Vec3.h 3.39 KB
Newer Older
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
#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 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>
36
#include <iosfwd>
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

namespace OpenMM {

/**
 * This class represents a three component vector.  It is used for storing positions,
 * velocities, and forces.
 */

class Vec3 {
public:
    /**
     * Create a Vec3 whose elements are all 0.
     */
    Vec3() {
        data[0] = data[1] = data[2] = 0.0;
    }
    /**
     * Create a Vec3 with specified x, y, and z components.
     */
    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];
    }
private:
    double data[3];
};

73
74
75
76
77
78
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;
}

79
80
81
} // namespace OpenMM

#endif /*OPENMM_VEC3_H_*/