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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/AtomType.hpp" |
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namespace oopse{ |
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class Atom : public StuntDouble { |
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public: |
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Atom(AtomType* at); |
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class Atom : public StuntDouble { |
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public: |
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Atom(AtomType* at); |
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virtual std::string getType() {return atomType_->getName();} |
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virtual std::string getType() {return atomType_->getName();} |
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/** |
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* Returns the inertia tensor of this stuntdouble |
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* @return the inertia tensor of this stuntdouble |
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*/ |
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virtual Mat3x3d getI(); |
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/** |
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* Returns the inertia tensor of this stuntdouble |
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* @return the inertia tensor of this stuntdouble |
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*/ |
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virtual Mat3x3d getI(); |
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/** |
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* Returns the gradient of this stuntdouble |
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* @return the inertia tensor of this stuntdouble |
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*/ |
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virtual std::vector<double> getGrad(); |
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/** |
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* Returns the gradient of this stuntdouble |
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* @return the inertia tensor of this stuntdouble |
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*/ |
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virtual std::vector<double> getGrad(); |
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virtual void accept(BaseVisitor* v); |
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virtual void accept(BaseVisitor* v); |
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/** |
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* Returns the AtomType of this Atom. |
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* @return the atom type of this atom |
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*/ |
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AtomType* getAtomType() { |
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return atomType_; |
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} |
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/** |
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* Returns the AtomType of this Atom. |
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* @return the atom type of this atom |
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*/ |
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AtomType* getAtomType() { |
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return atomType_; |
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} |
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//forward functions of AtomType class |
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bool isCharge() { |
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return atomType_->isCharge(); |
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} |
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//forward functions of AtomType class |
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bool isCharge() { |
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return atomType_->isCharge(); |
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} |
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bool isDirectional() { |
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return atomType_->isDirectional(); |
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} |
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bool isDirectional() { |
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return atomType_->isDirectional(); |
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} |
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bool isDipole() { |
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return atomType_->isDipole(); |
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} |
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bool isDipole() { |
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return atomType_->isDipole(); |
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} |
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bool isQudrapole() { |
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return atomType_->isQuadrupole(); |
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} |
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bool isQudrapole() { |
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return atomType_->isQuadrupole(); |
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} |
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bool isMultipole() { |
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return atomType_->isMultipole(); |
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} |
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bool isMultipole() { |
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return atomType_->isMultipole(); |
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} |
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bool isGayBerne() { |
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return atomType_->isGayBerne(); |
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} |
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bool isGayBerne() { |
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return atomType_->isGayBerne(); |
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} |
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bool isSticky() { |
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return atomType_->isSticky(); |
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} |
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bool isSticky() { |
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return atomType_->isSticky(); |
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} |
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bool isShape() { |
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return atomType_->isShape(); |
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} |
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bool isShape() { |
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return atomType_->isShape(); |
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} |
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int getIdent() { |
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return atomType_->getIdent(); |
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} |
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int getIdent() { |
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return atomType_->getIdent(); |
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} |
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protected: |
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AtomType* atomType_; |
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}; |
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protected: |
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AtomType* atomType_; |
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}; |
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}//namepace oopse |
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