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root/group/branches/new_design/OOPSE-3.0/src/brains/MoleculeCreator.hpp
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Comparing branches/new_design/OOPSE-3.0/src/brains/MoleculeCreator.hpp (file contents):
Revision 1733 by tim, Fri Nov 5 23:38:27 2004 UTC vs.
Revision 1734 by tim, Fri Nov 12 07:05:43 2004 UTC

# Line 44 | Line 44 | namespace oopse {
44  
45   namespace oopse {
46  
47 <    class MoleculeCreator {
48 <        public:
49 <            virtual Molecule* createMolecule(ForceField* ff, MoleculeStamp *molStamp,
50 <                                                                          int stampId, int globalIndex);
47 > /**
48 > * @class MoleculeCreator MoleculeCreator.hpp "brains/MoleculeCreator.hpp"
49 > * @brief
50 > */
51 > class MoleculeCreator {
52 >    public:
53 >        virtual Molecule* createMolecule(ForceField* ff, MoleculeStamp *molStamp,
54 >                                                                      int stampId, int globalIndex);
55  
56 <        protected:
57 <            virtual Atom* createAtom(ForceField* ff, Molecule* mol, AtomStamp* stamp);
58 <            virtual RigidBody* createRigidBody(MoleculeStamp *molStamp, Molecule* mol,
59 <                                                                               RigidBodyStamp* stamp);
56 <            virtual Bond* createBond(ForceField* ff, Molecule* mol, BondStamp* stamp);
57 <            virtual Bend* createBend(ForceField* ff, Molecule* mol, BendStamp* stamp);
58 <            virtual Torsion* createTorsion(ForceField* ff, Molecule* mol, TorsionStamp* stamp);
59 <            virtual CutoffGroup* createCutoffGroup(Molecule* mol, CutoffGroupStamp* stamp);
60 <            //virtual Constraint* createConstraint();      
56 >    protected:
57 >        
58 >        /** Create an atom by its stamp */
59 >        virtual Atom* createAtom(ForceField* ff, Molecule* mol, AtomStamp* stamp);
60  
61 <    };
61 >        virtual RigidBody* createRigidBody(MoleculeStamp *molStamp, Molecule* mol,
62 >                                                                           RigidBodyStamp* stamp);
63 >        virtual Bond* createBond(ForceField* ff, Molecule* mol, BondStamp* stamp);
64 >        virtual Bend* createBend(ForceField* ff, Molecule* mol, BendStamp* stamp);
65 >        virtual Torsion* createTorsion(ForceField* ff, Molecule* mol, TorsionStamp* stamp);
66 >        virtual CutoffGroup* createCutoffGroup(Molecule* mol, CutoffGroupStamp* stamp);
67 >        virtual CutoffGroup* createCutoffGroup(Molecule * mol, Atom* atom);
68 >        //virtual Constraint* createConstraint();      
69  
70 + };
71  
72 +
73   }
74   #endif //BRAINS_MOLECULECREATOR_HPP

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