1]=sin(theta)*sin(phi); | 
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|  | 92 | point[2]=cos(theta); | 
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|  | 93 | PointsOnSurface.push_back(point); | 
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|  | 94 | } | 
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|  | 95 | } | 
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|  | 96 | /*const double dlength = M_PI*(3.-sqrt(5.)); | 
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| [c5186e] | 97 | double length = 0; | 
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|  | 98 | const double dz = 2.0/N; | 
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|  | 99 | double z = 1. - dz/2.; | 
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|  | 100 | Vector point; | 
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| [9c1c89] | 101 | for (size_t ka = 0; ka<N; ka++){ | 
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| [c5186e] | 102 | const double r = sqrt(1.-z*z); | 
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|  | 103 | point.Zero(); | 
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|  | 104 | point[0] = cos(length)*r; | 
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|  | 105 | point[1] = sin(length)*r; | 
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|  | 106 | point[2] = z; | 
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|  | 107 | PointsOnSurface.push_back(point); | 
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|  | 108 | z = z - dz; | 
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| [faca99] | 109 | length = length + dlength;*/ | 
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| [c5186e] | 110 |  | 
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| [f6ba43] | 111 | //  ASSERT(PointsOnSurface.size() == N, | 
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|  | 112 | //      "Sphere_impl::getHomogeneousPointsOnSurface() did not create " | 
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|  | 113 | //      +::toString(N)+" but "+::toString(PointsOnSurface.size())+" points."); | 
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| [c5186e] | 114 | return PointsOnSurface; | 
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|  | 115 | } | 
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|  | 116 |  | 
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|  | 117 |  | 
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| [e38447] | 118 | Shape Sphere(){ | 
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|  | 119 | Shape::impl_ptr impl = Shape::impl_ptr(new Sphere_impl()); | 
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|  | 120 | return Shape(impl); | 
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|  | 121 | } | 
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|  | 122 |  | 
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| [f3526d] | 123 | Shape Sphere(const Vector ¢er,double radius){ | 
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|  | 124 | return translate(resize(Sphere(),radius),center); | 
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|  | 125 | } | 
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|  | 126 |  | 
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|  | 127 | Shape Ellipsoid(const Vector ¢er, const Vector &radius){ | 
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|  | 128 | return translate(stretch(Sphere(),radius),center); | 
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|  | 129 | } | 
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|  | 130 |  | 
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| [e38447] | 131 | bool Cuboid_impl::isInside(const Vector &point){ | 
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| [0d02fb] | 132 | return (point[0]>=0 && point[0]<=1) && (point[1]>=0 && point[1]<=1) && (point[2]>=0 && point[2]<=1); | 
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| [5de9da] | 133 | } | 
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|  | 134 |  | 
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|  | 135 | bool Cuboid_impl::isOnSurface(const Vector &point){ | 
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|  | 136 | bool retVal = isInside(point); | 
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|  | 137 | // test all borders of the cuboid | 
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|  | 138 | // double fabs | 
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|  | 139 | retVal = retVal && | 
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| [6c438f] | 140 | (((fabs(point[0]-1.)  < MYEPSILON) || (fabs(point[0])  < MYEPSILON)) || | 
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|  | 141 | ((fabs(point[1]-1.)  < MYEPSILON) || (fabs(point[1])  < MYEPSILON)) || | 
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|  | 142 | ((fabs(point[2]-1.)  < MYEPSILON) || (fabs(point[2])  < MYEPSILON))); | 
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| [5de9da] | 143 | return retVal; | 
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|  | 144 | } | 
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|  | 145 |  | 
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|  | 146 | Vector Cuboid_impl::getNormal(const Vector &point) throw(NotOnSurfaceException){ | 
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|  | 147 | if(!isOnSurface(point)){ | 
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| [b94634] | 148 | throw NotOnSurfaceException() << ShapeVector(&point); | 
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| [5de9da] | 149 | } | 
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|  | 150 | Vector res; | 
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|  | 151 | // figure out on which sides the Vector lies (maximum 3, when it is in a corner) | 
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|  | 152 | for(int i=NDIM;i--;){ | 
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|  | 153 | if(fabs(fabs(point[i])-1)<MYEPSILON){ | 
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|  | 154 | // add the scaled (-1/+1) Vector to the set of surface vectors | 
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|  | 155 | res[i] = point[i]; | 
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|  | 156 | } | 
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|  | 157 | } | 
