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();

        virtual std::string getType() { return name_;}
        
        /** Sets the name of this stuntdouble*/
        virtual void setType(const std::string& name) { name_ = name;}
    

       /**
         * 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:
        std::string name_;        
        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:	1823
Committed:	Thu Dec 2 02:23:45 2004 UTC (19 years, 7 months ago) by tim
File size:	7013 byte(s)
Log Message:	begin to fix linking problem
#	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	virtual std::string getType() { return name_;}
47
48	/** Sets the name of this stuntdouble*/
49	virtual void setType(const std::string& name) { name_ = name;}
50
51
52	/**
53	* Sets the previous rotation matrix of this stuntdouble
54	* @param a new rotation matrix
55	*/
56	virtual void setPrevA(const RotMat3x3d& a);
57
58	/**
59	* Sets the current rotation matrix of this stuntdouble
60	* @param a new rotation matrix
61	* @note setA will not change the position and rotation matrix of Directional atoms belong to
62	* this rigidbody. If you want to do that, use #updateAtoms
63	*/
64	virtual void setA(const RotMat3x3d& a);
65	/**
66	* Sets the rotation matrix of this stuntdouble in specified snapshot
67	* @param a rotation matrix to be set
68	* @param snapshotNo
69	* @see #getA
70	*/
71	virtual void setA(const RotMat3x3d& a, int snapshotNo);
72
73	/**
74	* Returns the inertia tensor of this stuntdouble
75	* @return the inertia tensor of this stuntdouble
76	*/
77	virtual Mat3x3d getI();
78
79
80	/** Sets the internal unit frame of this stuntdouble by three euler angles */
81	void setElectroFrameFromEuler(double phi, double theta, double psi);
82
83	/**
84	* Returns the gradient of this stuntdouble
85	* @return the inertia tensor of this stuntdouble
86	* @see #setI
87	*/
88	virtual std::vector<double> getGrad();
89
90	virtual void accept(BaseVisitor* v);
91
92	void addAtom(Atom* at, AtomStamp* ats);
93
94	/** calculate the reference coordinates */
95	void calcRefCoords();
96
97	/** Convert Atomic forces and torques to total forces and torques */
98	void calcForcesAndTorques();
99
100	/** update the positions of atoms belong to this rigidbody */
101	void updateAtoms();
102
103	Atom* beginAtom(std::vector<Atom*>::iterator& i);
104
105	Atom* nextAtom(std::vector<Atom*>::iterator& i);
106
107	std::vector<Atom*>::iterator getBeginAtomIter() {
108	return atoms_.begin();
109	}
110
111	std::vector<Atom*>::iterator getEndAtomIter() {
112	return atoms_.end();
113	}
114
115	/**
116	* Returns the atoms of this rigid body
117	* @return the atoms of this rigid body in a vector
118	* @deprecate
119	*/
120	std::vector<Atom*> getAtoms() {
121	return atoms_;
122	}
123
124	/**
125	* Returns the number of atoms in this rigid body
126	* @return the number of atoms in this rigid body
127	*/
128	int getNumAtoms() {
129	return atoms_.size();
130	}
131
132	/**
133	* Return the position of atom which belongs to this rigid body.
134	* @return true if index is valid otherwise return false
135	* @param pos the position of atom which will be set on return if index is valid
136	* @param index the index of the atom in rigid body's private data member atoms_
137	*/
138	bool getAtomPos(Vector3d& pos, unsigned int index);
139
140	/**
141	* Return the position of atom which belongs to this rigid body.
142	* @return true if atom belongs to this rigid body,otherwise return false
143	* @param pos position of atom which will be set on return if atom belongs to this rigid body
144	* @param atom the pointer to an atom
145	*/
146	bool getAtomPos(Vector3d& pos, Atom* atom);
147
148	/**
149	* Return the velocity of atom which belongs to this rigid body.
150	* @return true if index is valid otherwise return false
151	* @param vel the velocity of atom which will be set on return if index is valid
152	* @param index the index of the atom in rigid body's private data member atoms_
153	*/
154	bool getAtomVel(Vector3d& vel, unsigned int index);
155
156	/**
157	* Return the velocity of atom which belongs to this rigid body.
158	* @return true if atom belongs to this rigid body,otherwise return false
159	* @param vel velocity of atom which will be set on return if atom belongs to this rigid body
160	* @param atom the pointer to an atom
161	*/
162	bool getAtomVel(Vector3d& vel, Atom*);
163
164	/**
165	* Return the reference coordinate of atom which belongs to this rigid body.
166	* @return true if index is valid otherwise return false
167	* @param coor the reference coordinate of atom which will be set on return if index is valid
168	* @param index the index of the atom in rigid body's private data member atoms_
169	*/
170	bool getAtomRefCoor(Vector3d& coor, unsigned int index);
171
172	/**
173	* Return the velocity of atom which belongs to this rigid body.
174	* @return true if atom belongs to this rigid body,otherwise return false
175	* @param coor velocity of atom which will be set on return if atom belongs to this rigid body
176	* @param atom the pointer to an atom
177	*/
178	bool getAtomRefCoor(Vector3d& coor, Atom* atom);
179
180	private:
181	std::string name_;
182	Mat3x3d inertiaTensor_;
183	RotMat3x3d sU_; /*< body fixed standard unit vector /
184
185	std::vector<Atom*> atoms_;
186	std::vector<Vector3d> refCoords_;
187	std::vector<RotMat3x3d> refOrients_;
188	};
189
190	}//namepace oopse
191
192	#endif //PRIMITIVES_RIGIDBODY_HPP
193