applications/hydrodynamics/StuntDoubleShape.hpp

/*
 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
 *
 * The University of Notre Dame grants you ("Licensee") a
 * non-exclusive, royalty free, license to use, modify and
 * redistribute this software in source and binary code form, provided
 * that the following conditions are met:
 *
 * 1. Acknowledgement of the program authors must be made in any
 *    publication of scientific results based in part on use of the
 *    program.  An acceptable form of acknowledgement is citation of
 *    the article in which the program was described (Matthew
 *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
 *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
 *    Parallel Simulation Engine for Molecular Dynamics,"
 *    J. Comput. Chem. 26, pp. 252-271 (2005))
 *
 * 2. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 3. Redistributions in binary form must reproduce the above copyright
 *    notice, this list of conditions and the following disclaimer in the
 *    documentation and/or other materials provided with the
 *    distribution.
 *
 * This software is provided "AS IS," without a warranty of any
 * kind. All express or implied conditions, representations and
 * warranties, including any implied warranty of merchantability,
 * fitness for a particular purpose or non-infringement, are hereby
 * excluded.  The University of Notre Dame and its licensors shall not
 * be liable for any damages suffered by licensee as a result of
 * using, modifying or distributing the software or its
 * derivatives. In no event will the University of Notre Dame or its
 * licensors be liable for any lost revenue, profit or data, or for
 * direct, indirect, special, consequential, incidental or punitive
 * damages, however caused and regardless of the theory of liability,
 * arising out of the use of or inability to use software, even if the
 * University of Notre Dame has been advised of the possibility of
 * such damages.
 */

#ifndef APPLICATION_HYDRODYNAMICS_MOLECULESHAPE_HPP
#define APPLICATION_HYDRODYNAMICS_MOLECULESHAPE_HPP

#include "math/Vector3.hpp"
#include "primitives/Molecule.hpp"
namespace oopse {

/** @class Shape*/
class Shape {
    public:
        virtual bool isInterior(Vector3d pos) = 0;
        virtual std::pair<Vector3d, Vector3d> getBox() = 0;

};

/** @class Spheric */
class Spheric : public Shape {
    public:
        Spheric(Vector3d origin, double radius);
        virtual bool isInterior(Vector3d pos);
        virtual std::pair<Vector3d, Vector3d> getBox();
    private:
        Vector3d origin_;
        double radius_;
};

/** @class Ellipsoid */
class Ellipsoid : public Shape{
    public:
        Ellipsoid(Vector3d origin, double radius, double ratio, Mat3x3d rotMat);
        virtual bool isInterior(Vector3d pos);
        virtual std::pair<Vector3d, Vector3d> getBox();
     private:
        Vector3d origin_;
        double a_;
        double b_;
        Mat3x3d rotMat_;
};

/** @class StuntDoubleShape */
class StuntDoubleShape {
    public:
        StuntDoubleShape(StuntDouble* sd);
        ~StuntDoubleShape();
        std::pair<Vector3d, Vector3d> getBox();
        bool isInterior(Vector3d pos);
    private:
        Shape* createShape(Atom* atom);
        std::vector<Shape*> shapes_;
};

}

#endif
Revision:	2597
Committed:	Thu Feb 23 23:16:43 2006 UTC (18 years, 6 months ago) by tim
File size:	3397 byte(s)
Log Message:	Bead Model is working
#	User	Rev	Content
1	tim	2597	/*
2			* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3			*
4			* The University of Notre Dame grants you ("Licensee") a
5			* non-exclusive, royalty free, license to use, modify and
6			* redistribute this software in source and binary code form, provided
7			* that the following conditions are met:
8			*
9			* 1. Acknowledgement of the program authors must be made in any
10			* publication of scientific results based in part on use of the
11			* program. An acceptable form of acknowledgement is citation of
12			* the article in which the program was described (Matthew
13			* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14			* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15			* Parallel Simulation Engine for Molecular Dynamics,"
16			* J. Comput. Chem. 26, pp. 252-271 (2005))
17			*
18			* 2. Redistributions of source code must retain the above copyright
19			* notice, this list of conditions and the following disclaimer.
20			*
21			* 3. Redistributions in binary form must reproduce the above copyright
22			* notice, this list of conditions and the following disclaimer in the
23			* documentation and/or other materials provided with the
24			* distribution.
25			*
26			* This software is provided "AS IS," without a warranty of any
27			* kind. All express or implied conditions, representations and
28			* warranties, including any implied warranty of merchantability,
29			* fitness for a particular purpose or non-infringement, are hereby
30			* excluded. The University of Notre Dame and its licensors shall not
31			* be liable for any damages suffered by licensee as a result of
32			* using, modifying or distributing the software or its
33			* derivatives. In no event will the University of Notre Dame or its
34			* licensors be liable for any lost revenue, profit or data, or for
35			* direct, indirect, special, consequential, incidental or punitive
36			* damages, however caused and regardless of the theory of liability,
37			* arising out of the use of or inability to use software, even if the
38			* University of Notre Dame has been advised of the possibility of
39			* such damages.
40			*/
41
42			#ifndef APPLICATION_HYDRODYNAMICS_MOLECULESHAPE_HPP
43			#define APPLICATION_HYDRODYNAMICS_MOLECULESHAPE_HPP
44
45			#include "math/Vector3.hpp"
46			#include "primitives/Molecule.hpp"
47			namespace oopse {
48
49			/** @class Shape*/
50			class Shape {
51			public:
52			virtual bool isInterior(Vector3d pos) = 0;
53			virtual std::pair<Vector3d, Vector3d> getBox() = 0;
54
55			};
56
57			/** @class Spheric */
58			class Spheric : public Shape {
59			public:
60			Spheric(Vector3d origin, double radius);
61			virtual bool isInterior(Vector3d pos);
62			virtual std::pair<Vector3d, Vector3d> getBox();
63			private:
64			Vector3d origin_;
65			double radius_;
66			};
67
68			/** @class Ellipsoid */
69			class Ellipsoid : public Shape{
70			public:
71			Ellipsoid(Vector3d origin, double radius, double ratio, Mat3x3d rotMat);
72			virtual bool isInterior(Vector3d pos);
73			virtual std::pair<Vector3d, Vector3d> getBox();
74			private:
75			Vector3d origin_;
76			double a_;
77			double b_;
78			Mat3x3d rotMat_;
79			};
80
81			/** @class StuntDoubleShape */
82			class StuntDoubleShape {
83			public:
84			StuntDoubleShape(StuntDouble* sd);
85			~StuntDoubleShape();
86			std::pair<Vector3d, Vector3d> getBox();
87			bool isInterior(Vector3d pos);
88			private:
89			Shape* createShape(Atom* atom);
90			std::vector<Shape*> shapes_;
91			};
92
93			}
94
95			#endif