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:	1442
Committed:	Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
File size:	3758 byte(s)
Log Message:	Adding property set to svn entries
#	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 "UseTheForce/ForceFieldFactory.hpp"
43	#include "UseTheForce/ForceFieldCreator.hpp"
44
45	namespace OpenMD {
46
47	//initialize instance of ForceFieldFactory
48	ForceFieldFactory* ForceFieldFactory::instance_ = NULL;
49
50	ForceFieldFactory::~ForceFieldFactory() {
51	CreatorMapType::iterator i;
52	for (i = creatorMap_.begin(); i != creatorMap_.end(); ++i) {
53	delete i->second;
54	}
55	creatorMap_.clear();
56	}
57
58	bool ForceFieldFactory::registerForceField(ForceFieldCreator* creator) {
59	return creatorMap_.insert(
60	CreatorMapType::value_type(creator->getIdent(), creator)).second;
61	}
62
63	bool ForceFieldFactory::unregisterForceField(const std::string& id) {
64	return creatorMap_.erase(id) == 1;
65	}
66
67	ForceField* ForceFieldFactory::createForceField(const std::string& id) {
68	CreatorMapType::iterator i = creatorMap_.find(id);
69	if (i != creatorMap_.end()) {
70	//invoke functor to create object
71	return (i->second)->create();
72	} else {
73	return NULL;
74	}
75	}
76
77	std::vector<std::string> ForceFieldFactory::getIdents() {
78	IdentVectorType idents;
79	CreatorMapType::iterator i;
80
81	for (i = creatorMap_.begin(); i != creatorMap_.end(); ++i) {
82	idents.push_back(i->first);
83	}
84
85	return idents;
86	}
87
88	std::ostream& operator <<(std::ostream& o, ForceFieldFactory& factory) {
89	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	o << *i << std::endl;
97	}
98
99	return o;
100	}
101
102	}