applications/hydrodynamics/CompositeShape.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, 24107 (2008).          
 * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 */

#include "applications/hydrodynamics/CompositeShape.hpp" 
#include "utils/MemoryUtils.hpp"
#include "applications/hydrodynamics/HydrodynamicsModel.hpp"
namespace OpenMD {
  
  CompositeShape::~CompositeShape() {
    MemoryUtils::deletePointers(shapes_);
  }
  bool CompositeShape::isInterior(Vector3d pos) {
    bool result = false;
    std::vector<Shape*>::iterator iter;
    for (iter = shapes_.begin(); iter != shapes_.end(); ++ iter) {
      if ((*iter)->isInterior(pos)) {
        result = true;
        break;
      }
    }
    
    return result;
  }
  
  template<class Cont, class Predict>
  void swap_if(Cont& b1, Cont& b2, Predict predict) {
    unsigned int size = b1.size();
    assert(size == b2.size());
    for (unsigned int i = 0 ; i < size; ++i) {
      if (predict(b1[i], b2[i]))
        std::swap(b1[i], b2[i]);
    }
    
  }
  
  std::pair<Vector3d, Vector3d> CompositeShape::getBoundingBox() {
    std::vector<Shape*>::iterator iter = shapes_.begin();
    std::pair<Vector3d, Vector3d>  boundary = (*iter)->getBoundingBox();
    for (++iter; iter != shapes_.end(); ++iter) {
      std::pair<Vector3d, Vector3d> currBoundary = (*iter)->getBoundingBox();
      swap_if(boundary.first, currBoundary.first, std::greater<RealType>());
      swap_if(boundary.second, currBoundary.second, std::less<RealType>());        
    }
    
    return boundary;
  }
  
  HydroProp* CompositeShape::getHydroProp(RealType viscosity, RealType temperature) {
    HydroProp* props = new HydroProp();
    props->setCOR(V3Zero);
    sprintf( painCave.errMsg,
             "CompositeShape was asked to return an analytic HydroProps.\n");
    painCave.severity = OPENMD_ERROR;
    painCave.isFatal = 1;
    simError();          
    return props;
  }   
}
Revision:	1665
Committed:	Tue Nov 22 20:38:56 2011 UTC (13 years, 5 months ago) by gezelter
File size:	3936 byte(s)
Log Message:	updated copyright notices
#	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			* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	gezelter	1665	* [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
43			#include "applications/hydrodynamics/CompositeShape.hpp"
44			#include "utils/MemoryUtils.hpp"
45			#include "applications/hydrodynamics/HydrodynamicsModel.hpp"
46	gezelter	1390	namespace OpenMD {
47	gezelter	972
48			CompositeShape::~CompositeShape() {
49	tim	906	MemoryUtils::deletePointers(shapes_);
50	gezelter	972	}
51			bool CompositeShape::isInterior(Vector3d pos) {
52	tim	906	bool result = false;
53			std::vector<Shape*>::iterator iter;
54			for (iter = shapes_.begin(); iter != shapes_.end(); ++ iter) {
55	gezelter	972	if ((*iter)->isInterior(pos)) {
56			result = true;
57			break;
58			}
59	tim	906	}
60	gezelter	972
61	tim	906	return result;
62	gezelter	972	}
63
64			template<class Cont, class Predict>
65			void swap_if(Cont& b1, Cont& b2, Predict predict) {
66	tim	906	unsigned int size = b1.size();
67			assert(size == b2.size());
68			for (unsigned int i = 0 ; i < size; ++i) {
69	gezelter	972	if (predict(b1[i], b2[i]))
70			std::swap(b1[i], b2[i]);
71	tim	906	}
72	gezelter	972
73			}
74
75			std::pair<Vector3d, Vector3d> CompositeShape::getBoundingBox() {
76	tim	906	std::vector<Shape*>::iterator iter = shapes_.begin();
77	gezelter	972	std::pair<Vector3d, Vector3d> boundary = (*iter)->getBoundingBox();
78	tim	906	for (++iter; iter != shapes_.end(); ++iter) {
79	gezelter	972	std::pair<Vector3d, Vector3d> currBoundary = (*iter)->getBoundingBox();
80			swap_if(boundary.first, currBoundary.first, std::greater<RealType>());
81			swap_if(boundary.second, currBoundary.second, std::less<RealType>());
82	tim	906	}
83	gezelter	972
84	tim	906	return boundary;
85	gezelter	972	}
86
87	gezelter	981	HydroProp* CompositeShape::getHydroProp(RealType viscosity, RealType temperature) {
88	gezelter	1390	HydroProp* props = new HydroProp();
89	gezelter	981	props->setCOR(V3Zero);
90	gezelter	972	sprintf( painCave.errMsg,
91			"CompositeShape was asked to return an analytic HydroProps.\n");
92	gezelter	1390	painCave.severity = OPENMD_ERROR;
93	gezelter	972	painCave.isFatal = 1;
94			simError();
95			return props;
96			}
97	tim	906	}