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, 7 months ago) by tim
File size:	7278 byte(s)
Log Message:	refactory AtomType
#	Content
1	/*
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
26	/**
27	* @file RigidBody.hpp
28	* @author tlin
29	* @date 10/23/2004
30	* @version 1.0
31	*/
32
33	#ifndef PRIMITIVES_RIGIDBODY_HPP
34	#define PRIMITIVES_RIGIDBODY_HPP
35
36	#include <vector>
37
38	#include "primitives/StuntDouble.hpp"
39	#include "primitives/DirectionalAtom.hpp"
40	#include "types/AtomStamp.hpp"
41	namespace oopse{
42	class RigidBody : public StuntDouble {
43	public:
44	RigidBody();
45
46	/**
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	* @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	*/
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
67	/**
68	* Returns the inertia tensor of this stuntdouble
69	* @return the inertia tensor of this stuntdouble
70	*/
71	virtual Mat3x3d getI();
72
73
74	/** Sets the internal unit frame of this stuntdouble by three euler angles */
75	void setElectroFrameFromEuler(double phi, double theta, double psi);
76
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
84	virtual void accept(BaseVisitor* v);
85
86	void addAtom(Atom* at, AtomStamp* ats);
87
88	/** calculate the reference coordinates */
89	void calcRefCoords();
90
91	/** Convert Atomic forces and torques to total forces and torques */
92	void calcForcesAndTorques();
93
94	/** update the positions of atoms belong to this rigidbody */
95	void updateAtoms();
96
97	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	/**
110	* Returns the atoms of this rigid body
111	* @return the atoms of this rigid body in a vector
112	* @deprecate
113	*/
114	std::vector<Atom*> getAtoms() {
115	return atoms_;
116	}
117
118	/**
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
126	/**
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
134	/**
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
142	/**
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
150	/**
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
158	/**
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
166	/**
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
174	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	std::vector<RotMat3x3d> refOrients_;
182	};
183
184	}//namepace oopse
185
186	#endif //PRIMITIVES_RIGIDBODY_HPP
187