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 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 // Arithmetic operators 00071 00072 // unary plus 00073 Vec3 operator+() const { 00074 return Vec3(*this); 00075 } 00076 00077 // plus 00078 Vec3 operator+(const Vec3& rhs) const { 00079 const Vec3& lhs = *this; 00080 return Vec3(lhs[0] + rhs[0], lhs[1] + rhs[1], lhs[2] + rhs[2]); 00081 } 00082 00083 // unary minus 00084 Vec3 operator-() const { 00085 const Vec3& lhs = *this; 00086 return Vec3(-lhs[0], -lhs[1], -lhs[2]); 00087 } 00088 00089 // minus 00090 Vec3 operator-(const Vec3& rhs) const { 00091 const Vec3& lhs = *this; 00092 return Vec3(lhs[0] - rhs[0], lhs[1] - rhs[1], lhs[2] - rhs[2]); 00093 } 00094 00095 // dot product 00096 double dot(const Vec3& rhs) const { 00097 const Vec3& lhs = *this; 00098 return lhs[0]*rhs[0] + lhs[1]*rhs[1] + lhs[2]*rhs[2]; 00099 } 00100 00101 private: 00102 double data[3]; 00103 }; 00104 00105 template <class CHAR, class TRAITS> 00106 std::basic_ostream<CHAR,TRAITS>& operator<<(std::basic_ostream<CHAR,TRAITS>& o, const Vec3& v) { 00107 o<<'['<<v[0]<<", "<<v[1]<<", "<<v[2]<<']'; 00108 return o; 00109 } 00110 00111 } // namespace OpenMM 00112 00113 #endif /*OPENMM_VEC3_H_*/