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root/OpenMD/branches/development/test/brains/DirectionalAtom.hpp
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Comparing:
trunk/test/brains/DirectionalAtom.hpp (file contents), Revision 147 by tim, Sat Oct 23 23:09:46 2004 UTC vs.
branches/development/test/brains/DirectionalAtom.hpp (file contents), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 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_DIRECTIONALATOM_HPP
35  
36   #include "primitives/Atom.hpp"
37 <
38 < namespace oopse{
37 > #include "types/DirectionalAtomType.hpp"
38 > namespace OpenMD{
39      class DirectionalAtom : public Atom {
40          public:
41 <            DirectionalAtom();
41 >            DirectionalAtom(DirectionalAtomType* dAtomType);
42              /**
43               * Returns the inertia tensor of this stuntdouble
44               * @return the inertia tensor of this stuntdouble
45 –             * @see #setI
45               */
46              virtual Mat3x3d getI();
47  
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);
48  
49 +           /**
50 +             * Sets  the previous rotation matrix of this stuntdouble
51 +             * @param a  new rotation matrix
52 +             */        
53 +           virtual void setPrevA(const RotMat3x3d& a);
54 +          
55 +           /**
56 +             * Sets  the current rotation matrix of this stuntdouble
57 +             * @param a  new rotation matrix
58 +             */        
59 +            virtual void setA(const RotMat3x3d& a);
60 +
61 +           /**
62 +             * Sets  the rotation matrix of this stuntdouble in specified snapshot
63 +             * @param a rotation matrix to be set
64 +             * @param snapshotNo
65 +             * @see #getA
66 +             */        
67 +            virtual void setA(const RotMat3x3d& a, int snapshotNo);
68 +
69 +            /**
70 +             * Left multiple rotation matrix by another rotation matrix
71 +             * @param m a rotation matrix
72 +             */
73 +            void rotateBy(const RotMat3x3d& m);
74 +            
75 +            /** Sets the internal unit frame of this stuntdouble by three euler angles */
76 +            void setUnitFrameFromEuler(double phi, double theta, double psi);
77 +
78              /**
79               * Returns the gradient of this stuntdouble
80 <             * @return the inertia tensor of this stuntdouble
59 <             * @see #setI
80 >             * @return the gradient of this stuntdouble
81               */
82              virtual std::vector<double> getGrad();
83  
84              virtual void accept(BaseVisitor* v);
85  
86          protected:
87 <            Mat3x3d inertiaTensor_;      
87 >            Mat3x3d inertiaTensor_;   /**< inertial tensor */    
88 >            RotMat3x3d sU_;               /**< body fixed standard unit vector */
89      };
90  
91 < }//namepace oopse
91 > }//namespace OpenMD
92  
93   #endif //PRIMITIVES_DIRECTIONALATOM_HPP

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