src/primitives/RigidBody.hpp

/*
 * Copyright (C) 2000-2004  Object Oriented Parallel Simulation Engine (OOPSE) project
 * 
 * Contact: oopse@oopse.org
 * 
 * This program is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public License
 * as published by the Free Software Foundation; either version 2.1
 * of the License, or (at your option) any later version.
 * All we ask is that proper credit is given for our work, which includes
 * - but is not limited to - adding the above copyright notice to the beginning
 * of your source code files, and to any copyright notice that you may distribute
 * with programs based on this work.
 * 
 * This program is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU Lesser General Public License for more details.
 * 
 * You should have received a copy of the GNU Lesser General Public License
 * along with this program; if not, write to the Free Software
 * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.
 *
 */

/**
 * @file RigidBody.hpp
 * @author    tlin
 * @date  10/23/2004
 * @version 1.0
 */ 

#ifndef PRIMITIVES_RIGIDBODY_HPP
#define PRIMITIVES_RIGIDBODY_HPP

#include <vector>

#include "primitives/StuntDouble.hpp"
#include "primitives/DirectionalAtom.hpp"
namespace oopse{
    class RigidBody : public StuntDouble {
        public:
            RigidBody();

           /**
             * Sets  the previous rotation matrix of this stuntdouble
             * @param a  new rotation matrix 
             */         
           virtual void setPrevA(const RotMat3x3d& a);
           
           /**
             * Sets  the current rotation matrix of this stuntdouble
             * @param a  new rotation matrix 
             */         
            virtual void setA(const RotMat3x3d& a);
           /**
             * Sets  the rotation matrix of this stuntdouble in specified snapshot
             * @param a rotation matrix to be set 
             * @param snapshotNo 
             * @see #getA
             */         
            virtual void setA(const RotMat3x3d& a, int snapshotNo);

            /**
             * Returns the inertia tensor of this stuntdouble
             * @return the inertia tensor of this stuntdouble
             */ 
            virtual Mat3x3d getI();


            /** Sets the internal unit frame of this stuntdouble by three euler angles */
            void setUnitFrameFromEuler(double phi, double theta, double psi);
            
            /**
             * Returns the gradient of this stuntdouble
             * @return the inertia tensor of this stuntdouble
             * @see #setI
             */ 
            virtual std::vector<double> getGrad();

            virtual void accept(BaseVisitor* v);

            void addAtom(Atom* atom);

            /** calculate the reference coordinates */
            void calcRefCoords();

            /** Convert Atomic forces and torques to total forces and torques */
            void calcForcesAndTorques();

            /** update the positions of atoms belong to this rigidbody */
            void updateAtoms();

            Atom* beginAtom(std::vector<Atom*>::iterator& i);

            Atom* nextAtom(std::vector<Atom*>::iterator& i);

            std::vector<Atom*>::iterator getBeginAtomIter() {
                return atoms_.begin();
            }
            
            std::vector<Atom*>::iterator getEndAtomIter() {
                return atoms_.end();
            }

            /** 
             * Returns the atoms of this rigid body
             * @return the atoms of this rigid body in a vector
             * @deprecate
             */           
            std::vector<Atom*> getAtoms() {
                return atoms_;
            }

            /** 
             * Returns the number of atoms in this rigid body
             * @return the number of atoms in this rigid body
             */
            int getNumAtoms() {
                return atoms_.size();
            }

            /**
             * Return the position of atom which belongs to this rigid body.
             * @return true if index is valid otherwise return false
             * @param pos the position of atom which will be set on return if index is valid
             * @param index the index of the atom in rigid body's private data member atoms_
             */
            bool getAtomPos(Vector3d& pos, unsigned int index);

            /**
             * Return the position of atom which belongs to this rigid body.
             * @return true if atom belongs to this rigid body,otherwise return false
             * @param pos position of atom which will be set on return if atom belongs to this rigid body
             * @param atom the pointer to an atom
             */            
            bool getAtomPos(Vector3d& pos, Atom* atom);

            /**
             * Return the velocity of atom which belongs to this rigid body.
             * @return true if index is valid otherwise return false
             * @param vel the velocity of atom which will be set on return if index is valid
             * @param index the index of the atom in rigid body's private data member atoms_
             */
            bool getAtomVel(Vector3d& vel, unsigned int index);

