--- branches/development/src/utils/ParameterManager.hpp 2012/03/26 15:27:16 1700 +++ branches/development/src/utils/ParameterManager.hpp 2013/02/20 15:39:39 1850 @@ -35,7 +35,7 @@ * * [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). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * * ParameterManager.hpp @@ -149,7 +149,7 @@ struct ParameterTraits >{ } else { sprintf(painCave.errMsg, "ParameterManager Error: " - "Not enough tokens to make pair!\n"); + "Incorrect number of tokens to make a pair!\n"); painCave.severity = OPENMD_ERROR; painCave.isFatal = 1; simError(); @@ -167,6 +167,7 @@ struct ParameterTraits{ template static RepType convert(T v) {RepType tmp; convert(v,tmp);return tmp;} static bool convert(RepType v, RepType& r) {r=v; return true;} static bool convert(std::string v, RepType& r) { + std::cerr << "calling tokenizer\n"; OpenMD::StringTokenizer tokenizer(v," ();,\t\n\r"); if (tokenizer.countTokens() == 3) { RealType v1 = tokenizer.nextTokenAsDouble(); @@ -217,7 +218,7 @@ class Parameter : public ParameterBase{ (public) class Parameter : public ParameterBase{ public: typedef ParameterTraits ValueType; - void setDefaultValue(const ParamType& value) {data_ = value; defaultValue_ = true;} + void setDefaultValue(const ParamType& value) {data_ = value; defaultValue_ = true; empty_ = false;} ParamType getData() { return data_;} virtual bool setData(std::string sval) {