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#ifndef PRIMITIVES_BEND_HPP |
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#define PRIMITIVES_BEND_HPP |
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< |
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> |
#include "primitives/Atom.hpp" |
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> |
#include "types/BendType.hpp" |
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namespace oopse { |
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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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+ |
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void calcForce(); |
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double getPotential() { |
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return potential; |
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return potential_; |
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} |
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private: |
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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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> |
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BendType * getBendType() { |
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return bendType_; |
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} |
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> |
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protected: |
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> |
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BendType* bendType_; /**< bend type */ |
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Atom* atom1; |
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Atom* atom2; |
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Atom* atom3; |
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< |
double potential; |
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Atom* atom1_; |
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Atom* atom2_; |
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Atom* atom3_; |
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double potential_; |
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}; |
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