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root/OpenMD/trunk/src/math/Vector3.hpp

Comparing trunk/src/math/Vector3.hpp (file contents):
Revision 246 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

#	Line 1 | Line 1
1	<	/*
1	>	/*
2		* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3		*
4		* The University of Notre Dame grants you ("Licensee") a
#	Line 6 | Line 6
6		* redistribute this software in source and binary code form, provided
7		* that the following conditions are met:
8		*
9	<	* 1. Acknowledgement of the program authors must be made in any
10	<	*    publication of scientific results based in part on use of the
11	<	*    program.  An acceptable form of acknowledgement is citation of
12	<	*    the article in which the program was described (Matthew
13	<	*    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14	<	*    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15	<	*    Parallel Simulation Engine for Molecular Dynamics,"
16	<	*    J. Comput. Chem. 26, pp. 252-271 (2005))
17	<	*
18	<	* 2. Redistributions of source code must retain the above copyright
9	>	* 1. Redistributions of source code must retain the above copyright
10		*    notice, this list of conditions and the following disclaimer.
11		*
12	<	* 3. Redistributions in binary form must reproduce the above copyright
12	>	* 2. Redistributions in binary form must reproduce the above copyright
13		*    notice, this list of conditions and the following disclaimer in the
14		*    documentation and/or other materials provided with the
15		*    distribution.
#	Line 37 | Line 28
28		* arising out of the use of or inability to use software, even if the
29		* University of Notre Dame has been advised of the possibility of
30		* such damages.
31	+	*
32	+	* SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33	+	* research, please cite the appropriate papers when you publish your
34	+	* work.  Good starting points are:
35	+	*
36	+	* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37	+	* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	+	* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	+	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	+	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		/**
#	Line 54 | Line 55
55
56		#include "Vector.hpp"
57
58	<	namespace oopse {
58	>	namespace OpenMD {
59
60		/**
61		* @class Vector3 Vector3.hpp "math/Vector3.hpp"
#	Line 66 | Line 67 | namespace oopse {
67		public:
68		typedef Real ElemType;
69		typedef Real* ElemPoinerType;
69	–
70		Vector3() : Vector<Real, 3>(){}
71
72		/** Constructs and initializes a Vector3 from x, y, z coordinates */
73		inline Vector3( Real x, Real y, Real z) {
74	<	data_[0] = x;
75	<	data_[1] = y;
76	<	data_[2] = z;
74	>	this->data_[0] = x;
75	>	this->data_[1] = y;
76	>	this->data_[2] = z;
77		}
78
79		/** Constructs and initializes from an array*/
#	Line 91 | Line 91 | namespace oopse {
91		* Retunrs reference of the first element of Vector3.
92		* @return reference of the first element of Vector3
93		*/
94	<	inline Real& x() {  return data_[0];}
94	>	inline Real& x() {  return this->data_[0];}
95
96		/**
97		* Retunrs the first element of Vector3.
98		* @return  the first element of Vector3
99		*/
100	<	inline Real x() const {  return data_[0];}
100	>	inline Real x() const {  return this->data_[0];}
101
102		/**
103		* Retunrs reference of the second element of Vector3.
104		* @return reference of the second element of Vector3
105		*/
106	<	inline Real& y() {  return data_[1];}
106	>	inline Real& y() {  return this->data_[1];}
107
108		/**
109		* Retunrs  the second element of Vector3.
110		* @return c the second element of Vector3
111		*/
112	<	inline Real y() const {  return data_[1];}
112	>	inline Real y() const {  return this->data_[1];}
113
114		/**
115		* Retunrs reference of the third element of Vector3.
116		* @return reference of the third element of Vector3
117		*/
118	<	inline Real& z() {  return data_[2];}
118	>	inline Real& z() {  return this->data_[2];}
119
120		/**
121		* Retunrs  the third element of Vector3.
122		* @return f the third element of Vector3
123		*/
124	<	inline Real z() const {  return data_[2];}
124	>	inline Real z() const {  return this->data_[2];}
125
126		};
127
#	Line 133 | Line 133 | namespace oopse {
133		* @see #vector::dot
134		*/
135		template<typename Real>
136	<	Vector3<Real> cross( const Vector3<Real>& v1, const Vector3<Real>& v2 ) {
136	>	inline Vector3<Real> cross( const Vector3<Real>& v1, const Vector3<Real>& v2 ) {
137		Vector3<Real> result;
138
139		result.x() = v1.y() * v2.z() - v1.z() * v2.y();
#	Line 143 | Line 143 | namespace oopse {
143		return result;
144		}
145
146	+
147	+	/**
148	+	* Returns the linear indexing for integer vectors. Compare to
149	+	* Rapaport's VLinear
150	+	*
151	+	* @param p first vector
152	+	* @param s second vector
153	+	*/
154	+	template<typename Real>
155	+	inline Real Vlinear( const Vector3<Real>& p, const Vector3<Real>& s ) {
156	+	return (p.z() * s.y() + p.y()) * s.x() + p.x();
157	+	}
158	+
159		typedef Vector3<int> Vector3i;
160
161	<	typedef Vector3<double> Vector3d;
161	>	typedef Vector3<RealType> Vector3d;
162
163	<	const Vector3d V3Zero(0.0 , 0.0, 0.0);
164	<	const Vector3d V3X( 1.0, 0.0, 0.0 ) ;
165	<	const Vector3d V3Y( 0.0, 1.0, 0.0 ) ;
166	<	const Vector3d V3Z ( 0.0, 0.0, 1.0 ) ;
167	<
163	>	const Vector3d V3Zero(0.0 , 0.0, 0.0);
164	>	const Vector3d V3X( 1.0, 0.0, 0.0 ) ;
165	>	const Vector3d V3Y( 0.0, 1.0, 0.0 ) ;
166	>	const Vector3d V3Z ( 0.0, 0.0, 1.0 ) ;
167	>
168		}
169
170		#endif

Comparing trunk/src/math/Vector3.hpp (property svn:keywords):
Revision 246 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

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