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root/group/trunk/OOPSE-2.0/src/brains/MoleculeCreator.hpp
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Comparing trunk/OOPSE-2.0/src/brains/MoleculeCreator.hpp (file contents):
Revision 1930 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 2204 by gezelter, Fri Apr 15 22:04:00 2005 UTC

# Line 1 | Line 1
1 < /*
1 > /*
2   * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4   * The University of Notre Dame grants you ("Licensee") a
# Line 39 | Line 39
39   * such damages.
40   */
41  
42 < /**
43 <  * @file MoleculeCreator.hpp
44 <  * @author tlin
45 <  * @date 11/04/2004
46 <  * @time 13:51am
47 <  * @version 1.0
48 <  */
42 > /**
43 > * @file MoleculeCreator.hpp
44 > * @author tlin
45 > * @date 11/04/2004
46 > * @time 13:51am
47 > * @version 1.0
48 > */
49  
50   #ifndef BRAINS_MOLECULECREATOR_HPP
51   #define BRAINS_MOLECULECREATOR_HPP
# Line 60 | Line 60 | namespace oopse {
60   #include "primitives/Molecule.hpp"
61   namespace oopse {
62  
63 < /**
64 < * @class MoleculeCreator MoleculeCreator.hpp "brains/MoleculeCreator.hpp"
65 < * @brief
66 < */
67 < class MoleculeCreator {
68 <    public:
69 <        virtual Molecule* createMolecule(ForceField* ff, MoleculeStamp *molStamp,
70 <            int stampId, int globalIndex,  LocalIndexManager* localIndexMan);
63 >  /**
64 >   * @class MoleculeCreator MoleculeCreator.hpp "brains/MoleculeCreator.hpp"
65 >   * @brief
66 >   */
67 >  class MoleculeCreator {
68 >  public:
69 >    virtual Molecule* createMolecule(ForceField* ff, MoleculeStamp *molStamp,
70 >                                     int stampId, int globalIndex,  LocalIndexManager* localIndexMan);
71  
72 <    protected:
72 >  protected:
73          
74 <        /** Create an atom by its stamp */
75 <        virtual Atom* createAtom(ForceField* ff, Molecule* mol, AtomStamp* stamp,
76 <            LocalIndexManager* localIndexMan);
74 >    /** Create an atom by its stamp */
75 >    virtual Atom* createAtom(ForceField* ff, Molecule* mol, AtomStamp* stamp,
76 >                             LocalIndexManager* localIndexMan);
77  
78 <        virtual RigidBody* createRigidBody(MoleculeStamp *molStamp, Molecule* mol,
79 <            RigidBodyStamp* rbStamp,  LocalIndexManager* localIndexMan);
78 >    virtual RigidBody* createRigidBody(MoleculeStamp *molStamp, Molecule* mol,
79 >                                       RigidBodyStamp* rbStamp,  LocalIndexManager* localIndexMan);
80  
81 <        virtual Bond* createBond(ForceField* ff, Molecule* mol, BondStamp* stamp);
82 <        virtual Bend* createBend(ForceField* ff, Molecule* mol, BendStamp* stamp);
83 <        virtual Torsion* createTorsion(ForceField* ff, Molecule* mol, TorsionStamp* stamp);
84 <        virtual CutoffGroup* createCutoffGroup(Molecule* mol, CutoffGroupStamp* stamp);
85 <        virtual CutoffGroup* createCutoffGroup(Molecule * mol, Atom* atom);
86 <        virtual void createConstraintPair(Molecule* mol);    
87 <        virtual void createConstraintElem(Molecule* mol);
88 < };
81 >    virtual Bond* createBond(ForceField* ff, Molecule* mol, BondStamp* stamp);
82 >    virtual Bend* createBend(ForceField* ff, Molecule* mol, BendStamp* stamp);
83 >    virtual Torsion* createTorsion(ForceField* ff, Molecule* mol, TorsionStamp* stamp);
84 >    virtual CutoffGroup* createCutoffGroup(Molecule* mol, CutoffGroupStamp* stamp);
85 >    virtual CutoffGroup* createCutoffGroup(Molecule * mol, Atom* atom);
86 >    virtual void createConstraintPair(Molecule* mol);    
87 >    virtual void createConstraintElem(Molecule* mol);
88 >  };
89  
90  
91   }

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