src/primitives/ShortRangeInteraction.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 "primitives/ShortRangeInteraction.hpp"

namespace OpenMD {

  ShortRangeInteraction::ShortRangeInteraction() : globalIndex_(-1), 
                                                   localIndex_(-1) {
  }

  ShortRangeInteraction::~ShortRangeInteraction() {
  }

  RealType ShortRangeInteraction::getValue() {
    int id = snapshotMan_->getCurrentSnapshot()->getID();
    return getValue(id);
  }

  RealType ShortRangeInteraction::getPrevValue() {
    int id = snapshotMan_->getPrevSnapshot()->getID();
    return getValue(id);
  }

  void ShortRangeInteraction::addProperty(GenericData* genData) {
    properties_.addProperty(genData);  
  }
  
  void ShortRangeInteraction::removeProperty(const std::string& propName) {
    properties_.removeProperty(propName);  
  }
  
  void ShortRangeInteraction::clearProperties() {
    properties_.clearProperties(); 
  }
  
  std::vector<std::string> ShortRangeInteraction::getPropertyNames() {
    return properties_.getPropertyNames();  
  }
  
  std::vector<GenericData*> ShortRangeInteraction::getProperties() { 
    return properties_.getProperties(); 
  }
  
  GenericData* ShortRangeInteraction::getPropertyByName(const std::string& propName) {
    return properties_.getPropertyByName(propName); 
  }   
}
Revision:	1953
Committed:	Thu Dec 5 18:19:26 2013 UTC (11 years, 5 months ago) by gezelter
File size:	3448 byte(s)
Log Message:	Rewrote much of selection module, added a bond correlation function
#	User	Rev	Content
1	gezelter	1953	/*
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, 234107 (2008).
39			* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40			* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41			*/
42
43			#include "primitives/ShortRangeInteraction.hpp"
44
45			namespace OpenMD {
46
47			ShortRangeInteraction::ShortRangeInteraction() : globalIndex_(-1),
48			localIndex_(-1) {
49			}
50
51			ShortRangeInteraction::~ShortRangeInteraction() {
52			}
53
54			RealType ShortRangeInteraction::getValue() {
55			int id = snapshotMan_->getCurrentSnapshot()->getID();
56			return getValue(id);
57			}
58
59			RealType ShortRangeInteraction::getPrevValue() {
60			int id = snapshotMan_->getPrevSnapshot()->getID();
61			return getValue(id);
62			}
63
64			void ShortRangeInteraction::addProperty(GenericData* genData) {
65			properties_.addProperty(genData);
66			}
67
68			void ShortRangeInteraction::removeProperty(const std::string& propName) {
69			properties_.removeProperty(propName);
70			}
71
72			void ShortRangeInteraction::clearProperties() {
73			properties_.clearProperties();
74			}
75
76			std::vector<std::string> ShortRangeInteraction::getPropertyNames() {
77			return properties_.getPropertyNames();
78			}
79
80			std::vector<GenericData*> ShortRangeInteraction::getProperties() {
81			return properties_.getProperties();
82			}
83
84			GenericData* ShortRangeInteraction::getPropertyByName(const std::string& propName) {
85			return properties_.getPropertyByName(propName);
86			}
87			}