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. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 2. 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.
 *
 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the appropriate papers when you publish your
 * work.  Good starting points are:
 *                                                                      
 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
 * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
 * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 */
#include "applications/hydrodynamics/AnalyticalModel.hpp"
#include "hydrodynamics/Sphere.hpp"
#include "hydrodynamics/Ellipsoid.hpp"
#include "applications/hydrodynamics/CompositeShape.hpp"
#include "math/LU.hpp"
namespace OpenMD {
  
  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) {
//           props = composite->getHydroProp(viscosity, temperature); 
//           setCR(props);
//           setCD(props);
//           return true;
          return false;
        } else {
          sprintf( painCave.errMsg,
                   "Could not figure out what kind of shape this is!\n");
          painCave.severity = OPENMD_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:	1879
Committed:	Sun Jun 16 15:15:42 2013 UTC (11 years, 10 months ago) by gezelter
File size:	3825 byte(s)
Log Message:	MERGE OpenMD development 1783:1878 into trunk
#	User	Rev	Content
1	tim	906	/*
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	gezelter	1390	* 1. Redistributions of source code must retain the above copyright
10	tim	906	* notice, this list of conditions and the following disclaimer.
11			*
12	gezelter	1390	* 2. Redistributions in binary form must reproduce the above copyright
13	tim	906	* notice, this list of conditions and the following disclaimer in the
14			* documentation and/or other materials provided with the
15			* distribution.
16			*
17			* This software is provided "AS IS," without a warranty of any
18			* kind. All express or implied conditions, representations and
19			* warranties, including any implied warranty of merchantability,
20			* fitness for a particular purpose or non-infringement, are hereby
21			* excluded. The University of Notre Dame and its licensors shall not
22			* be liable for any damages suffered by licensee as a result of
23			* using, modifying or distributing the software or its
24			* derivatives. In no event will the University of Notre Dame or its
25			* licensors be liable for any lost revenue, profit or data, or for
26			* direct, indirect, special, consequential, incidental or punitive
27			* damages, however caused and regardless of the theory of liability,
28			* arising out of the use of or inability to use software, even if the
29			* University of Notre Dame has been advised of the possibility of
30			* such damages.
31	gezelter	1390	*
32			* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
33			* research, please cite the appropriate papers when you publish your
34			* work. Good starting points are:
35			*
36			* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37			* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	gezelter	1879	* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
39	gezelter	1782	* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40			* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41	tim	906	*/
42	gezelter	972	#include "applications/hydrodynamics/AnalyticalModel.hpp"
43	gezelter	956	#include "hydrodynamics/Sphere.hpp"
44			#include "hydrodynamics/Ellipsoid.hpp"
45	gezelter	972	#include "applications/hydrodynamics/CompositeShape.hpp"
46	tim	906	#include "math/LU.hpp"
47	gezelter	1390	namespace OpenMD {
48	gezelter	956
49	gezelter	972	bool AnalyticalModel::calcHydroProps(Shape* shape, RealType viscosity, RealType temperature) {
50	gezelter	956
51	gezelter	981	HydroProp* props;
52	gezelter	972	Sphere* sphere = dynamic_cast<Sphere*>(shape);
53			if (sphere != NULL) {
54	gezelter	981	props = sphere->getHydroProp(viscosity, temperature);
55	gezelter	972	setCR(props);
56			setCD(props);
57			return true;
58			} else {
59			Ellipsoid* ellipsoid = dynamic_cast<Ellipsoid*>(shape);
60			if (ellipsoid != NULL) {
61	gezelter	981	props = ellipsoid->getHydroProp(viscosity, temperature);
62	gezelter	972	setCR(props);
63			setCD(props);
64			return true;
65			} else {
66			CompositeShape* composite = dynamic_cast<CompositeShape*>(shape);
67			if (composite != NULL) {
68	xsun	1208	// props = composite->getHydroProp(viscosity, temperature);
69			// setCR(props);
70			// setCD(props);
71			// return true;
72	gezelter	972	return false;
73			} else {
74			sprintf( painCave.errMsg,
75			"Could not figure out what kind of shape this is!\n");
76	gezelter	1390	painCave.severity = OPENMD_ERROR;
77	gezelter	972	painCave.isFatal = 1;
78			simError();
79			return false;
80			}
81			}
82			}
83			}
84	tim	906
85	gezelter	956	void AnalyticalModel::writeBeads(std::ostream& os) {
86	tim	915	os << "1\n";
87			os << "Generated by Hydro\n";
88			Vector3d pos = sd_->getPos();
89			os << sd_->getType() << "\t" << pos[0] << "\t" << pos[1] << "\t" << pos[2] << std::endl;
90	gezelter	956	}
91	tim	915	}