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/* |
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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* redistribute this software in source and binary code form, provided |
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* that the following conditions are met: |
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* |
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* 1. Acknowledgement of the program authors must be made in any |
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* publication of scientific results based in part on use of the |
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* program. An acceptable form of acknowledgement is citation of |
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* the article in which the program was described (Matthew |
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* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
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* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
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* Parallel Simulation Engine for Molecular Dynamics," |
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* J. Comput. Chem. 26, pp. 252-271 (2005)) |
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* |
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* 2. Redistributions of source code must retain the above copyright |
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* 1. Redistributions of source code must retain the above copyright |
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* notice, this list of conditions and the following disclaimer. |
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* |
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* 3. Redistributions in binary form must reproduce the above copyright |
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* 2. Redistributions in binary form must reproduce the above copyright |
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* notice, this list of conditions and the following disclaimer in the |
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* documentation and/or other materials provided with the |
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* distribution. |
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* arising out of the use of or inability to use software, even if the |
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* University of Notre Dame has been advised of the possibility of |
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* such damages. |
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* |
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* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your |
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* research, please cite the appropriate papers when you publish your |
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* work. Good starting points are: |
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* |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
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* [4] Vardeman & Gezelter, in progress (2009). |
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*/ |
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/** |
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#include "Vector.hpp" |
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namespace oopse { |
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namespace OpenMD { |
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/** |
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* @class Vector3 Vector3.hpp "math/Vector3.hpp" |
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public: |
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typedef Real ElemType; |
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typedef Real* ElemPoinerType; |
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– |
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Vector3() : Vector<Real, 3>(){} |
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/** Constructs and initializes a Vector3 from x, y, z coordinates */ |
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inline Vector3( Real x, Real y, Real z) { |
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data_[0] = x; |
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data_[1] = y; |
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data_[2] = z; |
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this->data_[0] = x; |
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this->data_[1] = y; |
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this->data_[2] = z; |
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} |
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/** Constructs and initializes from an array*/ |
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* Retunrs reference of the first element of Vector3. |
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* @return reference of the first element of Vector3 |
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*/ |
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inline Real& x() { return data_[0];} |
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inline Real& x() { return this->data_[0];} |
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/** |
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* Retunrs the first element of Vector3. |
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* @return the first element of Vector3 |
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*/ |
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inline Real x() const { return data_[0];} |
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inline Real x() const { return this->data_[0];} |
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/** |
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* Retunrs reference of the second element of Vector3. |
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* @return reference of the second element of Vector3 |
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*/ |
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inline Real& y() { return data_[1];} |
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inline Real& y() { return this->data_[1];} |
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/** |
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* Retunrs the second element of Vector3. |
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* @return c the second element of Vector3 |
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*/ |
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inline Real y() const { return data_[1];} |
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inline Real y() const { return this->data_[1];} |
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/** |
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* Retunrs reference of the third element of Vector3. |
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* @return reference of the third element of Vector3 |
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*/ |
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inline Real& z() { return data_[2];} |
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inline Real& z() { return this->data_[2];} |
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/** |
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* Retunrs the third element of Vector3. |
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* @return f the third element of Vector3 |
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*/ |
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inline Real z() const { return data_[2];} |
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inline Real z() const { return this->data_[2];} |
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}; |
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typedef Vector3<int> Vector3i; |
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typedef Vector3<double> Vector3d; |
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typedef Vector3<RealType> Vector3d; |
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const Vector3d V3Zero(0.0 , 0.0, 0.0); |
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const Vector3d V3X( 1.0, 0.0, 0.0 ) ; |
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const Vector3d V3Y( 0.0, 1.0, 0.0 ) ; |
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const Vector3d V3Z ( 0.0, 0.0, 1.0 ) ; |
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const Vector3d V3Zero(0.0 , 0.0, 0.0); |
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const Vector3d V3X( 1.0, 0.0, 0.0 ) ; |
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const Vector3d V3Y( 0.0, 1.0, 0.0 ) ; |
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const Vector3d V3Z ( 0.0, 0.0, 1.0 ) ; |
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} |
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