src/hydrodynamics/Ellipsoid.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 HYDRODYNAMICS_ELLIPSOID_HPP
#define HYDRODYNAMICS_ELLIPSOID_HPP
#include "hydrodynamics/Shape.hpp"
#include "math/SquareMatrix3.hpp"
namespace oopse {
  
  /** @class Ellipsoid 
   *
   * An ellipsoid in OOPSE is restricted to having two equal
   * equatorial semi-axes.  OOPSE treats the "special" axis as the
   * z-coordinate in the body fixed reference frame.  That is:
   *
   *   z^2 / a^2  +  (x^2 + y^2) / b^2   = 1
   *
   * If a >= b, the ellipsoid is a prolate spheroid, and if a < b, 
   * the ellipsoid is oblate.  Ellipsoids are specified in the constructor 
   * using an axial length (a), and a equatorial length (b).  A Vector3d 
   * can be used to position the center of the ellipsoid, and a rotation 
   * matrix can also be used to orient the ellipsoid to a preferred lab-fixed
   * coordinate frame.
   */
  class Ellipsoid : public Shape{
  public:
    Ellipsoid(Vector3d origin, RealType rAxial, RealType rEquatorial, Mat3x3d rotMat);
    virtual bool isInterior(Vector3d pos);
    virtual std::pair<Vector3d, Vector3d> getBoundingBox();
    virtual bool hasAnalyticalSolution() {return true;}
    
    virtual HydroProp* getHydroProp(RealType viscosity, RealType temperature);
    
    RealType getRAxial() {return rAxial_;}
    RealType getREquatorial() {return rEquatorial_;}
    RealType getRMajor() {return rMajor_;}
    RealType getRMinor() {return rMinor_;}
    
  private:
    
    Vector3d origin_;
    RealType rAxial_;
    RealType rEquatorial_;
    RealType rMajor_;
    RealType rMinor_;
    Mat3x3d rotMat_;
  };  
}

#endif
Revision:	3249
Committed:	Fri Oct 5 19:01:12 2007 UTC (16 years, 9 months ago) by xsun
File size:	3646 byte(s)
Log Message:	Fixed some temperature and conversion constant bugs in Sphere and Ellipsoid
#	User	Rev	Content
1	gezelter	2752	/*
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 HYDRODYNAMICS_ELLIPSOID_HPP
43			#define HYDRODYNAMICS_ELLIPSOID_HPP
44			#include "hydrodynamics/Shape.hpp"
45			#include "math/SquareMatrix3.hpp"
46			namespace oopse {
47
48	xsun	3249	/** @class Ellipsoid
49			*
50			* An ellipsoid in OOPSE is restricted to having two equal
51			* equatorial semi-axes. OOPSE treats the "special" axis as the
52			* z-coordinate in the body fixed reference frame. That is:
53			*
54			* z^2 / a^2 + (x^2 + y^2) / b^2 = 1
55			*
56			* If a >= b, the ellipsoid is a prolate spheroid, and if a < b,
57			* the ellipsoid is oblate. Ellipsoids are specified in the constructor
58			* using an axial length (a), and a equatorial length (b). A Vector3d
59			* can be used to position the center of the ellipsoid, and a rotation
60			* matrix can also be used to orient the ellipsoid to a preferred lab-fixed
61			* coordinate frame.
62			*/
63	gezelter	2752	class Ellipsoid : public Shape{
64			public:
65	xsun	3249	Ellipsoid(Vector3d origin, RealType rAxial, RealType rEquatorial, Mat3x3d rotMat);
66	gezelter	2752	virtual bool isInterior(Vector3d pos);
67			virtual std::pair<Vector3d, Vector3d> getBoundingBox();
68			virtual bool hasAnalyticalSolution() {return true;}
69
70	gezelter	2787	virtual HydroProp* getHydroProp(RealType viscosity, RealType temperature);
71	gezelter	2752
72	xsun	3249	RealType getRAxial() {return rAxial_;}
73			RealType getREquatorial() {return rEquatorial_;}
74	tim	2759	RealType getRMajor() {return rMajor_;}
75			RealType getRMinor() {return rMinor_;}
76	gezelter	2752
77			private:
78
79			Vector3d origin_;
80	xsun	3249	RealType rAxial_;
81			RealType rEquatorial_;
82	tim	2759	RealType rMajor_;
83			RealType rMinor_;
84	gezelter	2752	Mat3x3d rotMat_;
85			};
86			}
87
88			#endif