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 void 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:	1822
Committed:	Thu Dec 2 02:08:29 2004 UTC (19 years, 7 months ago) by tim
File size:	7006 byte(s)
Log Message:	oopse get compiled, still has some linking problem
#	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	tim	1822	class RigidBody : public StuntDouble {
43			public:
44			RigidBody();
45	gezelter	1490
46	tim	1822	virtual void getType() { return name_;}
47
48			/** Sets the name of this stuntdouble*/
49			virtual void setType(const std::string& name) { name_ = name;}
50
51	gezelter	1490
52	tim	1822	/**
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	gezelter	1490
73	tim	1822	/**
74			* Returns the inertia tensor of this stuntdouble
75			* @return the inertia tensor of this stuntdouble
76			*/
77			virtual Mat3x3d getI();
78	gezelter	1490
79
80	tim	1822	/** 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	gezelter	1490
90	tim	1822	virtual void accept(BaseVisitor* v);
91	gezelter	1490
92	tim	1822	void addAtom(Atom* at, AtomStamp* ats);
93	gezelter	1490
94	tim	1822	/** calculate the reference coordinates */
95			void calcRefCoords();
96	gezelter	1490
97	tim	1822	/** Convert Atomic forces and torques to total forces and torques */
98			void calcForcesAndTorques();
99	gezelter	1490
100	tim	1822	/** update the positions of atoms belong to this rigidbody */
101			void updateAtoms();
102	tim	1695
103	tim	1822	Atom* beginAtom(std::vector<Atom*>::iterator& i);
104	tim	1695
105	tim	1822	Atom* nextAtom(std::vector<Atom*>::iterator& i);
106	tim	1695
107	tim	1822	std::vector<Atom*>::iterator getBeginAtomIter() {
108			return atoms_.begin();
109			}
110
111			std::vector<Atom*>::iterator getEndAtomIter() {
112			return atoms_.end();
113			}
114	gezelter	1490
115	tim	1822	/**
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	gezelter	1490
124	tim	1822	/**
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	gezelter	1490
132	tim	1822	/**
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	gezelter	1490
140	tim	1822	/**
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	gezelter	1490
148	tim	1822	/**
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	gezelter	1490
156	tim	1822	/**
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	gezelter	1490
164	tim	1822	/**
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	gezelter	1490
172	tim	1822	/**
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	gezelter	1490
180	tim	1822	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	tim	1692	}//namepace oopse
191	gezelter	1490
192	tim	1692	#endif //PRIMITIVES_RIGIDBODY_HPP
193	gezelter	1490