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root/group/trunk/OOPSE/libmdtools/RigidBody.hpp
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Comparing trunk/OOPSE/libmdtools/RigidBody.hpp (file contents):
Revision 1118 by tim, Mon Apr 19 03:52:27 2004 UTC vs.
Revision 1254 by tim, Wed Jun 9 16:16:33 2004 UTC

# Line 26 | Line 26 | class RigidBody : public StuntDouble { (public)
26   public:
27    
28    RigidBody();
29 +  //RigidBody(const RigidBody& rb);
30 +  
31    virtual ~RigidBody();
32  
33    void addAtom(Atom* at, AtomStamp* ats);
# Line 66 | Line 68 | class RigidBody : public StuntDouble { (public)
68    void lab2Body( double r[3] );
69    void body2Lab( double r[3] );
70  
71 +  double getZangle( );
72 +  void setZangle( double zAng );
73 +  void addZangle( double zAng );
74 +
75    void calcRefCoords( void );
76    void doEulerToRotMat(vec3 &euler, mat3x3 &myA );
77    void calcForcesAndTorques( void );
# Line 90 | Line 96 | class RigidBody : public StuntDouble { (public)
96    virtual void accept(BaseVisitor* v);
97  
98    vector<Atom*> getAtoms() { return myAtoms;}
99 <  
99 >  int getNumAtoms() {return myAtoms.size();}
100 >
101 >  void getAtomPos(double theP[3], int index);
102 >  void getAtomRefCoor(double pos[3], int index);
103   protected:
104  
105    double mass;     // the total mass
# Line 102 | Line 111 | class RigidBody : public StuntDouble { (public)
111    double A[3][3];  // the rotation matrix
112    double I[3][3];  // the inertial tensor (body fixed)
113    double sU[3][3]; // the standard unit vectors (body fixed)
114 +  double zAngle;   // the rotation about the z-axis (body fixed)
115  
116    bool is_linear;
117    int linear_axis;
118 <  const static double momIntTol = 1e-6;
118 >  double momIntTol;
119  
120    vector<Atom*> myAtoms;  // the vector of atoms
121    vector<vec3> refCoords;

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