applications/hydrodynamics/AnalyticalModel.cpp

/*
 * 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.
 */
#include "applications/hydrodynamics/AnalyticalModel.hpp"
#include "hydrodynamics/Sphere.hpp"
#include "hydrodynamics/Ellipsoid.hpp"
#include "applications/hydrodynamics/CompositeShape.hpp"
#include "math/LU.hpp"
namespace oopse {
  
  bool AnalyticalModel::calcHydroProps(Shape* shape, RealType viscosity, RealType temperature) {
    
    HydroProp* props;
    Sphere* sphere = dynamic_cast<Sphere*>(shape);        
    if (sphere != NULL) {
      props = sphere->getHydroProp(viscosity, temperature);
      setCR(props);
      setCD(props);
      return true;
    } else {
      Ellipsoid* ellipsoid = dynamic_cast<Ellipsoid*>(shape);        
      if (ellipsoid != NULL) {
        props = ellipsoid->getHydroProp(viscosity, temperature); 
        setCR(props);
        setCD(props);
        return true;
      } else {
        CompositeShape* composite = dynamic_cast<CompositeShape*>(shape);
        if (composite != NULL) {
          return false;
        } else {
          sprintf( painCave.errMsg,
                   "Could not figure out what kind of shape this is!\n");
          painCave.severity = OOPSE_ERROR;
          painCave.isFatal = 1;
          simError();    
          return false;
        }
      }
    }          
  }
    
  void AnalyticalModel::writeBeads(std::ostream& os) {
    os << "1\n";
    os << "Generated by Hydro\n";
    Vector3d pos = sd_->getPos();
    os << sd_->getType() << "\t" << pos[0] << "\t" << pos[1] << "\t" << pos[2] << std::endl;
  }   
}
Revision:	2787
Committed:	Mon Jun 5 18:24:45 2006 UTC (18 years, 3 months ago) by gezelter
File size:	3564 byte(s)
Log Message:	Massive changes for GB code with multiple ellipsoid types (a la Cleaver's paper). Also, changes in hydrodynamics code to make HydroProp a somewhat smarter class (rather than just a struct).
#	User	Rev	Content
1	tim	2634	/*
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	gezelter	2768	#include "applications/hydrodynamics/AnalyticalModel.hpp"
42	gezelter	2752	#include "hydrodynamics/Sphere.hpp"
43			#include "hydrodynamics/Ellipsoid.hpp"
44	gezelter	2768	#include "applications/hydrodynamics/CompositeShape.hpp"
45	tim	2634	#include "math/LU.hpp"
46			namespace oopse {
47	gezelter	2752
48	gezelter	2768	bool AnalyticalModel::calcHydroProps(Shape* shape, RealType viscosity, RealType temperature) {
49	gezelter	2752
50	gezelter	2787	HydroProp* props;
51	gezelter	2768	Sphere* sphere = dynamic_cast<Sphere*>(shape);
52			if (sphere != NULL) {
53	gezelter	2787	props = sphere->getHydroProp(viscosity, temperature);
54	gezelter	2768	setCR(props);
55			setCD(props);
56			return true;
57			} else {
58			Ellipsoid* ellipsoid = dynamic_cast<Ellipsoid*>(shape);
59			if (ellipsoid != NULL) {
60	gezelter	2787	props = ellipsoid->getHydroProp(viscosity, temperature);
61	gezelter	2768	setCR(props);
62			setCD(props);
63			return true;
64			} else {
65			CompositeShape* composite = dynamic_cast<CompositeShape*>(shape);
66			if (composite != NULL) {
67			return false;
68			} else {
69			sprintf( painCave.errMsg,
70			"Could not figure out what kind of shape this is!\n");
71			painCave.severity = OOPSE_ERROR;
72			painCave.isFatal = 1;
73			simError();
74			return false;
75			}
76			}
77			}
78			}
79	tim	2634
80	gezelter	2752	void AnalyticalModel::writeBeads(std::ostream& os) {
81	tim	2665	os << "1\n";
82			os << "Generated by Hydro\n";
83			Vector3d pos = sd_->getPos();
84			os << sd_->getType() << "\t" << pos[0] << "\t" << pos[1] << "\t" << pos[2] << std::endl;
85	gezelter	2752	}
86	tim	2665	}