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root/OpenMD/trunk/src/utils/ParameterManager.hpp
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Comparing trunk/src/utils/ParameterManager.hpp (file contents):
Revision 1389 by gezelter, Wed Oct 22 20:01:49 2008 UTC vs.
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC

# Line 6 | Line 6
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
9 > * 1. Redistributions of source code must retain the above copyright
10   *    notice, this list of conditions and the following disclaimer.
11   *
12 < * 3. Redistributions in binary form must reproduce the above copyright
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.
# Line 38 | Line 29
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   *  ParameterManager.hpp
43 – *  OOPSE-2.0
42   *
43   *  Created by Charles F. Vardeman II on 11/16/05.
44   *  @author  Charles F. Vardeman II
45 < *  @version $Id: ParameterManager.hpp,v 1.5 2008-10-22 20:01:49 gezelter Exp $
45 > *  @version $Id: ParameterManager.hpp,v 1.6 2009-11-25 20:02:04 gezelter Exp $
46   *
47   */
48  
# Line 85 | Line 83 | struct ParameterTraits<bool>{
83    template<typename T> static bool    convert(T, RepType&){return false;}
84    template<typename T> static RepType convert(T v)        {RepType tmp; convert(v,tmp);return tmp;}
85    static bool convert(std::string v, RepType& r) {
86 <    oopse::toLower(v);
86 >    OpenMD::toLower(v);
87      bool result = false;
88      if (v == "true") {
89        r = true;
# Line 141 | Line 139 | struct ParameterTraits<std::pair<int, int> >{
139    template<typename T> static RepType convert(T v)        {RepType tmp; convert(v,tmp);return tmp;}
140    static bool convert(RepType v, RepType& r)            {r=v; return true;}
141    static bool convert(std::string v, RepType& r) {
142 <    oopse::StringTokenizer tokenizer(v," ;,\t\n\r");
142 >    OpenMD::StringTokenizer tokenizer(v," ;,\t\n\r");
143      if (tokenizer.countTokens() == 2) {
144        int atom1 = tokenizer.nextTokenAsInt();
145        int atom2 = tokenizer.nextTokenAsInt();
# Line 151 | Line 149 | struct ParameterTraits<std::pair<int, int> >{
149        sprintf(painCave.errMsg,
150                "ParameterManager Error: "
151                "Not enough tokens to make pair!\n");
152 <      painCave.severity = OOPSE_ERROR;
152 >      painCave.severity = OPENMD_ERROR;
153        painCave.isFatal = 1;
154        simError();    
155      }
# Line 251 | Line 249 | parameters_.insert(std::map<std::string, ParameterBase
249   parameters_.insert(std::map<std::string, ParameterBase*>::value_type(std::string(KEYWORD), static_cast<ParameterBase*>(&NAME)));
250  
251   #define CheckParameter(NAME, CONSTRAINT)                              \
252 < if (!NAME.empty()) { if (!(CONSTRAINT)(NAME.getData())) { sprintf(painCave.errMsg,"Error in checking %s : should be %s\n",NAME.getKeyword().c_str(),(CONSTRAINT).getConstraintDescription().c_str()); painCave.isFatal = 1; painCave.severity = OOPSE_ERROR; simError();} }                
252 > if (!NAME.empty()) { if (!(CONSTRAINT)(NAME.getData())) { sprintf(painCave.errMsg,"Error in checking %s : should be %s\n",NAME.getKeyword().c_str(),(CONSTRAINT).getConstraintDescription().c_str()); painCave.isFatal = 1; painCave.severity = OPENMD_ERROR; simError();} }                
253  
254  
255  

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