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 
             * @note setA will not change the position and rotation matrix of Directional atoms belong to
             * this rigidbody. If you want to do that, use #updateAtoms
             */         
            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 setElectroFrameFromEuler(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_;
            std::vector<RotMat3x3d> refOrients_;
    };

}//namepace oopse

#endif //PRIMITIVES_RIGIDBODY_HPP

Revision:	1813
Committed:	Wed Dec 1 17:38:32 2004 UTC (19 years, 9 months ago) by tim
File size:	7278 byte(s)
Log Message:	refactory AtomType
#	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	tim	1813	* @note setA will not change the position and rotation matrix of Directional atoms belong to
56			* this rigidbody. If you want to do that, use #updateAtoms
57	tim	1692	*/
58			virtual void setA(const RotMat3x3d& a);
59			/**
60			* Sets the rotation matrix of this stuntdouble in specified snapshot
61			* @param a rotation matrix to be set
62			* @param snapshotNo
63			* @see #getA
64			*/
65			virtual void setA(const RotMat3x3d& a, int snapshotNo);
66	gezelter	1490
67	tim	1692	/**
68			* Returns the inertia tensor of this stuntdouble
69			* @return the inertia tensor of this stuntdouble
70			*/
71			virtual Mat3x3d getI();
72	gezelter	1490
73
74	tim	1692	/** Sets the internal unit frame of this stuntdouble by three euler angles */
75	tim	1813	void setElectroFrameFromEuler(double phi, double theta, double psi);
76	tim	1692
77			/**
78			* Returns the gradient of this stuntdouble
79			* @return the inertia tensor of this stuntdouble
80			* @see #setI
81			*/
82			virtual std::vector<double> getGrad();
83	gezelter	1490
84	tim	1692	virtual void accept(BaseVisitor* v);
85	gezelter	1490
86	tim	1805	void addAtom(Atom* at, AtomStamp* ats);
87	gezelter	1490
88	tim	1692	/** calculate the reference coordinates */
89			void calcRefCoords();
90	gezelter	1490
91	tim	1692	/** Convert Atomic forces and torques to total forces and torques */
92			void calcForcesAndTorques();
93	gezelter	1490
94	tim	1692	/** update the positions of atoms belong to this rigidbody */
95			void updateAtoms();
96	gezelter	1490
97	tim	1695	Atom* beginAtom(std::vector<Atom*>::iterator& i);
98
99			Atom* nextAtom(std::vector<Atom*>::iterator& i);
100
101			std::vector<Atom*>::iterator getBeginAtomIter() {
102			return atoms_.begin();
103			}
104
105			std::vector<Atom*>::iterator getEndAtomIter() {
106			return atoms_.end();
107			}
108
109	tim	1692	/**
110			* Returns the atoms of this rigid body
111			* @return the atoms of this rigid body in a vector
112	tim	1695	* @deprecate
113	tim	1692	*/
114			std::vector<Atom*> getAtoms() {
115			return atoms_;
116			}
117	gezelter	1490
118	tim	1692	/**
119			* Returns the number of atoms in this rigid body
120			* @return the number of atoms in this rigid body
121			*/
122			int getNumAtoms() {
123			return atoms_.size();
124			}
125	gezelter	1490
126	tim	1692	/**
127			* Return the position of atom which belongs to this rigid body.
128			* @return true if index is valid otherwise return false
129			* @param pos the position of atom which will be set on return if index is valid
130			* @param index the index of the atom in rigid body's private data member atoms_
131			*/
132			bool getAtomPos(Vector3d& pos, unsigned int index);
133	gezelter	1490
134	tim	1692	/**
135			* Return the position of atom which belongs to this rigid body.
136			* @return true if atom belongs to this rigid body,otherwise return false
137			* @param pos position of atom which will be set on return if atom belongs to this rigid body
138			* @param atom the pointer to an atom
139			*/
140			bool getAtomPos(Vector3d& pos, Atom* atom);
141	gezelter	1490
142	tim	1692	/**
143			* Return the velocity of atom which belongs to this rigid body.
144			* @return true if index is valid otherwise return false
145			* @param vel the velocity of atom which will be set on return if index is valid
146			* @param index the index of the atom in rigid body's private data member atoms_
147			*/
148			bool getAtomVel(Vector3d& vel, unsigned int index);
149	gezelter	1490
150	tim	1692	/**
151			* Return the velocity of atom which belongs to this rigid body.
152			* @return true if atom belongs to this rigid body,otherwise return false
153			* @param vel velocity of atom which will be set on return if atom belongs to this rigid body
154			* @param atom the pointer to an atom
155			*/
156			bool getAtomVel(Vector3d& vel, Atom*);
157	gezelter	1490
158	tim	1692	/**
159			* Return the reference coordinate of atom which belongs to this rigid body.
160			* @return true if index is valid otherwise return false
161			* @param coor the reference coordinate of atom which will be set on return if index is valid
162			* @param index the index of the atom in rigid body's private data member atoms_
163			*/
164			bool getAtomRefCoor(Vector3d& coor, unsigned int index);
165	gezelter	1490
166	tim	1692	/**
167			* Return the velocity of atom which belongs to this rigid body.
168			* @return true if atom belongs to this rigid body,otherwise return false
169			* @param coor velocity of atom which will be set on return if atom belongs to this rigid body
170			* @param atom the pointer to an atom
171			*/
172			bool getAtomRefCoor(Vector3d& coor, Atom* atom);
173	gezelter	1490
174	tim	1692	private:
175
176			Mat3x3d inertiaTensor_;
177			RotMat3x3d sU_; /*< body fixed standard unit vector /
178
179			std::vector<Atom*> atoms_;
180			std::vector<Vector3d> refCoords_;
181	tim	1813	std::vector<RotMat3x3d> refOrients_;
182	tim	1692	};
183	gezelter	1490
184	tim	1692	}//namepace oopse
185	gezelter	1490
186	tim	1692	#endif //PRIMITIVES_RIGIDBODY_HPP
187	gezelter	1490