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#include "math/Vector3.hpp" |
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#include "primitives/Atom.hpp" |
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#include "primitives/RigidBody.hpp" |
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+ |
#include "primitives/Bond.hpp" |
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#include "primitives/Bend.hpp" |
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#include "primitives/Torsion.hpp" |
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#include "primitives/CutoffGroup.hpp" |
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namespace oopse{ |
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* Sets the global index of this molecule. |
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* @param new global index to be set |
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*/ |
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< |
void setGlobalIndex(int index) { |
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> |
int setGlobalIndex(int index) { |
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return globalIndex_; |
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} |
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Vector3d getCom(); |
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/** Moves the center of this molecule */ |
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< |
void moveCom(const Vetor3d& delta); |
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> |
void moveCom(const Vector3d& delta); |
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/** Returns the velocity of center of mass of this molecule */ |
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Vector3d getComVel(); |
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/** Returns the total mass of this molecule */ |
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double getTotalMass(); |
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< |
friend std::ostream& operator <<(std::ostream& o, const Molecule& mol); |
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> |
friend std::ostream& operator <<(std::ostream& o, Molecule& mol); |
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private: |
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int localIndex_; |