| 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)  2010-2012 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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| 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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| 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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| 20 | #include "CodePatterns/MemDebug.hpp" | 
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| 21 |  | 
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| 22 | #include "Shapes/BaseShapes.hpp" | 
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| 23 | #include "Shapes/BaseShapes_impl.hpp" | 
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| 24 | #include "Shapes/ShapeExceptions.hpp" | 
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| 25 | #include "Shapes/ShapeOps.hpp" | 
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| 26 |  | 
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| 27 | #include "Helpers/defs.hpp" | 
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| 28 |  | 
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| 29 | #include "CodePatterns/Assert.hpp" | 
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| 30 | #include "LinearAlgebra/Vector.hpp" | 
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| 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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| 35 |  | 
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| 36 | #include <cmath> | 
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| 37 | #include <algorithm> | 
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| 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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| 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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| 49 | throw NotOnSurfaceException() << ShapeVector(&point); | 
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| 50 | } | 
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| 51 | return point; | 
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| 52 | } | 
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| 53 |  | 
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| 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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| 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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| 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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| 71 | std::vector<Vector> Sphere_impl::getHomogeneousPointsOnSurface(const size_t N) const | 
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| 72 | { | 
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| 73 | std::vector<Vector> PointsOnSurface; | 
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| 74 |  | 
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| 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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| 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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| 101 | for (size_t ka = 0; ka<N; ka++){ | 
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| 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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| 109 | length = length + dlength;*/ | 
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| 110 |  | 
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| 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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| 114 | return PointsOnSurface; | 
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| 115 | } | 
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| 116 |  | 
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| 117 |  | 
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| 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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| 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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| 131 | bool Cuboid_impl::isInside(const Vector &point){ | 
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| 132 | return (point[0]>=0 && point[0]<=1) && (point[1]>=0 && point[1]<=1) && (point[2]>=0 && point[2]<=1); | 
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| 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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| 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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| 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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| 148 | throw NotOnSurfaceException() << ShapeVector(&point); | 
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| 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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| 162 | } | 
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| 163 |  | 
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| 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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| 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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| 198 | /** | 
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| 199 | * \param N number of points on surface | 
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| 200 | */ | 
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| 201 | std::vector<Vector> Cuboid_impl::getHomogeneousPointsOnSurface(const size_t N) const { | 
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| 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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| 207 | Shape Cuboid(){ | 
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| 208 | Shape::impl_ptr impl = Shape::impl_ptr(new Cuboid_impl()); | 
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| 209 | return Shape(impl); | 
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| 210 | } | 
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| 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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