--- trunk/src/io/SectionParser.hpp 2005/01/12 22:41:40 246 +++ trunk/src/io/SectionParser.hpp 2009/11/25 20:02:06 1390 @@ -1,4 +1,4 @@ - /* +/* * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. * * The University of Notre Dame grants you ("Licensee") a @@ -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. @@ -37,6 +28,15 @@ * arising out of the use of or inability to use software, even if the * 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). */ #ifndef IO_SECTIONPARSER_HPP @@ -47,36 +47,37 @@ #include "utils/StringTokenizer.hpp" -namespace oopse { +namespace OpenMD { + + class ForceField; + + /** + * @class SectionParser SectionParser.hpp "io/SectionParser.hpp" + * @todo document + */ + class SectionParser { + public: + virtual ~SectionParser() {} + void parse(std::istream& input, ForceField& ff, int lineNo); + + const std::string& getSectionName() const { + return sectionName_; + } + virtual void validateSection() {} + protected: + void setSectionName(const std::string& sectionName) { + sectionName_ = sectionName; + } + + private: + bool isEndSection(const std::string& line); + virtual void parseLine(ForceField& ff, const std::string& line, int lineNo) = 0; -class ForceField; + + std::string sectionName_; + }; - /** - * @class SectionParser SectionParser.hpp "io/SectionParser.hpp" - * @todo document - */ - class SectionParser { - public: - virtual ~SectionParser() {} - void parse(std::istream& input, ForceField& ff, int lineNo); - const std::string& getSectionName() const { - return sectionName_; - } - - protected: - void setSectionName(const std::string& sectionName) { - sectionName_ = sectionName; - } - - private: - - bool isEndSection(const std::string& line); - virtual void parseLine(ForceField& ff, const std::string& line, int lineNo) = 0; - std::string sectionName_; - }; - - } #endif //IO_SECTIONPARSER_HPP