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Comparing branches/development/src/utils/ParameterManager.hpp (file contents):
Revision 1613 by gezelter, Thu Aug 18 20:18:19 2011 UTC vs.
Revision 1704 by gezelter, Tue Apr 24 20:40:04 2012 UTC

# Line 36 | Line 36
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 < *
39 > * [4] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40 > * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
41   *  ParameterManager.hpp
42   *
43   *  Created by Charles F. Vardeman II on 11/16/05.
# Line 149 | Line 149 | struct ParameterTraits<std::pair<int, int> >{
149      } else {
150        sprintf(painCave.errMsg,
151                "ParameterManager Error: "
152 <              "Not enough tokens to make pair!\n");
152 >              "Incorrect number of tokens to make a pair!\n");
153        painCave.severity = OPENMD_ERROR;
154        painCave.isFatal = 1;
155        simError();    
# Line 157 | Line 157 | struct ParameterTraits<std::pair<int, int> >{
157      return false;
158    }
159    static std::string getParamType() { return "std::pair<int, int>";}    
160 + };
161 +
162 + //OpenMD's internal Vector3d
163 + template<>                    
164 + struct ParameterTraits<OpenMD::Vector3d >{
165 +  typedef OpenMD::Vector3d  RepType;
166 +  template<typename T> static bool    convert(T, RepType&){return false;}
167 +  template<typename T> static RepType convert(T v)        {RepType tmp; convert(v,tmp);return tmp;}
168 +  static bool convert(RepType v, RepType& r)            {r=v; return true;}
169 +  static bool convert(std::string v, RepType& r) {
170 +    OpenMD::StringTokenizer tokenizer(v," ();,\t\n\r");
171 +    if (tokenizer.countTokens() == 3) {
172 +      RealType v1 = tokenizer.nextTokenAsDouble();
173 +      RealType v2 = tokenizer.nextTokenAsDouble();
174 +      RealType v3 = tokenizer.nextTokenAsDouble();
175 +      r = OpenMD::Vector3d(v1, v2, v3);
176 +      return true;
177 +    } else {
178 +      sprintf(painCave.errMsg,
179 +              "ParameterManager Error: "
180 +              "Incorrect number of tokens to make a Vector3!\n");
181 +      painCave.severity = OPENMD_ERROR;
182 +      painCave.isFatal = 1;
183 +      simError();    
184 +    }
185 +    return false;
186 +  }
187 +  static std::string getParamType() { return "OpenMD::Vector3d";}    
188   };
189  
190  
# Line 176 | Line 204 | class ParameterBase { (public)
204    virtual bool setData(unsigned long int) = 0;
205    virtual bool setData(RealType) = 0;
206    virtual bool setData(std::pair<int, int>) = 0;
207 +  virtual bool setData(OpenMD::Vector3d) = 0;
208    virtual std::string getParamType() = 0;
209   protected:
210    std::string keyword_;
# Line 210 | Line 239 | class Parameter : public ParameterBase{ (public)
239    virtual bool setData(std::pair<int, int> pval) {
240      return internalSetData<std::pair<int, int> >(pval);
241    }
242 +  virtual bool setData(OpenMD::Vector3d pval) {
243 +    return internalSetData<OpenMD::Vector3d >(pval);
244 +  }
245    
246    virtual std::string getParamType() { return ParameterTraits<ParamType>::getParamType();}
247   private:

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