            /**
             * Return the velocity of atom which belongs to this rigid body.
             * @return true if atom belongs to this rigid body,otherwise return false
             * @param vel velocity of atom which will be set on return if atom belongs to this rigid body
             * @param atom the pointer to an atom
             */ 
            bool getAtomVel(Vector3d& vel, Atom*);

            /**
             * Return the reference coordinate of atom which belongs to this rigid body.
             * @return true if index is valid otherwise return false
             * @param coor the reference coordinate of atom which will be set on return if index is valid
             * @param index the index of the atom in rigid body's private data member atoms_
             */
            bool getAtomRefCoor(Vector3d& coor, unsigned int index);

            /**
             * Return the velocity of atom which belongs to this rigid body.
             * @return true if atom belongs to this rigid body,otherwise return false
             * @param coor velocity of atom which will be set on return if atom belongs to this rigid body
             * @param atom the pointer to an atom
             */ 
            bool getAtomRefCoor(Vector3d& coor, Atom* atom);

        private:
            
            Mat3x3d inertiaTensor_;     
            RotMat3x3d sU_;               /**< body fixed standard unit vector */
            
            std::vector<Atom*> atoms_;
            std::vector<Vector3d> refCoords_;
    };

}//namepace oopse

#endif //PRIMITIVES_RIGIDBODY_HPP

Revision:	1695
Committed:	Mon Nov 1 22:52:57 2004 UTC (19 years, 10 months ago) by tim
File size:	7003 byte(s)
Log Message:	Molecule, Atom, DirectionalAtom, RigidBody and StuntDouble classes get compiled
#	User	Rev	Content
1	tim	1692	/*
2			* Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project
3			*
4			* Contact: oopse@oopse.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
8			* as published by the Free Software Foundation; either version 2.1
9			* of the License, or (at your option) any later version.
10			* All we ask is that proper credit is given for our work, which includes
11			* - but is not limited to - adding the above copyright notice to the beginning
12			* of your source code files, and to any copyright notice that you may distribute
13			* with programs based on this work.
14			*
15			* This program is distributed in the hope that it will be useful,
16			* but WITHOUT ANY WARRANTY; without even the implied warranty of
17			* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18			* GNU Lesser General Public License for more details.
19			*
20			* You should have received a copy of the GNU Lesser General Public License
21			* along with this program; if not, write to the Free Software
22			* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
23			*
24			*/
25	gezelter	1490
26	tim	1692	/**
27			* @file RigidBody.hpp
28			* @author tlin
29			* @date 10/23/2004
30			* @version 1.0
31			*/
32	gezelter	1490
33	tim	1692	#ifndef PRIMITIVES_RIGIDBODY_HPP
34			#define PRIMITIVES_RIGIDBODY_HPP
35	gezelter	1490
36	tim	1692	#include <vector>
37	gezelter	1490
38	tim	1692	#include "primitives/StuntDouble.hpp"
39			#include "primitives/DirectionalAtom.hpp"
40			namespace oopse{
41			class RigidBody : public StuntDouble {
42			public:
43			RigidBody();
44	gezelter	1490
45	tim	1692	/**
46			* Sets the previous rotation matrix of this stuntdouble
47			* @param a new rotation matrix
48			*/
49			virtual void setPrevA(const RotMat3x3d& a);
50
51			/**
52			* Sets the current rotation matrix of this stuntdouble
53			* @param a new rotation matrix
54			*/
55			virtual void setA(const RotMat3x3d& a);
56			/**
57			* Sets the rotation matrix of this stuntdouble in specified snapshot
58			* @param a rotation matrix to be set
59			* @param snapshotNo
60			* @see #getA
61			*/
62			virtual void setA(const RotMat3x3d& a, int snapshotNo);
63	gezelter	1490
64	tim	1692	/**
65			* Returns the inertia tensor of this stuntdouble
66			* @return the inertia tensor of this stuntdouble
67			*/
68			virtual Mat3x3d getI();
69	gezelter	1490
70
71	tim	1692	/** Sets the internal unit frame of this stuntdouble by three euler angles */
