src/UseTheForce/ForceFieldFactory.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 "UseTheForce/ForceFieldFactory.hpp"
#include "UseTheForce/ForceFieldCreator.hpp"

namespace OpenMD {

  //initialize instance of ForceFieldFactory
  ForceFieldFactory* ForceFieldFactory::instance_ = NULL;

  ForceFieldFactory::~ForceFieldFactory() {
    CreatorMapType::iterator i;
    for (i = creatorMap_.begin(); i != creatorMap_.end(); ++i) {
      delete i->second;
    }
    creatorMap_.clear();
  }

  bool ForceFieldFactory::registerForceField(ForceFieldCreator* creator) {
    return creatorMap_.insert(
                              CreatorMapType::value_type(creator->getIdent(), creator)).second;
  }

  bool ForceFieldFactory::unregisterForceField(const std::string& id) {
    return creatorMap_.erase(id) == 1;
  }

  ForceField* ForceFieldFactory::createForceField(const std::string& id) {
    CreatorMapType::iterator i = creatorMap_.find(id);
    if (i != creatorMap_.end()) {
      //invoke functor to create object
      return (i->second)->create();
    } else {
      return NULL;
    }
  }

  std::vector<std::string> ForceFieldFactory::getIdents() {
    IdentVectorType idents;
    CreatorMapType::iterator i;

    for (i = creatorMap_.begin(); i != creatorMap_.end(); ++i) {
      idents.push_back(i->first);
    }
    
    return idents;
  }

  std::ostream& operator <<(std::ostream& o, ForceFieldFactory& factory) {
    ForceFieldFactory::IdentVectorType idents;
    ForceFieldFactory::IdentVectorIterator i;

    idents = factory.getIdents();

    o << "Avaliable type identifiers in this factory: " << std::endl;
    for (i = idents.begin(); i != idents.end(); ++i) {
      o << *i << std::endl;
    }

    return o;
  }

}
Revision:	1390
Committed:	Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
File size:	3758 byte(s)
Log Message:	Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4)
#	User	Rev	Content
1	gezelter	507	/*
2	gezelter	246	* 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	gezelter	246	* notice, this list of conditions and the following disclaimer.
11			*
12	gezelter	1390	* 2. Redistributions in binary form must reproduce the above copyright
13	gezelter	246	* 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			* [4] Vardeman & Gezelter, in progress (2009).
40	gezelter	246	*/
41
42			#include "UseTheForce/ForceFieldFactory.hpp"
43			#include "UseTheForce/ForceFieldCreator.hpp"
44
45	gezelter	1390	namespace OpenMD {
46	gezelter	246
47	gezelter	507	//initialize instance of ForceFieldFactory
48			ForceFieldFactory* ForceFieldFactory::instance_ = NULL;
49	gezelter	246
50	gezelter	507	ForceFieldFactory::~ForceFieldFactory() {
51	gezelter	246	CreatorMapType::iterator i;
52			for (i = creatorMap_.begin(); i != creatorMap_.end(); ++i) {
53	gezelter	507	delete i->second;
54	gezelter	246	}
55			creatorMap_.clear();
56	gezelter	507	}
57	gezelter	246
58	gezelter	507	bool ForceFieldFactory::registerForceField(ForceFieldCreator* creator) {
59	gezelter	246	return creatorMap_.insert(
60	gezelter	507	CreatorMapType::value_type(creator->getIdent(), creator)).second;
61			}
62	gezelter	246
63	gezelter	507	bool ForceFieldFactory::unregisterForceField(const std::string& id) {
64	gezelter	246	return creatorMap_.erase(id) == 1;
65	gezelter	507	}
66	gezelter	246
67	gezelter	507	ForceField* ForceFieldFactory::createForceField(const std::string& id) {
68	gezelter	246	CreatorMapType::iterator i = creatorMap_.find(id);
69			if (i != creatorMap_.end()) {
70	gezelter	507	//invoke functor to create object
71			return (i->second)->create();
72	gezelter	246	} else {
73	gezelter	507	return NULL;
74	gezelter	246	}
75	gezelter	507	}
76	gezelter	246
77	gezelter	507	std::vector<std::string> ForceFieldFactory::getIdents() {
78	gezelter	246	IdentVectorType idents;
79			CreatorMapType::iterator i;
80
81			for (i = creatorMap_.begin(); i != creatorMap_.end(); ++i) {
82	gezelter	507	idents.push_back(i->first);
83	gezelter	246	}
84
85			return idents;
86	gezelter	507	}
87	gezelter	246
88	gezelter	507	std::ostream& operator <<(std::ostream& o, ForceFieldFactory& factory) {
89	gezelter	246	ForceFieldFactory::IdentVectorType idents;
90			ForceFieldFactory::IdentVectorIterator i;
91
92			idents = factory.getIdents();
93
94			o << "Avaliable type identifiers in this factory: " << std::endl;
95			for (i = idents.begin(); i != idents.end(); ++i) {
96	gezelter	507	o << *i << std::endl;
97	gezelter	246	}
98
99			return o;
100	gezelter	507	}
101	gezelter	246
102			}