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"
#include "types/AtomStamp.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* at, AtomStamp* ats);

            /** 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:	1805
Committed:	Tue Nov 30 20:50:47 2004 UTC (19 years, 7 months ago) by tim
File size:	7048 byte(s)
Log Message:	brains get built, io is next
#	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	tim	1805	#include "types/AtomStamp.hpp"
41	tim	1692	namespace oopse{
42			class RigidBody : public StuntDouble {
43			public:
44			RigidBody();
45	gezelter	1490
46	tim	1692	/**
47			* Sets the previous rotation matrix of this stuntdouble
48			* @param a new rotation matrix
49			*/
50			virtual void setPrevA(const RotMat3x3d& a);
51
52			/**
53			* Sets the current rotation matrix of this stuntdouble
54			* @param a new rotation matrix
55			*/
56			virtual void setA(const RotMat3x3d& a);
57			/**
58			* Sets the rotation matrix of this stuntdouble in specified snapshot
59			* @param a rotation matrix to be set
60			* @param snapshotNo
61			* @see #getA
62			*/
63			virtual void setA(const RotMat3x3d& a, int snapshotNo);
64	gezelter	1490
65	tim	1692	/**
66			* Returns the inertia tensor of this stuntdouble
67			* @return the inertia tensor of this stuntdouble
68			*/
69			virtual Mat3x3d getI();
70	gezelter	1490
71
72	tim	1692	/** Sets the internal unit frame of this stuntdouble by three euler angles */
73			void setUnitFrameFromEuler(double phi, double theta, double psi);
74
75			/**
76			* Returns the gradient of this stuntdouble
77			* @return the inertia tensor of this stuntdouble
78			* @see #setI
79			*/
80			virtual std::vector<double> getGrad();
81	gezelter	1490
82	tim	1692	virtual void accept(BaseVisitor* v);
83	gezelter	1490
84	tim	1805	void addAtom(Atom* at, AtomStamp* ats);
85	gezelter	1490
86	tim	1692	/** calculate the reference coordinates */
87			void calcRefCoords();
88	gezelter	1490
89	tim	1692	/** Convert Atomic forces and torques to total forces and torques */
90			void calcForcesAndTorques();
91	gezelter	1490
92	tim	1692	/** update the positions of atoms belong to this rigidbody */
93			void updateAtoms();
94	gezelter	1490
95	tim	1695	Atom* beginAtom(std::vector<Atom*>::iterator& i);
96
97			Atom* nextAtom(std::vector<Atom*>::iterator& i);
98
99			std::vector<Atom*>::iterator getBeginAtomIter() {
100			return atoms_.begin();
101			}
102
103			std::vector<Atom*>::iterator getEndAtomIter() {
104			return atoms_.end();
105			}
106
107	tim	1692	/**
108			* Returns the atoms of this rigid body
109			* @return the atoms of this rigid body in a vector
110	tim	1695	* @deprecate
111	tim	1692	*/
112			std::vector<Atom*> getAtoms() {
113			return atoms_;
114			}
115	gezelter	1490
116	tim	1692	/**
117			* Returns the number of atoms in this rigid body
118			* @return the number of atoms in this rigid body
119			*/
120			int getNumAtoms() {
121			return atoms_.size();
122			}
123	gezelter	1490
124	tim	1692	/**
125			* Return the position of atom which belongs to this rigid body.
126			* @return true if index is valid otherwise return false
127			* @param pos the position of atom which will be set on return if index is valid
128			* @param index the index of the atom in rigid body's private data member atoms_
129			*/
130			bool getAtomPos(Vector3d& pos, unsigned int index);
131	gezelter	1490
132	tim	1692	/**
133			* Return the position of atom which belongs to this rigid body.
134			* @return true if atom belongs to this rigid body,otherwise return false
135			* @param pos position of atom which will be set on return if atom belongs to this rigid body
136			* @param atom the pointer to an atom
137			*/
138			bool getAtomPos(Vector3d& pos, Atom* atom);
139	gezelter	1490
140	tim	1692	/**
141			* Return the velocity of atom which belongs to this rigid body.
142			* @return true if index is valid otherwise return false
143			* @param vel the velocity of atom which will be set on return if index is valid
144			* @param index the index of the atom in rigid body's private data member atoms_
145			*/
146			bool getAtomVel(Vector3d& vel, unsigned int index);
147	gezelter	1490
148	tim	1692	/**
149			* Return the velocity of atom which belongs to this rigid body.
150			* @return true if atom belongs to this rigid body,otherwise return false
151			* @param vel velocity of atom which will be set on return if atom belongs to this rigid body
152			* @param atom the pointer to an atom
153			*/
154			bool getAtomVel(Vector3d& vel, Atom*);
155	gezelter	1490
156	tim	1692	/**
157			* Return the reference coordinate of atom which belongs to this rigid body.
158			* @return true if index is valid otherwise return false
159			* @param coor the reference coordinate of atom which will be set on return if index is valid
160			* @param index the index of the atom in rigid body's private data member atoms_
161			*/
162			bool getAtomRefCoor(Vector3d& coor, unsigned int index);
163	gezelter	1490
164	tim	1692	/**
165			* Return the velocity of atom which belongs to this rigid body.
166			* @return true if atom belongs to this rigid body,otherwise return false
167			* @param coor velocity of atom which will be set on return if atom belongs to this rigid body
168			* @param atom the pointer to an atom
169			*/
170			bool getAtomRefCoor(Vector3d& coor, Atom* atom);
171	gezelter	1490
172	tim	1692	private:
173
174			Mat3x3d inertiaTensor_;
175			RotMat3x3d sU_; /*< body fixed standard unit vector /
176
177			std::vector<Atom*> atoms_;
178			std::vector<Vector3d> refCoords_;
179			};
180	gezelter	1490
181	tim	1692	}//namepace oopse
182	gezelter	1490
183	tim	1692	#endif //PRIMITIVES_RIGIDBODY_HPP
184	gezelter	1490