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Vec3.h
#ifndef OPENMM_VEC3_H_
#define OPENMM_VEC3_H_
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit originating from *
* Simbios, the NIH National Center for Physics-Based Simulation of *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008-2013 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
* copy of this software and associated documentation files (the "Software"), *
* to deal in the Software without restriction, including without limitation *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
* and/or sell copies of the Software, and to permit persons to whom the *
* Software is furnished to do so, subject to the following conditions: *
* *
* The above copyright notice and this permission notice shall be included in *
* all copies or substantial portions of the Software. *
* *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
#include <cassert>
#include <iosfwd>
namespace OpenMM {
class Vec3 {
public:
Vec3() {
data[0] = data[1] = data[2] = 0.0;
}
Vec3(double x, double y, double z) {
data[0] = x;
data[1] = y;
data[2] = z;
}
double operator[](int index) const {
assert(index >= 0 && index < 3);
return data[index];
}
double& operator[](int index) {
assert(index >= 0 && index < 3);
return data[index];
}
bool operator==(const Vec3& rhs) const {
return (data[0] == rhs[0] && data[1] == rhs[1] && data[2] == rhs[2]);
}
bool operator!=(const Vec3& rhs) const {
return (data[0] != rhs[0] || data[1] != rhs[1] || data[2] != rhs[2]);
}
// Arithmetic operators
// unary plus
Vec3 operator+() const {
return Vec3(*this);
}
// plus
Vec3 operator+(const Vec3& rhs) const {
const Vec3& lhs = *this;
return Vec3(lhs[0] + rhs[0], lhs[1] + rhs[1], lhs[2] + rhs[2]);
}
Vec3& operator+=(const Vec3& rhs) {
data[0] += rhs[0];
data[1] += rhs[1];
data[2] += rhs[2];
return *this;
}
// unary minus
Vec3 operator-() const {
const Vec3& lhs = *this;
return Vec3(-lhs[0], -lhs[1], -lhs[2]);
}
// minus
Vec3 operator-(const Vec3& rhs) const {
const Vec3& lhs = *this;
return Vec3(lhs[0] - rhs[0], lhs[1] - rhs[1], lhs[2] - rhs[2]);
}
Vec3& operator-=(const Vec3& rhs) {
data[0] -= rhs[0];
data[1] -= rhs[1];
data[2] -= rhs[2];
return *this;
}
// scalar product
Vec3 operator*(double rhs) const {
const Vec3& lhs = *this;
return Vec3(lhs[0]*rhs, lhs[1]*rhs, lhs[2]*rhs);
}
Vec3& operator*=(double rhs) {
data[0] *= rhs;
data[1] *= rhs;
data[2] *= rhs;
return *this;
}
// scalar division
Vec3 operator/(double rhs) const {
const Vec3& lhs = *this;
double scale = 1.0/rhs;
return Vec3(lhs[0]*scale, lhs[1]*scale, lhs[2]*scale);
}
Vec3& operator/=(double rhs) {
double scale = 1.0/rhs;
data[0] *= scale;
data[1] *= scale;
data[2] *= scale;
return *this;
}
// dot product
double dot(const Vec3& rhs) const {
const Vec3& lhs = *this;
return lhs[0]*rhs[0] + lhs[1]*rhs[1] + lhs[2]*rhs[2];
}
// cross product
Vec3 cross(const Vec3& rhs) const {
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]);
}
private:
double data[3];
};
template <class CHAR, class TRAITS>
std::basic_ostream<CHAR,TRAITS>& operator<<(std::basic_ostream<CHAR,TRAITS>& o, const Vec3& v) {
o<<'['<<v[0]<<", "<<v[1]<<", "<<v[2]<<']';
return o;
}
} // namespace OpenMM
#endif /*OPENMM_VEC3_H_*/
OpenMM::Vec3::operator+
Vec3 operator+(const Vec3 &rhs) const
Definition: Vec3.h:86
OpenMM::Vec3::operator[]
double operator[](int index) const
Definition: Vec3.h:61
OpenMM::Vec3::Vec3
Vec3()
Create a Vec3 whose elements are all 0.
Definition: Vec3.h:50
OpenMM::Vec3::operator*
Vec3 operator*(double rhs) const
Definition: Vec3.h:118
OpenMM::Vec3::operator+
Vec3 operator+() const
Definition: Vec3.h:81
OpenMM::Vec3::Vec3
Vec3(double x, double y, double z)
Create a Vec3 with specified x, y, and z components.
Definition: Vec3.h:56
OpenMM::Vec3::operator-
Vec3 operator-(const Vec3 &rhs) const
Definition: Vec3.h:105
OpenMM::Vec3::operator+=
Vec3 & operator+=(const Vec3 &rhs)
Definition: Vec3.h:91
OpenMM::Vec3::operator*=
Vec3 & operator*=(double rhs)
Definition: Vec3.h:123
OpenMM::Vec3::operator/=
Vec3 & operator/=(double rhs)
Definition: Vec3.h:137
OpenMM::Vec3::operator==
bool operator==(const Vec3 &rhs) const
Definition: Vec3.h:70
OpenMM::Vec3::operator-
Vec3 operator-() const
Definition: Vec3.h:99
OpenMM::Vec3
This class represents a three component vector.
Definition: Vec3.h:45
OpenMM::Vec3::cross
Vec3 cross(const Vec3 &rhs) const
Definition: Vec3.h:152
OpenMM::Vec3::dot
double dot(const Vec3 &rhs) const
Definition: Vec3.h:146
OpenMM::Vec3::operator-=
Vec3 & operator-=(const Vec3 &rhs)
Definition: Vec3.h:110
OpenMM::Vec3::operator/
Vec3 operator/(double rhs) const
Definition: Vec3.h:131
OpenMM::Vec3::operator!=
bool operator!=(const Vec3 &rhs) const
Definition: Vec3.h:74
OpenMM
Definition: AndersenThermostat.h:40
OpenMM::Vec3::operator[]
double & operator[](int index)
Definition: Vec3.h:65