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class Bend { |
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public: |
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< |
Bend(Atom* atom1, Atom* atom2, Atom* atom3, BendType* bt); |
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> |
Bend(Atom* atom1, Atom* atom2, Atom* atom3, BendType* bt) |
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> |
: atom1_(atom1), atom2_(atom2), atom3_(atom3), bendType_(bt) {} |
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void calcForce(); |
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double getPotential() { |
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return potential_; |
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} |
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+ |
Atom* getAtomA() { |
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return atom1_; |
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} |
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Atom* getAtomB() { |
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return atom2_; |
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} |
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Atom* getAtomC() { |
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return atom3_; |
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} |
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BendType * getBendType() { |
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return bendType_; |
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} |
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protected: |
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– |
//virtual BendType* getBendType() { |
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– |
// return bendType_; |
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//} |
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BendType* bendType_; /**< bend type */ |
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Atom* atom1_; |