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Comparing trunk/src/utils/ParameterManager.hpp (file contents):
Revision 1291 by gezelter, Thu Sep 11 19:40:59 2008 UTC vs.
Revision 2026 by gezelter, Wed Oct 22 12:23:59 2014 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, 234107 (2008).          
39 + * [4] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40   *
42 – *  ParameterManager.hpp
43 – *  OOPSE-2.0
44 – *
45 – *  Created by Charles F. Vardeman II on 11/16/05.
46 – *  @author  Charles F. Vardeman II
47 – *  @version $Id: ParameterManager.hpp,v 1.4 2008-09-11 19:40:59 gezelter Exp $
48 – *
41   */
42  
43   #ifndef UTILS_PARAMETERMANAGER_HPP
44   #define UTILS_PARAMETERMANAGER_HPP
45  
46   #include <iostream>
47 + #include <cstdio>
48  
49   #include <stdlib.h>
50   #include <vector>
# Line 64 | Line 57
57   #include "utils/StringTokenizer.hpp"
58   #include "utils/CaseConversion.hpp"
59  
60 +
61   template<typename T>
62   struct ParameterTraits;
63  
# Line 84 | Line 78 | struct ParameterTraits<bool>{
78    template<typename T> static bool    convert(T, RepType&){return false;}
79    template<typename T> static RepType convert(T v)        {RepType tmp; convert(v,tmp);return tmp;}
80    static bool convert(std::string v, RepType& r) {
81 <    oopse::toLower(v);
81 >    OpenMD::toLower(v);
82      bool result = false;
83      if (v == "true") {
84        r = true;
# Line 109 | Line 103 | struct ParameterTraits<int>{
103    static std::string getParamType() { return "int";}  
104   };
105  
106 + //int  
107 + template<>
108 + struct ParameterTraits<unsigned long int>{
109 +  typedef unsigned long int RepType;
110 +  template<typename T> static bool    convert(T, RepType&){return false;}
111 +  template<typename T> static RepType convert(T v)        {RepType tmp; convert(v,tmp);return tmp;}
112 +  static bool convert(RepType v, RepType& r)            { r=v; return true;}
113 +  static bool convert(int v, RepType& r)                {r = static_cast<unsigned long int>(v); return true;}
114 +  static std::string getParamType() { return "unsigned long int";}  
115 + };
116 +
117   //RealType
118   template<>                    
119   struct ParameterTraits<RealType>{
# Line 117 | Line 122 | struct ParameterTraits<RealType>{
122    template<typename T> static RepType convert(T v)        {RepType tmp; convert(v,tmp);return tmp;}
123    static bool convert(RepType v, RepType& r)            {r=v; return true;}
124    static bool convert(int v, RepType& r)                {r = static_cast<RealType>(v); return true;}
125 +  static bool convert(unsigned long int v, RepType& r)  {r = static_cast<RealType>(v); return true;}
126    static std::string getParamType() { return "RealType";}    
127   };
128  
# Line 128 | Line 134 | struct ParameterTraits<std::pair<int, int> >{
134    template<typename T> static RepType convert(T v)        {RepType tmp; convert(v,tmp);return tmp;}
135    static bool convert(RepType v, RepType& r)            {r=v; return true;}
136    static bool convert(std::string v, RepType& r) {
137 <    oopse::StringTokenizer tokenizer(v," ;,\t\n\r");
137 >    OpenMD::StringTokenizer tokenizer(v," ;,\t\n\r");
138      if (tokenizer.countTokens() == 2) {
139        int atom1 = tokenizer.nextTokenAsInt();
140        int atom2 = tokenizer.nextTokenAsInt();
# Line 137 | Line 143 | struct ParameterTraits<std::pair<int, int> >{
143      } else {
144        sprintf(painCave.errMsg,
145                "ParameterManager Error: "
146 <              "Not enough tokens to make pair!\n");
147 <      painCave.severity = OOPSE_ERROR;
146 >              "Incorrect number of tokens to make a pair!\n");
147 >      painCave.severity = OPENMD_ERROR;
148        painCave.isFatal = 1;
149        simError();    
150      }
# Line 148 | Line 154 | struct ParameterTraits<std::pair<int, int> >{
154   };
155  
156  
157 + template<>                    
158 + struct ParameterTraits<std::vector<RealType> >{
159 +  typedef std::vector<RealType>  RepType;
160 +  template<typename T> static bool    convert(T, RepType&){return false;}
161 +  template<typename T> static RepType convert(T v)        {RepType tmp; convert(v,tmp);return tmp;}
