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root/group/trunk/OOPSE/libmdtools/RigidBody.hpp
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Comparing trunk/OOPSE/libmdtools/RigidBody.hpp (file contents):
Revision 1108 by tim, Wed Apr 14 15:37:41 2004 UTC vs.
Revision 1187 by chrisfen, Sat May 22 18:16:18 2004 UTC

# Line 39 | Line 39 | class RigidBody : public StuntDouble { (public)
39    void getFrc( double theF[3] );
40    void addFrc( double theF[3] );
41    void zeroForces();
42 +  
43 +  virtual bool isLinear() {return is_linear;}
44 +  virtual int linearAxis() {return linear_axis;}
45  
46    double getMass( void ) { return mass; }
47  
48    void printAmatIndex( void );
49 <  void setEulerAngles( double phi, double theta, double psi );
49 >  void setEuler( double phi, double theta, double psi );
50    void getQ( double the_q[4] ); // get the quanternions
51    void setQ( double the_q[4] );
52  
# Line 63 | Line 66 | class RigidBody : public StuntDouble { (public)
66    void lab2Body( double r[3] );
67    void body2Lab( double r[3] );
68  
69 +  double getZangle( );
70 +  void setZangle( double zAng );
71 +  void addZangle( double zAng );
72 +
73    void calcRefCoords( void );
74    void doEulerToRotMat(vec3 &euler, mat3x3 &myA );
75    void calcForcesAndTorques( void );
# Line 83 | Line 90 | class RigidBody : public StuntDouble { (public)
90    // utility routines
91  
92    void findCOM( void );
93 <  void findOrient( void );
93 >
94 >  virtual void accept(BaseVisitor* v);
95 >
96 >  vector<Atom*> getAtoms() { return myAtoms;}
97    
98   protected:
99  
# Line 96 | Line 106 | class RigidBody : public StuntDouble { (public)
106    double A[3][3];  // the rotation matrix
107    double I[3][3];  // the inertial tensor (body fixed)
108    double sU[3][3]; // the standard unit vectors (body fixed)
109 +  double zAngle;   // the rotation about the z-axis (body fixed)
110  
111 +  bool is_linear;
112 +  int linear_axis;
113 +  double momIntTol;
114 +
115    vector<Atom*> myAtoms;  // the vector of atoms
116    vector<vec3> refCoords;
117    vector<mat3x3> refOrients;
118  
104 –  bool com_good;
105 –  bool forces_good;
106 –  bool precalc_done;
107 –  bool orient_good;
108 –
119    char rbName[100]; //it will eventually be converted into string
120   };
121  

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