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# Vec3.h

    00001 #ifndef OPENMM_VEC3_H_
    00002 #define OPENMM_VEC3_H_
    00003
    00004 /* -------------------------------------------------------------------------- *
    00005  *                                   OpenMM                                   *
    00006  * -------------------------------------------------------------------------- *
    00007  * This is part of the OpenMM molecular simulation toolkit originating from   *
    00008  * Simbios, the NIH National Center for Physics-Based Simulation of           *
    00009  * Biological Structures at Stanford, funded under the NIH Roadmap for        *
    00010  * Medical Research, grant U54 GM072970. See https://simtk.org.               *
    00011  *                                                                            *
    00012  * Portions copyright (c) 2008-2013 Stanford University and the Authors.      *
    00013  * Authors: Peter Eastman                                                     *
    00014  * Contributors:                                                              *
    00015  *                                                                            *
    00016  * Permission is hereby granted, free of charge, to any person obtaining a    *
    00017  * copy of this software and associated documentation files (the "Software"), *
    00018  * to deal in the Software without restriction, including without limitation  *
    00019  * the rights to use, copy, modify, merge, publish, distribute, sublicense,   *
    00020  * and/or sell copies of the Software, and to permit persons to whom the      *
    00021  * Software is furnished to do so, subject to the following conditions:       *
    00022  *                                                                            *
    00023  * The above copyright notice and this permission notice shall be included in *
    00024  * all copies or substantial portions of the Software.                        *
    00025  *                                                                            *
    00026  * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
    00027  * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,   *
    00028  * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL    *
    00029  * THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM,    *
    00030  * DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR      *
    00031  * OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE  *
    00032  * USE OR OTHER DEALINGS IN THE SOFTWARE.                                     *
    00033  * -------------------------------------------------------------------------- */
    00034
    00035 #include <cassert>
    00036 #include <iosfwd>
    00037
    00038 namespace OpenMM {
    00039
    00045 class Vec3 {
    00046 public:
    00050     Vec3() {
    00051         data[0] = data[1] = data[2] = 0.0;
    00052     }
    00056     Vec3(double x, double y, double z) {
    00057         data[0] = x;
    00058         data[1] = y;
    00059         data[2] = z;
    00060     }
    00061     double operator[](int index) const {
    00062         assert(index >= 0 && index < 3);
    00063         return data[index];
    00064     }
    00065     double& operator[](int index) {
    00066         assert(index >= 0 && index < 3);
    00067         return data[index];
    00068     }
    00069
    00070     bool operator==(const Vec3& rhs) const {
    00071         return (data[0] == rhs[0] && data[1] == rhs[1] && data[2] == rhs[2]);
    00072     }
    00073
    00074     bool operator!=(const Vec3& rhs) const {
    00075         return (data[0] != rhs[0] || data[1] != rhs[1] || data[2] != rhs[2]);
    00076     }
    00077
    00078     // Arithmetic operators
    00079
    00080     // unary plus
    00081     Vec3 operator+() const {
    00082         return Vec3(*this);
    00083     }
    00084
    00085     // plus
    00086     Vec3 operator+(const Vec3& rhs) const {
    00087         const Vec3& lhs = *this;
    00088         return Vec3(lhs[0] + rhs[0], lhs[1] + rhs[1], lhs[2] + rhs[2]);
    00089     }
    00090
    00091     Vec3& operator+=(const Vec3& rhs) {
    00092         data[0] += rhs[0];
    00093         data[1] += rhs[1];
    00094         data[2] += rhs[2];
    00095         return *this;
    00096     }
    00097
    00098     // unary minus
    00099     Vec3 operator-() const {
    00100         const Vec3& lhs = *this;
    00101         return Vec3(-lhs[0], -lhs[1], -lhs[2]);
    00102     }
    00103
    00104     // minus
    00105     Vec3 operator-(const Vec3& rhs) const {
    00106         const Vec3& lhs = *this;
    00107         return Vec3(lhs[0] - rhs[0], lhs[1] - rhs[1], lhs[2] - rhs[2]);
    00108     }
    00109
    00110     Vec3& operator-=(const Vec3& rhs) {
    00111         data[0] -= rhs[0];
    00112         data[1] -= rhs[1];
    00113         data[2] -= rhs[2];
    00114         return *this;
    00115     }
    00116
    00117     // scalar product
    00118     Vec3 operator*(double rhs) const {
    00119         const Vec3& lhs = *this;
    00120         return Vec3(lhs[0]*rhs, lhs[1]*rhs, lhs[2]*rhs);
    00121     }
    00122
    00123     Vec3& operator*=(double rhs) {
    00124         data[0] *= rhs;
    00125         data[1] *= rhs;
    00126         data[2] *= rhs;
    00127         return *this;
    00128     }
    00129
    00130     // scalar division
    00131     Vec3 operator/(double rhs) const {
    00132         const Vec3& lhs = *this;
    00133         double scale = 1.0/rhs;
    00134         return Vec3(lhs[0]*scale, lhs[1]*scale, lhs[2]*scale);
    00135     }
    00136
    00137     Vec3& operator/=(double rhs) {
    00138         double scale = 1.0/rhs;
    00139         data[0] *= scale;
    00140         data[1] *= scale;
    00141         data[2] *= scale;
    00142         return *this;
    00143     }
    00144
    00145     // dot product
    00146     double dot(const Vec3& rhs) const {
    00147         const Vec3& lhs = *this;
    00148         return lhs[0]*rhs[0] + lhs[1]*rhs[1] + lhs[2]*rhs[2];
    00149     }
    00150
    00151     // cross product
    00152     Vec3 cross(const Vec3& rhs) const {
    00153         return Vec3(data[1]*rhs[2]-data[2]*rhs[1], data[2]*rhs[0]-data[0]*rhs[2], data[0]*rhs[1]-data[1]*rhs[0]);
    00154     }
    00155
    00156 private:
    00157     double data[3];
    00158 };
    00159
    00160 template <class CHAR, class TRAITS>
    00161 std::basic_ostream<CHAR,TRAITS>& operator<<(std::basic_ostream<CHAR,TRAITS>& o, const Vec3& v) {
    00162     o<<'['<<v[0]<<", "<<v[1]<<", "<<v[2]<<']';
    00163     return o;
    00164 }
    00165
    00166 } // namespace OpenMM
    00167
    00168 #endif /*OPENMM_VEC3_H_*/