--- trunk/src/utils/ParameterManager.hpp 2008/10/22 20:01:49 1313 +++ trunk/src/utils/ParameterManager.hpp 2009/11/25 20:02:06 1390 @@ -6,19 +6,10 @@ * redistribute this software in source and binary code form, provided * that the following conditions are met: * - * 1. Acknowledgement of the program authors must be made in any - * publication of scientific results based in part on use of the - * program. An acceptable form of acknowledgement is citation of - * the article in which the program was described (Matthew - * A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher - * J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented - * Parallel Simulation Engine for Molecular Dynamics," - * J. Comput. Chem. 26, pp. 252-271 (2005)) - * - * 2. Redistributions of source code must retain the above copyright + * 1. Redistributions of source code must retain the above copyright * notice, this list of conditions and the following disclaimer. * - * 3. Redistributions in binary form must reproduce the above copyright + * 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. @@ -38,13 +29,20 @@ * 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). * * ParameterManager.hpp - * OOPSE-2.0 * * Created by Charles F. Vardeman II on 11/16/05. * @author Charles F. Vardeman II - * @version $Id: ParameterManager.hpp,v 1.5 2008-10-22 20:01:49 gezelter Exp $ + * @version $Id: ParameterManager.hpp,v 1.6 2009-11-25 20:02:04 gezelter Exp $ * */ @@ -85,7 +83,7 @@ struct ParameterTraits{ template static bool convert(T, RepType&){return false;} template static RepType convert(T v) {RepType tmp; convert(v,tmp);return tmp;} static bool convert(std::string v, RepType& r) { - oopse::toLower(v); + OpenMD::toLower(v); bool result = false; if (v == "true") { r = true; @@ -141,7 +139,7 @@ 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) { - oopse::StringTokenizer tokenizer(v," ;,\t\n\r"); + OpenMD::StringTokenizer tokenizer(v," ;,\t\n\r"); if (tokenizer.countTokens() == 2) { int atom1 = tokenizer.nextTokenAsInt(); int atom2 = tokenizer.nextTokenAsInt(); @@ -151,7 +149,7 @@ struct ParameterTraits >{ sprintf(painCave.errMsg, "ParameterManager Error: " "Not enough tokens to make pair!\n"); - painCave.severity = OOPSE_ERROR; + painCave.severity = OPENMD_ERROR; painCave.isFatal = 1; simError(); } @@ -251,7 +249,7 @@ parameters_.insert(std::map::value_type(std::string(KEYWORD), static_cast(&NAME))); #define CheckParameter(NAME, CONSTRAINT) \ -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();} } +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();} }