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8efb4bd | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 | #ifndef _Vector3_h
#define _Vector3_h
#include <stdio.h>
#include <iostream>
#include <math.h>
#include <array>
/*
CLASS
Vector3
Defines a 3D vector class with operators.
KEYWORDS
linear, algebra, vector, angle, distance, norm, real
AUTHORS
Meir Fuchs. (meirfux@math.tau.ac.il)
Copyright: SAMBA group, Tel-Aviv Univ. Israel, 1997.
CHANGES LOG
<UL>
<LI> 23/08/2004 - Oranit Dror:<BR>
Adding the '==' operator and the 'getPerpendicularVector' and 'getUnitVector' methods
</LI>
</UL>
GOALS
Since most of the work on protein structure is done in 3D space, a fast,
well designed 3D vector class was in place. Knowing the dimension is 3
allows for a fast, loopless implemetation of Vector3 and Matrix3 to be
written.
USAGE
Many 3D vector operations are supplied including vector addition and
subtraction, dot-product mult., multiplication by scalar, distance and
angular operators.<P>
A new Vector3 may be constructed using 3 floats or an array of 3 floats.
EXAMPLE
Vector3 v(1.0, 2.0, 3.0);
float x[3];
Vector3 v(x);
END
Coordinates may be accessed using the x(int) method which returns the
vector's given coordinate (1..3) or using the [] operator (0..2).
EXAMPLE
if (v[0] == v.x(1)) cout << "OK\n";
END
Addition, subtraction, multiplication and division by scalar, dot-product
distance, angle.
EXAMPLE
w = u+v; // addition
w-= v; // in-place subtraction w==u
if ((w|u) == 0) cout << "OK\n"; // distance operator |
if (w^u == 0) cout << "OK\n"; // angle operator ^
w=2*w; // multiplicatio by scalar
float f=w*v; // dot-product;
END
*/
class Vector3
{
public:
// GROUP: define real type.
//// Defines the type with which coordinates are defined. Changing this to
// double will casue the Vector3 and Matrix3 classes to work with double
// precision coordinates. float was chosen for considerations of speed.
// double precision is rarely needed since strctural data is inexact.
typedef float real;
// GROUP: Constructors.
//// Initialize to the 0 vector.
Vector3() {
c[0] = c[1] = c[2] = 0;
}
//// Initialize using 3 coordinates x,y,z.
Vector3(const real& nx, const real& ny, const real& nz) {
c[0]=nx;
c[1]=ny;
c[2]=nz;
}
//// initialize using 3 coordinates in array.
Vector3(const real x[3]) {
c[0] = x[0];
c[1] = x[1];
c[2] = x[2];
}
//// initialize using 3 double precision coordinates in array.
Vector3(const double x[3]) {
c[0] = (real)x[0];
c[1] = (real)x[1];
c[2] = (real)x[2];
}
// GROUP: Inspection.
//// Returns position (redundant function)
const Vector3& position() const { return *this; }
//// return the x, y or z coordinates.
real x() const { return c[0]; }
real y() const { return c[1]; }
real z() const { return c[2]; }
//// Returns x=x(1), y=x(2) or z=x(3) coordinate. If other values are given
// result are unexpected.
real x(const unsigned short coord) const {
return c[coord-1];
}
////
// Returns true if the vector is the zero vector <br>
// Author: Oranit Dror (oranit@tau.ac.il)
bool isZero() const {
return ((c[0] == 0) && (c[1] == 0) && (c[2] == 0));
}
// Group Update
void updateX(const real& x) {
c[0]=x;
}
void updateY(const real& y) {
c[1]=y;
}
void updateZ(const real& z) {
c[2]=z;
}
void update(const Vector3& v) {
c[0]=v[0];
c[1]=v[1];
c[2]=v[2];
}
//// Return Vector3's distance from origin.
real norm() const {
return sqrt(norm2());
}
//// Return Vector3's squared distance ffrom origin.
real norm2() const {
return c[0]*c[0]+c[1]*c[1]+c[2]*c[2];
}
//// Returns Vector3's distance from Vector3 p.
real dist(const Vector3& p) const {
return sqrt(dist2(p));
}
//// Returns Vector3's distance squared from Vector3 p.
real dist2(const Vector3& p) const{
real d=c[0]-p.c[0];
real s=d*d;
d=c[1]-p.c[1];
s+=d*d;
d=c[2]-p.c[2];
return s+d*d;
}
//// Treats vector like a real array. Acceptable indices 0, 1, 2. Other
// indices may cause run-time errors.
const real& operator[](const unsigned short coord) const{
return c[coord];
}
//// Access coordinates
real& operator[](const unsigned short coord){
return c[coord];
}
////
// Returns a perpendicular vector
// (A zero vector is returned in case of a zero vector). <br>
// Author: Oranit Dror (oranit@tau.ac.il)
Vector3 getPerpendicularVector() const {
if (x() != 0) {
return Vector3((-y()-z())/x(),1,1);
} else if (y() != 0) {
return Vector3(1,(-x()-z())/y(),1);
} else if (z() != 0) {
return Vector3(1,1,(-x()-y())/z());
} else {
return Vector3(0,0,0);
}
}
////
// Returns a unit vector in the same direction
// (A zero vector is returned in case of a zero vector). <br>
// Author: Oranit Dror (oranit@tau.ac.il)
Vector3 getUnitVector() const {
return ((isZero()) ? *this : (*this/norm()));
}
// GROUP: Operators.