72			void setUnitFrameFromEuler(double phi, double theta, double psi);
73
74			/**
75			* Returns the gradient of this stuntdouble
76			* @return the inertia tensor of this stuntdouble
77			* @see #setI
78			*/
79			virtual std::vector<double> getGrad();
80	gezelter	1490
81	tim	1692	virtual void accept(BaseVisitor* v);
82	gezelter	1490
83	tim	1692	void addAtom(Atom* atom);
84	gezelter	1490
85	tim	1692	/** calculate the reference coordinates */
86			void calcRefCoords();
87	gezelter	1490
88	tim	1692	/** Convert Atomic forces and torques to total forces and torques */
89			void calcForcesAndTorques();
90	gezelter	1490
91	tim	1692	/** update the positions of atoms belong to this rigidbody */
92			void updateAtoms();
93	gezelter	1490
94	tim	1695	Atom* beginAtom(std::vector<Atom*>::iterator& i);
95
96			Atom* nextAtom(std::vector<Atom*>::iterator& i);
97
98			std::vector<Atom*>::iterator getBeginAtomIter() {
99			return atoms_.begin();
100			}
101
102			std::vector<Atom*>::iterator getEndAtomIter() {
103			return atoms_.end();
104			}
105
106	tim	1692	/**
107			* Returns the atoms of this rigid body
108			* @return the atoms of this rigid body in a vector
109	tim	1695	* @deprecate
110	tim	1692	*/
111			std::vector<Atom*> getAtoms() {
112			return atoms_;
113			}
114	gezelter	1490
115	tim	1692	/**
116			* Returns the number of atoms in this rigid body
117			* @return the number of atoms in this rigid body
118			*/
119			int getNumAtoms() {
120			return atoms_.size();
121			}
122	gezelter	1490
123	tim	1692	/**
124			* Return the position of atom which belongs to this rigid body.
125			* @return true if index is valid otherwise return false
126			* @param pos the position of atom which will be set on return if index is valid
127			* @param index the index of the atom in rigid body's private data member atoms_
128			*/
129			bool getAtomPos(Vector3d& pos, unsigned int index);
130	gezelter	1490
131	tim	1692	/**
132			* Return the position of atom which belongs to this rigid body.
133			* @return true if atom belongs to this rigid body,otherwise return false
134			* @param pos position of atom which will be set on return if atom belongs to this rigid body
135			* @param atom the pointer to an atom
136			*/
137			bool getAtomPos(Vector3d& pos, Atom* atom);
138	gezelter	1490
139	tim	1692	/**
140			* Return the velocity of atom which belongs to this rigid body.
141			* @return true if index is valid otherwise return false
142			* @param vel the velocity of atom which will be set on return if index is valid
143			* @param index the index of the atom in rigid body's private data member atoms_
144			*/
145			bool getAtomVel(Vector3d& vel, unsigned int index);
146	gezelter	1490
147	tim	1692	/**
148			* Return the velocity of atom which belongs to this rigid body.
149			* @return true if atom belongs to this rigid body,otherwise return false
150			* @param vel velocity of atom which will be set on return if atom belongs to this rigid body
151			* @param atom the pointer to an atom
152			*/
153			bool getAtomVel(Vector3d& vel, Atom*);
154	gezelter	1490
155	tim	1692	/**
156			* Return the reference coordinate of atom which belongs to this rigid body.
157			* @return true if index is valid otherwise return false
158			* @param coor the reference coordinate of atom which will be set on return if index is valid
159			* @param index the index of the atom in rigid body's private data member atoms_
160			*/
161			bool getAtomRefCoor(Vector3d& coor, unsigned int index);
162	gezelter	1490
163	tim	1692	/**
164			* Return the velocity of atom which belongs to this rigid body.
165			* @return true if atom belongs to this rigid body,otherwise return false
166			* @param coor velocity of atom which will be set on return if atom belongs to this rigid body
167			* @param atom the pointer to an atom
168			*/
169			bool getAtomRefCoor(Vector3d& coor, Atom* atom);
170	gezelter	1490
171	tim	1692	private:
172
173			Mat3x3d inertiaTensor_;
174			RotMat3x3d sU_; /*< body fixed standard unit vector /
175
176			std::vector<Atom*> atoms_;
177			std::vector<Vector3d> refCoords_;
178			};
179	gezelter	1490
180	tim	1692	}//namepace oopse
181	gezelter	1490
182	tim	1692	#endif //PRIMITIVES_RIGIDBODY_HPP
183	gezelter	1490