--- trunk/OOPSE-4/src/primitives/Bond.hpp 2005/04/13 18:41:17 2187 +++ trunk/OOPSE-4/src/primitives/Bond.hpp 2005/04/15 22:04:00 2204 @@ -1,4 +1,4 @@ - /* +/* * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. * * The University of Notre Dame grants you ("Licensee") a @@ -55,49 +55,49 @@ class Bond { namespace oopse { -class Bond { - public: - Bond(Atom* atom1, Atom* atom2, BondType* bt) : atom1_(atom1), atom2_(atom2), bondType_(bt) {} - virtual ~Bond() {} - void calcForce() { - double len; - double dvdr; - Vector3d r12; - Vector3d force; + class Bond { + public: + Bond(Atom* atom1, Atom* atom2, BondType* bt) : atom1_(atom1), atom2_(atom2), bondType_(bt) {} + virtual ~Bond() {} + void calcForce() { + double len; + double dvdr; + Vector3d r12; + Vector3d force; - r12 = atom2_->getPos() - atom1_->getPos(); - len = r12.length(); - bondType_->calcForce(len, potential_, dvdr); + r12 = atom2_->getPos() - atom1_->getPos(); + len = r12.length(); + bondType_->calcForce(len, potential_, dvdr); - force = r12 * (-dvdr / len); + force = r12 * (-dvdr / len); - atom1_->addFrc(-force); - atom2_->addFrc(force); - } + atom1_->addFrc(-force); + atom2_->addFrc(force); + } - double getPotential() { - return potential_; - } + double getPotential() { + return potential_; + } - Atom* getAtomA() { - return atom1_; - } + Atom* getAtomA() { + return atom1_; + } - Atom* getAtomB() { - return atom2_; - } + Atom* getAtomB() { + return atom2_; + } - BondType* getBondType() { - return bondType_; - } + BondType* getBondType() { + return bondType_; + } - private: - double potential_; - Atom* atom1_; - Atom* atom2_; - BondType* bondType_; /**< bond type */ + private: + double potential_; + Atom* atom1_; + Atom* atom2_; + BondType* bondType_; /**< bond type */ -}; + };