////
// Returns true if the two vectors have the same coordinates
// Author: Oranit Dror (oranit@tau.ac.il)
bool operator==(const Vector3& v) const {
return ((x() == v.x()) && (y() == v.y()) && (z() == v.z()));
}
//// Returns Vector3 addition of two Vector3s.
friend Vector3 operator+(const Vector3& p1, const Vector3& p2) {
return Vector3(p1.c[0]+p2.c[0], p1.c[1]+p2.c[1], p1.c[2]+p2.c[2]);
}
//// Returns Vector3 subtraction of two Vector3s.
friend Vector3 operator-(const Vector3& p1, const Vector3& p2) {
return Vector3(p1.c[0]-p2.c[0], p1.c[1]-p2.c[1], p1.c[2]-p2.c[2]);
}
//// Returns Vector3 negative.
friend Vector3 operator-(const Vector3& p) {
return Vector3(-p.c[0], -p.c[1], -p.c[2]);
}
//// Returns dot product of two Vector3s.
friend real operator*(const Vector3& p1, const Vector3& p2) {
return p1.c[0]*p2.c[0]+p1.c[1]*p2.c[1]+p1.c[2]*p2.c[2];
}
//// Returns vector multiplied by scalar m.
friend Vector3 operator*(const Vector3& p, const real& m) {
return Vector3(p.c[0]*m, p.c[1]*m, p.c[2]*m);
}
//// Returns vector multiplied by scalar m.
friend Vector3 operator*(const real& m, const Vector3& p) {
return Vector3(p.c[0]*m, p.c[1]*m, p.c[2]*m);
}
//// Returns vector divided by scalar m.
friend Vector3 operator/(const Vector3& p, const real& m) {
return Vector3(p.c[0]/m, p.c[1]/m, p.c[2]/m);
}
//// Returns vector that is vertical to both vectors.
friend Vector3 operator&(const Vector3& p1, const Vector3& p2) {
return Vector3(p1.c[1]*p2.c[2]-p1.c[2]*p2.c[1],
p1.c[2]*p2.c[0]-p1.c[0]*p2.c[2],
p1.c[0]*p2.c[1]-p1.c[1]*p2.c[0]);
}
//// Returns distance between 2 Vector3s (similar to dist).
friend real operator|(const Vector3& p1, const Vector3& p2) {
return p1.dist(p2);
}
//// Returns angle between p1 and p2 in radians.
friend real operator^(const Vector3& p1, const Vector3& p2) {
float angle=p1*p2/(p1.norm()*p2.norm());
if(angle<-1)
angle=-1;
else
if(angle>1)
angle=1;
return acos(angle);
}
//// Vector3 addition of another Vector3's coordinates.
Vector3& operator+=(const Vector3& p) {
c[0]+=p.c[0]; c[1]+=p.c[1]; c[2]+=p.c[2];
return *this;
}
//// Vector3 subtraction of another Vector3's coordinates.
Vector3& operator-=(const Vector3& p) {
c[0]-=p.c[0]; c[1]-=p.c[1]; c[2]-=p.c[2];
return *this;
}
Vector3& operator+=(const real& m) {
c[0]+=m; c[1]+=m; c[2]+=m;
return *this;
}
Vector3& operator-=(const real& m) {
c[0]-=m; c[1]-=m; c[2]-=m;
return *this;
}
//// Multiplies coordinates by scalar m.
Vector3& operator*=(const real& m) {
c[0]*=m; c[1]*=m; c[2]*=m;
return *this;
}
//// Divides coordinates by scalar m.
Vector3& operator/=(const real& m) {
c[0]/=m; c[1]/=m; c[2]/=m;
return *this;
}
//// Outputs coordinates delimited by single space.
friend std::ostream& operator<<(std::ostream& s, const Vector3& v) {
return s << v.c[0] << ' ' << v.c[1] << ' ' << v.c[2];
}
//// Inputs coordinates delimited by single space.
friend std::istream& operator>>(std::istream& s, Vector3& v) {
return s >> v.c[0] >> v.c[1] >> v.c[2];
}
////
// Outputs the vector's coordinates delimited by a single space. <br>
// Author: Oranit Dror (oranit@tau.ac.il)
void output(FILE* outputFile) const {
fprintf(outputFile, "%f %f %f", c[0], c[1], c[2]);
}
private:
std::array<real, 3> c;
};
#endif
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