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Comparing trunk/test/brains/Atom.hpp (file contents):
Revision 147 by tim, Sat Oct 23 23:09:46 2004 UTC vs.
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC

# Line 1 | Line 1
1   /*
2 < * Copyright (C) 2000-2004  Object Oriented Parallel Simulation Engine (OOPSE) project
2 > * Copyright (C) 2000-2009  The Open Molecular Dynamics Engine (OpenMD) project
3   *
4 < * Contact: oopse@oopse.org
4 > * Contact: gezelter@openscience.org
5   *
6   * This program is free software; you can redistribute it and/or
7   * modify it under the terms of the GNU Lesser General Public License
# Line 34 | Line 34
34   #define PRIMITIVES_ATOM_HPP
35  
36   #include "primitives/StuntDouble.hpp"
37 + #include "types/AtomType.hpp"
38  
39 < namespace oopse{
39 > namespace OpenMD{
40      class Atom : public StuntDouble {
41          public:
42 <            Atom();
43 <       /**
44 <         * Returns the inertia tensor of this stuntdouble
45 <         * @return the inertia tensor of this stuntdouble
46 <         * @see #setI
47 <         */
47 <        virtual Mat3x3d getI();
42 >            Atom(AtomType* at);
43 >            /**
44 >             * Returns the inertia tensor of this stuntdouble
45 >             * @return the inertia tensor of this stuntdouble
46 >             */
47 >            virtual Mat3x3d getI();
48  
49 <       /**
50 <         * Sets the inertia tensor of this stuntdouble
51 <         * @param trq new inertia tensor
52 <         * @see #getI
53 <         */      
54 <        virtual void setI(Mat3x3d& I);
49 >            /**
50 >             * Returns the gradient of this stuntdouble
51 >             * @return the inertia tensor of this stuntdouble
52 >             */
53 >            virtual std::vector<double> getGrad();
54  
55 <       /**
57 <         * Returns the gradient of this stuntdouble
58 <         * @return the inertia tensor of this stuntdouble
59 <         * @see #setI
60 <         */
61 <       virtual std::vector<double> getGrad();
55 >            virtual void accept(BaseVisitor* v);
56  
57 <       virtual void accept(BaseVisitor* v);
57 >            /**
58 >             * Returns the AtomType of this Atom.
59 >             * @return the atom type of this atom
60 >             */
61 >            AtomType* getAtomType() {
62 >                return atomType_;
63 >            }
64 >            
65 >            //forward  functions of AtomType class
66 >            bool    isCharge()  {
67 >                return atomType_->isCharge();
68 >            }
69 >            
70 >            bool    isDirectional() {
71 >                return atomType_->isDirectional();
72 >            }
73 >
74 >            bool    isDipole()  {
75 >                return atomType_->isDipole();
76 >            }
77 >            
78 >            bool    isGayBerne()  {
79 >                return atomType_->isGayBerne();
80 >            }
81 >            
82 >            bool    isSticky()  {
83 >                return atomType_->isSticky();
84 >            }
85 >
86 >            bool    isShape()  {
87 >                return atomType_->isShape();
88 >            }            
89 >
90 >        private:
91 >            AtomType* atomType_;
92        
93      };
94  
95 < }//namepace oopse
95 > }//namepace OpenMD
96  
97 < #endif //PRIMITIVES_ATOM_HPP
97 > #endif //PRIMITIVES_ATOM_HPP

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