162 +  static bool convert(RepType v, RepType& r)            {r=v; return true;}
163 +  static bool convert(std::string v, RepType& r) {
164 +    std::cerr << "calling tokenizer\n";
165 +    OpenMD::StringTokenizer tokenizer(v," ();,\t\n\r");
166 +    unsigned int size = tokenizer.countTokens();
167 +    r = std::vector<RealType>( size, 0.0 );
168 +    for (unsigned int i = 0; i < size; i++) {
169 +      RealType v = tokenizer.nextTokenAsDouble();
170 +      r[i] = v;
171 +    }
172 +    return true;
173 +  }
174 +  static std::string getParamType() {return "std::vector<RealType>"; }
175 + };
176 +
177 +
178   class ParameterBase {
179   public:    
180    ParameterBase() : keyword_(), optional_(false), defaultValue_(false), empty_(true) {}
# Line 161 | Line 188 | class ParameterBase { (public)
188    bool empty() {return empty_;}
189    virtual bool setData(std::string) = 0;
190    virtual bool setData(int) = 0;
191 +  virtual bool setData(unsigned long int) = 0;
192    virtual bool setData(RealType) = 0;
193    virtual bool setData(std::pair<int, int>) = 0;
194 +  virtual bool setData(std::vector<RealType>) = 0;
195    virtual std::string getParamType() = 0;
196   protected:
197 <    std::string keyword_;
197 >  std::string keyword_;
198    bool optional_;
199    bool defaultValue_;
200    bool empty_;
# Line 175 | Line 204 | class Parameter : public ParameterBase{ (public)
204   class Parameter : public ParameterBase{
205   public:    
206    typedef ParameterTraits<ParamType> ValueType;
207 <  void setDefaultValue(const ParamType& value) {data_ = value; defaultValue_ = true;}
207 >  void setDefaultValue(const ParamType& value) {data_ = value; defaultValue_ = true; empty_ = false;}
208    ParamType getData() { return data_;}
209    
210    virtual bool setData(std::string sval) {
# Line 184 | Line 213 | class Parameter : public ParameterBase{ (public)
213    virtual bool setData(int ival) {
214      return internalSetData<int>(ival);
215    }
216 <  
216 >  virtual bool setData(unsigned long int lival) {
217 >    return internalSetData<unsigned long int>(lival);
218 >  }
219    virtual bool setData(RealType dval) {
220      return internalSetData<RealType>(dval);
221    }
191 –
222    virtual bool setData(std::pair<int, int> pval) {
223      return internalSetData<std::pair<int, int> >(pval);
224    }
225 +  virtual bool setData(std::vector<RealType> pval) {
226 +    return internalSetData<std::vector<RealType> >(pval);
227 +  }
228    
229    virtual std::string getParamType() { return ParameterTraits<ParamType>::getParamType();}
230   private:
# Line 217 | Line 250 | TYPE get##NAME() { return NAME.getData();}
250   bool have##NAME() { return !NAME.empty();}  \
251   TYPE get##NAME() { return NAME.getData();}
252  
253 + #define DeclareAlterableParameter(NAME, TYPE)         \
254 + private:                                                   \
255 + Parameter<TYPE> NAME;                                     \
256 + public:                                                      \
257 + bool have##NAME() { return !NAME.empty();}  \
258 + TYPE get##NAME() { return NAME.getData();}  \
259 + bool set##NAME(TYPE s) { return NAME.setData(s);}  \
260  
261  
262 +
263   #define DefineParameter(NAME,KEYWORD)                              \
264   NAME.setKeyword(KEYWORD);                  \
265   parameters_.insert(std::map<std::string, ParameterBase*>::value_type(std::string(KEYWORD), static_cast<ParameterBase*>(&NAME)));
# Line 232 | Line 273 | parameters_.insert(std::map<std::string, ParameterBase
273   parameters_.insert(std::map<std::string, ParameterBase*>::value_type(std::string(KEYWORD), static_cast<ParameterBase*>(&NAME)));
274  
275   #define CheckParameter(NAME, CONSTRAINT)                              \
276 < 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();} }                
276 > 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();} }                
277  
278  
279  

Comparing trunk/src/utils/ParameterManager.hpp (property svn:keywords):
Revision 1291 by gezelter, Thu Sep 11 19:40:59 2008 UTC vs.
Revision 2026 by gezelter, Wed Oct 22 12:23:59 2014 UTC

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