[ViewVC] Diff of: OpenMD/trunk/src/primitives/RigidBody.hpp

Comparing trunk/src/primitives/RigidBody.hpp (file contents):
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 1126 by gezelter, Fri Apr 6 21:53:43 2007 UTC

#	Line 64 \| Line 64 \| namespace oopse{
64
65		virtual std::string getType() { return name_;}
66
67	<	/** Sets the name of this stuntdouble*/
67	>	/** Sets the name of this stuntRealType*/
68		virtual void setType(const std::string& name) { name_ = name;}
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#	Line 97 \| Line 97 \| namespace oopse{
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98
99		/** Sets the internal unit frame of this stuntdouble by three euler angles */
100	<	void setElectroFrameFromEuler(double phi, double theta, double psi);
100	>	void setElectroFrameFromEuler(RealType phi, RealType theta, RealType psi);
101
102		/**
103		* Returns the gradient of this stuntdouble
104		* @return the inertia tensor of this stuntdouble
105		* @see #setI
106		*/
107	<	virtual std::vector<double> getGrad();
107	>	virtual std::vector<RealType> getGrad();
108
109		virtual void accept(BaseVisitor* v);
110
111		void addAtom(Atom* at, AtomStamp* ats);
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113	<	/** calculate the reference coordinates */
113	>	/** calculates the reference coordinates */
114		void calcRefCoords();
115
116	<	/** Convert Atomic forces and torques to total forces and torques */
116	>	/** Converts Atomic forces and torques to total forces and torques */
117		void calcForcesAndTorques();
118
119	+	/** Converts Atomic forces and torques to total forces and torques and computes the rigid body contribution to the virial. Returns the rigid body contribution to the virial as a 3x3 matrix. */
120	+	Mat3x3d calcForcesAndTorquesAndVirial();
121	+
122		/** update the positions of atoms belong to this rigidbody */
123		void updateAtoms();
124

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