--- trunk/src/io/OptionSectionParser.hpp 2005/11/16 21:37:45 748 +++ trunk/src/io/OptionSectionParser.hpp 2010/05/10 17:28:26 1442 @@ -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. @@ -38,45 +29,47 @@ * 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.hpp - * OOPSE-2.0 - * * Created by Charles F. Vardeman II on 11/15/05. * @author Charles F. Vardeman II - * @version $Id: OptionSectionParser.hpp,v 1.1 2005-11-16 21:37:41 chuckv Exp $ + * @version $Id$ * */ #ifndef IO_OPTIONSECTIONPARSER_HPP #define IO_OPTIONSECTIONPARSER_HPP +#include "io/ForceFieldOptions.hpp" #include "io/SectionParser.hpp" #include "types/AtomType.hpp" -namespace oopse { +namespace OpenMD { + /** * @class OptionSectionParser OptionSectionParser.hpp "io/OptionSectionParser.hpp" */ class OptionSectionParser : public SectionParser { public: - OptionSectionParser(); - - DeclareParameter(MixingRule, std::string); - + OptionSectionParser(ForceFieldOptions& options); + virtual void validateSection(); + private: virtual void parseLine(ForceField& ff, const std::string& line, int lineNo); + ForceFieldOptions& options_; - typedef std::map ParamMap; - ParamMap parameters_; - - - }; -} //namespace oopse +} //namespace OpenMD #endif //IO_OPTIONSECTIONPARSER_HPP