[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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