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root/OpenMD/trunk/src/brains/MoleculeCreator.hpp
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Comparing trunk/src/brains/MoleculeCreator.hpp (file contents):
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 1277 by gezelter, Mon Jul 14 12:35:58 2008 UTC

# Line 57 | Line 57
57   #include "types/CutoffGroupStamp.hpp"
58   #include "types/RigidBodyStamp.hpp"
59   #include "types/TorsionStamp.hpp"
60 + #include "types/InversionStamp.hpp"
61   #include "primitives/Molecule.hpp"
62   namespace oopse {
63  
# Line 67 | Line 68 | namespace oopse {
68    class MoleculeCreator {
69    public:
70      virtual Molecule* createMolecule(ForceField* ff, MoleculeStamp *molStamp,
71 <                                     int stampId, int globalIndex,  LocalIndexManager* localIndexMan);
71 >                                     int stampId, int globalIndex,  
72 >                                     LocalIndexManager* localIndexMan);
73  
74    protected:
75          
76      /** Create an atom by its stamp */
77      virtual Atom* createAtom(ForceField* ff, Molecule* mol, AtomStamp* stamp,
78                               LocalIndexManager* localIndexMan);
77 –
79      virtual RigidBody* createRigidBody(MoleculeStamp *molStamp, Molecule* mol,
80 <                                       RigidBodyStamp* rbStamp,  LocalIndexManager* localIndexMan);
81 <
80 >                                       RigidBodyStamp* rbStamp,  
81 >                                       LocalIndexManager* localIndexMan);
82      virtual Bond* createBond(ForceField* ff, Molecule* mol, BondStamp* stamp);
83      virtual Bend* createBend(ForceField* ff, Molecule* mol, BendStamp* stamp);
84 <    virtual Torsion* createTorsion(ForceField* ff, Molecule* mol, TorsionStamp* stamp);
85 <    virtual CutoffGroup* createCutoffGroup(Molecule* mol, CutoffGroupStamp* stamp);
84 >    virtual Torsion* createTorsion(ForceField* ff, Molecule* mol,
85 >                                   TorsionStamp* stamp);
86 >    virtual Inversion* createInversion(ForceField* ff, Molecule* mol,
87 >                                       InversionStamp* stamp);
88 >    virtual CutoffGroup* createCutoffGroup(Molecule* mol,
89 >                                           CutoffGroupStamp* stamp);
90      virtual CutoffGroup* createCutoffGroup(Molecule * mol, Atom* atom);
91      virtual void createConstraintPair(Molecule* mol);    
92      virtual void createConstraintElem(Molecule* mol);

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