src/types/DirectionalAtomType.hpp

#ifndef TYPES_DIRECTIONALATOMTYPE_HPP
#define TYPES_DIRECTIONALATOMTYPE_HPP

#include "types/AtomType.hpp"
#include "math/SquareMatrix3.hpp"

namespace oopse {

/**
 * @class DirectionalAtomType 
 *
 * DirectionalAtomType is what OOPSE looks to for unchanging data
 * about a directional atoms. 
 */
class DirectionalAtomType : public AtomType {

    public:

        DirectionalAtomType() : AtomType() { atp.is_Directional = 1; }

        Mat3x3d getI() {return I;}

        void    setI(Mat3x3d theI) {I = theI;}

        RotMat3x3d getElectroBodyFrame() {
            return electroBodyFrame_;
        }

        void setElectroBodyFrame(const RotMat3x3d& electroBodyFrame) {
            electroBodyFrame_ =electroBodyFrame;
        }

        void    setDipole() { atp.is_Dipole = 1; }

        void setQuadrupole() { atp.is_Quadrupole = 1; }

        void    setGayBerne() { atp.is_GayBerne = 1; }

        void    setSticky() { atp.is_Sticky = 1; }

        void    setShape() { atp.is_Shape = 1;}

        virtual void complete();

    private:

        Mat3x3d I;
        RotMat3x3d electroBodyFrame_;
};


struct StickyParam {
double w0;
double v0;
double v0p;
double rl;
double ru;
double rlp;
double rup;
};

typedef SimpleTypeData<StickyParam> StickyParamGenericData;

typedef SimpleTypeData<Vector3d> Vector3dGenericData;
  
}
#endif
Revision:	1813
Committed:	Wed Dec 1 17:38:32 2004 UTC (19 years, 9 months ago) by tim
File size:	1347 byte(s)
Log Message:	refactory AtomType
#	User	Rev	Content
1	gezelter	1632	#ifndef TYPES_DIRECTIONALATOMTYPE_HPP
2			#define TYPES_DIRECTIONALATOMTYPE_HPP
3
4			#include "types/AtomType.hpp"
5			#include "math/SquareMatrix3.hpp"
6
7			namespace oopse {
8
9	tim	1813	/**
10			* @class DirectionalAtomType
11			*
12			* DirectionalAtomType is what OOPSE looks to for unchanging data
13			* about a directional atoms.
14			*/
15			class DirectionalAtomType : public AtomType {
16	gezelter	1632
17	tim	1813	public:
18	gezelter	1632
19	tim	1813	DirectionalAtomType() : AtomType() { atp.is_Directional = 1; }
20	gezelter	1632
21	tim	1813	Mat3x3d getI() {return I;}
22	gezelter	1634
23	tim	1813	void setI(Mat3x3d theI) {I = theI;}
24	gezelter	1652
25	tim	1813	RotMat3x3d getElectroBodyFrame() {
26			return electroBodyFrame_;
27			}
28	tim	1765
29	tim	1813	void setElectroBodyFrame(const RotMat3x3d& electroBodyFrame) {
30			electroBodyFrame_ =electroBodyFrame;
31			}
32	tim	1765
33	tim	1813	void setDipole() { atp.is_Dipole = 1; }
34	tim	1765
35	tim	1813	void setQuadrupole() { atp.is_Quadrupole = 1; }
36
37			void setGayBerne() { atp.is_GayBerne = 1; }
38
39			void setSticky() { atp.is_Sticky = 1; }
40
41			void setShape() { atp.is_Shape = 1;}
42
43			virtual void complete();
44
45			private:
46
47			Mat3x3d I;
48			RotMat3x3d electroBodyFrame_;
49			};
50
51
52			struct StickyParam {
53			double w0;
54			double v0;
55			double v0p;
56			double rl;
57			double ru;
58			double rlp;
59			double rup;
60			};
61
62			typedef SimpleTypeData<StickyParam> StickyParamGenericData;
63
64			typedef SimpleTypeData<Vector3d> Vector3dGenericData;
65
66	gezelter	1632	}
67			#endif