[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/RigidBody.hpp

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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