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class Atom : public StuntDouble { |
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public: |
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Atom(AtomType* at); |
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> |
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virtual std::string getType() {return atomType_->getName();} |
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> |
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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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> |
|
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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<RealType> getGrad(); |
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> |
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virtual void accept(BaseVisitor* v); |
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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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AtomType* getAtomType() { |
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return atomType_; |
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} |
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< |
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83 |
> |
|
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//forward functions of AtomType class |
85 |
< |
bool isCharge() { |
85 |
> |
bool isCharge() { |
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return atomType_->isCharge(); |
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} |
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< |
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89 |
< |
bool isDirectional() { |
88 |
> |
|
89 |
> |
bool isDirectional() { |
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return atomType_->isDirectional(); |
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} |
92 |
< |
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93 |
< |
bool isDipole() { |
92 |
> |
|
93 |
> |
bool isDipole() { |
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return atomType_->isDipole(); |
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} |
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|
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< |
bool isQudrapole() { |
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> |
bool isQudrapole() { |
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return atomType_->isQuadrupole(); |
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} |
100 |
< |
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101 |
< |
bool isMultipole() { |
100 |
> |
|
101 |
> |
bool isMultipole() { |
102 |
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return atomType_->isMultipole(); |
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} |
104 |
< |
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105 |
< |
bool isGayBerne() { |
104 |
> |
|
105 |
> |
bool isGayBerne() { |
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return atomType_->isGayBerne(); |
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} |
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|
109 |
< |
bool isSticky() { |
109 |
> |
bool isSticky() { |
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return atomType_->isSticky(); |
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} |
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|
113 |
< |
bool isShape() { |
113 |
> |
bool isShape() { |
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return atomType_->isShape(); |
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} |
116 |
< |
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116 |
> |
|
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int getIdent() { |
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return atomType_->getIdent(); |
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} |
120 |
< |
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120 |
> |
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protected: |
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AtomType* atomType_; |
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}; |
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< |
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> |
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}//namepace oopse |
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#endif //PRIMITIVES_ATOM_HPP |