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root/group/trunk/OOPSE-4/src/applications/hydrodynamics/CompositeShape.cpp
Revision: 2787
Committed: Mon Jun 5 18:24:45 2006 UTC (18 years, 1 month ago) by gezelter
File size: 3809 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).

File Contents

# 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    
42     #include "applications/hydrodynamics/CompositeShape.hpp"
43     #include "utils/MemoryUtils.hpp"
44     #include "applications/hydrodynamics/HydrodynamicsModel.hpp"
45     namespace oopse {
46 gezelter 2768
47     CompositeShape::~CompositeShape() {
48 tim 2634 MemoryUtils::deletePointers(shapes_);
49 gezelter 2768 }
50     bool CompositeShape::isInterior(Vector3d pos) {
51 tim 2634 bool result = false;
52     std::vector<Shape*>::iterator iter;
53     for (iter = shapes_.begin(); iter != shapes_.end(); ++ iter) {
54 gezelter 2768 if ((*iter)->isInterior(pos)) {
55     result = true;
56     break;
57     }
58 tim 2634 }
59 gezelter 2768
60 tim 2634 return result;
61 gezelter 2768 }
62    
63     template<class Cont, class Predict>
64     void swap_if(Cont& b1, Cont& b2, Predict predict) {
65 tim 2634 unsigned int size = b1.size();
66     assert(size == b2.size());
67     for (unsigned int i = 0 ; i < size; ++i) {
68 gezelter 2768 if (predict(b1[i], b2[i]))
69     std::swap(b1[i], b2[i]);
70 tim 2634 }
71 gezelter 2768
72     }
73    
74     std::pair<Vector3d, Vector3d> CompositeShape::getBoundingBox() {
75 tim 2634 std::vector<Shape*>::iterator iter = shapes_.begin();
76 gezelter 2768 std::pair<Vector3d, Vector3d> boundary = (*iter)->getBoundingBox();
77 tim 2634 for (++iter; iter != shapes_.end(); ++iter) {
78 gezelter 2768 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 tim 2634 }
82 gezelter 2768
83 tim 2634 return boundary;
84 gezelter 2768 }
85    
86 gezelter 2787 HydroProp* CompositeShape::getHydroProp(RealType viscosity, RealType temperature) {
87     HydroProp* props;
88     props->setCOR(V3Zero);
89 gezelter 2768 sprintf( painCave.errMsg,
90     "CompositeShape was asked to return an analytic HydroProps.\n");
91     painCave.severity = OOPSE_ERROR;
92     painCave.isFatal = 1;
93     simError();
94     return props;
95     }
96 tim 2634 }