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|  | 158 | ASSERT(res.NormSquared()>=1 && res.NormSquared()<=3,"To many or to few sides found for this Vector"); | 
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|  | 159 |  | 
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|  | 160 | res.Normalize(); | 
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|  | 161 | return res; | 
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| [e38447] | 162 | } | 
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|  | 163 |  | 
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| [c6f395] | 164 | LineSegmentSet Cuboid_impl::getLineIntersections(const Line &line){ | 
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|  | 165 | LineSegmentSet res(line); | 
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|  | 166 | // get the intersection on each of the six faces | 
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|  | 167 | vector<Vector> intersections; | 
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|  | 168 | intersections.resize(2); | 
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|  | 169 | int c=0; | 
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|  | 170 | int x[2]={-1,+1}; | 
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|  | 171 | for(int i=NDIM;i--;){ | 
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|  | 172 | for(int p=0;p<2;++p){ | 
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|  | 173 | if(c==2) goto end; // I know this sucks, but breaking two loops is stupid | 
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|  | 174 | Vector base; | 
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|  | 175 | base[i]=x[p]; | 
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|  | 176 | // base now points to the surface and is normal to it at the same time | 
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|  | 177 | Plane p(base,base); | 
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|  | 178 | Vector intersection = p.GetIntersection(line); | 
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|  | 179 | if(isInside(intersection)){ | 
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|  | 180 | // if we have a point on the edge it might already be contained | 
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|  | 181 | if(c==1 && intersections[0]==intersection) | 
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|  | 182 | continue; | 
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|  | 183 | intersections[c++]=intersection; | 
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|  | 184 | } | 
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|  | 185 | } | 
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|  | 186 | } | 
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|  | 187 | end: | 
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|  | 188 | if(c==2){ | 
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|  | 189 | res.insert(LineSegment(intersections[0],intersections[1])); | 
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|  | 190 | } | 
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|  | 191 | return res; | 
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|  | 192 | } | 
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|  | 193 |  | 
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| [cfda65] | 194 | string Cuboid_impl::toString(){ | 
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|  | 195 | return "Cuboid()"; | 
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|  | 196 | } | 
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|  | 197 |  | 
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| [c5186e] | 198 | /** | 
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|  | 199 | * \param N number of points on surface | 
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|  | 200 | */ | 
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| [9c1c89] | 201 | std::vector<Vector> Cuboid_impl::getHomogeneousPointsOnSurface(const size_t N) const { | 
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| [c5186e] | 202 | std::vector<Vector> PointsOnSurface; | 
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|  | 203 | ASSERT(false, "Cuboid_impl::getHomogeneousPointsOnSurface() not implemented yet"); | 
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|  | 204 | return PointsOnSurface; | 
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|  | 205 | } | 
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|  | 206 |  | 
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| [e38447] | 207 | Shape Cuboid(){ | 
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| [5de9da] | 208 | Shape::impl_ptr impl = Shape::impl_ptr(new Cuboid_impl()); | 
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| [e38447] | 209 | return Shape(impl); | 
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|  | 210 | } | 
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| [d76a7c] | 211 |  | 
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|  | 212 | Shape Cuboid(const Vector &corner1, const Vector &corner2){ | 
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|  | 213 | // make sure the two edges are upper left front and lower right back | 
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|  | 214 | Vector sortedC1; | 
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|  | 215 | Vector sortedC2; | 
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|  | 216 | for(int i=NDIM;i--;){ | 
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|  | 217 | sortedC1[i] = min(corner1[i],corner2[i]); | 
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|  | 218 | sortedC2[i] = max(corner1[i],corner2[i]); | 
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|  | 219 | ASSERT(corner1[i]!=corner2[i],"Given points for cuboid edges did not define a valid space"); | 
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|  | 220 | } | 
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|  | 221 | // get the middle point | 
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|  | 222 | Vector middle = (1./2.)*(sortedC1+sortedC2); | 
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|  | 223 | Vector factors = sortedC2-middle; | 
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|  | 224 | return translate(stretch(Cuboid(),factors),middle); | 
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|  | 225 | } | 
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