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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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#include "types/HarmonicBendType.hpp" |
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#include "types/HarmonicBondType.hpp" |
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namespace oopse { |
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/** |
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* @class UreyBradleyBendType |
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* |
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* @todo documentation |
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*/ |
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class UreyBradleyBendType : public HarmonicBendType { |
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/** |
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* @class UreyBradleyBendType |
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* |
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* @todo documentation |
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*/ |
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class UreyBradleyBendType : public HarmonicBendType { |
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public: |
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public: |
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|
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UreyBradleyBendType(double theta0, double ktheta, double s0, double kub) |
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: HarmonicBendType(theta0, ktheta), hbt_(HarmonicBondType(s0, kub)){ |
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} |
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UreyBradleyBendType(double theta0, double ktheta, double s0, double kub) |
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: HarmonicBendType(theta0, ktheta), hbt_(HarmonicBondType(s0, kub)){ |
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} |
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double getUBForceConstant() { |
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return hbt_.getForceConstant(); |
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} |
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double getUBForceConstant() { |
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return hbt_.getForceConstant(); |
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} |
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void setUBForceConstant(double kub) { |
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hbt_.setForceConstant(kub); |
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} |
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void setUBForceConstant(double kub) { |
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hbt_.setForceConstant(kub); |
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} |
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double getUBLength() { |
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return hbt_.getEquilibriumBondLength(); |
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} |
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double getUBLength() { |
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return hbt_.getEquilibriumBondLength(); |
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} |
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void setUBLength(double s) { |
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hbt_.setEquilibriumBondLength(s); |
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} |
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void setUBLength(double s) { |
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hbt_.setEquilibriumBondLength(s); |
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} |
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HarmonicBondType* getHarmonicBondType() { |
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return &hbt_; |
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} |
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HarmonicBondType* getHarmonicBondType() { |
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return &hbt_; |
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} |
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private: |
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private: |
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double k_; |
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HarmonicBondType hbt_; |
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}; |
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double k_; |
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HarmonicBondType hbt_; |
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}; |
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}//end namespace oopse |
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#endif //TYPES_UREYBRADLEYBENDTYPE_HPP |