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]  Vardeman & Gezelter, in progress (2009).                        
 */

#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:	1390
Committed:	Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
File size:	3870 byte(s)
Log Message:	Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4)
#	Content
1	/*
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. Redistributions of source code must retain the above copyright
10	* notice, this list of conditions and the following disclaimer.
11	*
12	* 2. Redistributions in binary form must reproduce the above copyright
13	* 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	*
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	* [4] Vardeman & Gezelter, in progress (2009).
40	*/
41
42	#include "applications/hydrodynamics/CompositeShape.hpp"
43	#include "utils/MemoryUtils.hpp"
44	#include "applications/hydrodynamics/HydrodynamicsModel.hpp"
45	namespace OpenMD {
46
47	CompositeShape::~CompositeShape() {
48	MemoryUtils::deletePointers(shapes_);
49	}
50	bool CompositeShape::isInterior(Vector3d pos) {
51	bool result = false;
52	std::vector<Shape*>::iterator iter;
53	for (iter = shapes_.begin(); iter != shapes_.end(); ++ iter) {
54	if ((*iter)->isInterior(pos)) {
55	result = true;
56	break;
57	}
58	}
59
60	return result;
61	}
62
63	template<class Cont, class Predict>
64	void swap_if(Cont& b1, Cont& b2, Predict predict) {
65	unsigned int size = b1.size();
66	assert(size == b2.size());
67	for (unsigned int i = 0 ; i < size; ++i) {
68	if (predict(b1[i], b2[i]))
69	std::swap(b1[i], b2[i]);
70	}
71
72	}
73
74	std::pair<Vector3d, Vector3d> CompositeShape::getBoundingBox() {
75	std::vector<Shape*>::iterator iter = shapes_.begin();
76	std::pair<Vector3d, Vector3d> boundary = (*iter)->getBoundingBox();
77	for (++iter; iter != shapes_.end(); ++iter) {
78	std::pair<Vector3d, Vector3d> currBoundary = (*iter)->getBoundingBox();
79	swap_if(boundary.first, currBoundary.first, std::greater<RealType>());
80	swap_if(boundary.second, currBoundary.second, std::less<RealType>());
81	}
82
83	return boundary;
84	}
85
86	HydroProp* CompositeShape::getHydroProp(RealType viscosity, RealType temperature) {
87	HydroProp* props = new HydroProp();
88	props->setCOR(V3Zero);
89	sprintf( painCave.errMsg,
90	"CompositeShape was asked to return an analytic HydroProps.\n");
91	painCave.severity = OPENMD_ERROR;
92	painCave.isFatal = 1;
93	simError();
94	return props;
95	}
96	}