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namespace oopse { |
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class MoleculeCreator { |
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public: |
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virtual Molecule* createMolecule(ForceField* ff, MoleculeStamp *molStamp, |
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int stampId, int globalIndex); |
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/** |
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* @class MoleculeCreator MoleculeCreator.hpp "brains/MoleculeCreator.hpp" |
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* @brief |
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*/ |
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class MoleculeCreator { |
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public: |
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virtual Molecule* createMolecule(ForceField* ff, MoleculeStamp *molStamp, |
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int stampId, int globalIndex); |
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protected: |
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virtual Atom* createAtom(ForceField* ff, Molecule* mol, AtomStamp* stamp); |
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virtual RigidBody* createRigidBody(MoleculeStamp *molStamp, Molecule* mol, |
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RigidBodyStamp* stamp); |
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virtual Bond* createBond(ForceField* ff, Molecule* mol, BondStamp* stamp); |
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virtual Bend* createBend(ForceField* ff, Molecule* mol, BendStamp* stamp); |
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virtual Torsion* createTorsion(ForceField* ff, Molecule* mol, TorsionStamp* stamp); |
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virtual CutoffGroup* createCutoffGroup(Molecule* mol, CutoffGroupStamp* stamp); |
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//virtual Constraint* createConstraint(); |
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protected: |
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|
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/** Create an atom by its stamp */ |
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virtual Atom* createAtom(ForceField* ff, Molecule* mol, AtomStamp* stamp); |
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}; |
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virtual RigidBody* createRigidBody(MoleculeStamp *molStamp, Molecule* mol, |
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RigidBodyStamp* stamp); |
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virtual Bond* createBond(ForceField* ff, Molecule* mol, BondStamp* stamp); |
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virtual Bend* createBend(ForceField* ff, Molecule* mol, BendStamp* stamp); |
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virtual Torsion* createTorsion(ForceField* ff, Molecule* mol, TorsionStamp* stamp); |
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virtual CutoffGroup* createCutoffGroup(Molecule* mol, CutoffGroupStamp* stamp); |
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virtual CutoffGroup* createCutoffGroup(Molecule * mol, Atom* atom); |
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//virtual Constraint* createConstraint(); |
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}; |
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} |
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#endif //BRAINS_MOLECULECREATOR_HPP |