--- trunk/src/io/OptionSectionParser.cpp 2005/11/16 21:37:45 748 +++ trunk/src/io/OptionSectionParser.cpp 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 +29,18 @@ * 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). * - * OptionSectionParser.cpp - * OOPSE-2.0 - * * Created by Charles F. Vardeman II on 11/15/05. * @author Charles F. Vardeman II - * @version $Id: OptionSectionParser.cpp,v 1.1 2005-11-16 21:37:41 chuckv Exp $ + * @version $Id: OptionSectionParser.cpp,v 1.4 2009-11-25 20:02:00 gezelter Exp $ * */ @@ -52,13 +48,11 @@ #include "types/AtomType.hpp" #include "UseTheForce/ForceField.hpp" #include "utils/simError.h" -namespace oopse { - - OptionSectionParser::OptionSectionParser() { - setSectionName("Options"); - DefineOptionalParameter(MixingRule, "standard"); - - +#include "utils/StringUtils.hpp" +namespace OpenMD { + + OptionSectionParser::OptionSectionParser(ForceFieldOptions& options) : options_(options) { + setSectionName("Options"); } void OptionSectionParser::parseLine(ForceField& ff,const std::string& line, int lineNo){ @@ -66,11 +60,11 @@ namespace oopse { StringTokenizer tokenizer(line); if (tokenizer.countTokens() >= 2) { - std::string OptionName = tokenizer.nextToken(); - std::string OptionValue = tokenizer.nextToken(); + std::string optionName = tokenizer.nextToken(); + std::string optionValue = tokenizer.nextToken(); + options_.setData(optionName, optionValue); - } else { sprintf(painCave.errMsg, "OptionSectionParser Error: Not enough tokens at line %d\n", lineNo); @@ -79,6 +73,9 @@ namespace oopse { } } - -} //end namespace oopse + void OptionSectionParser::validateSection() { + options_.validateOptions(); + } + +} //end namespace OpenMD