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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 "primitives/UreyBradleyBend.hpp" |
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namespace oopse { |
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UreyBradleyBend::UreyBradleyBend(Atom* atom1, Atom* atom2, Atom* atom3, UreyBradleyBendType* bt) |
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: Bend(atom1, atom2, atom3, bt), bond_(NULL){ |
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bond_ = new Bond(atom1, atom3, bt->getHarmonicBondType()); |
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} |
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UreyBradleyBend::UreyBradleyBend(Atom* atom1, Atom* atom2, Atom* atom3, UreyBradleyBendType* bt) |
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: Bend(atom1, atom2, atom3, bt), bond_(NULL){ |
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bond_ = new Bond(atom1, atom3, bt->getHarmonicBondType()); |
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} |
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UreyBradleyBend::~UreyBradleyBend() { |
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UreyBradleyBend::~UreyBradleyBend() { |
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delete bond_; |
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} |
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} |
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void UreyBradleyBend::calcForce() { |
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Bend::calcForce(); |
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void UreyBradleyBend::calcForce(double& angle) { |
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Bend::calcForce(angle); |
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bond_->calcForce(); |
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} |
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} |
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} //end namespace oopse |