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, 4 months ago) by gezelter
File size:	3448 byte(s)
Log Message:	Rewrote much of selection module, added a bond correlation function
#	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, 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	}