| 1 | < | /* | 
| 1 | > | /* | 
| 2 |  | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | 
| 3 |  | * | 
| 4 |  | * The University of Notre Dame grants you ("Licensee") a | 
| 6 |  | * redistribute this software in source and binary code form, provided | 
| 7 |  | * that the following conditions are met: | 
| 8 |  | * | 
| 9 | < | * 1. Acknowledgement of the program authors must be made in any | 
| 10 | < | *    publication of scientific results based in part on use of the | 
| 11 | < | *    program.  An acceptable form of acknowledgement is citation of | 
| 12 | < | *    the article in which the program was described (Matthew | 
| 13 | < | *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher | 
| 14 | < | *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented | 
| 15 | < | *    Parallel Simulation Engine for Molecular Dynamics," | 
| 16 | < | *    J. Comput. Chem. 26, pp. 252-271 (2005)) | 
| 17 | < | * | 
| 18 | < | * 2. Redistributions of source code must retain the above copyright | 
| 9 | > | * 1. Redistributions of source code must retain the above copyright | 
| 10 |  | *    notice, this list of conditions and the following disclaimer. | 
| 11 |  | * | 
| 12 | < | * 3. Redistributions in binary form must reproduce the above copyright | 
| 12 | > | * 2. Redistributions in binary form must reproduce the above copyright | 
| 13 |  | *    notice, this list of conditions and the following disclaimer in the | 
| 14 |  | *    documentation and/or other materials provided with the | 
| 15 |  | *    distribution. | 
| 28 |  | * arising out of the use of or inability to use software, even if the | 
| 29 |  | * University of Notre Dame has been advised of the possibility of | 
| 30 |  | * such damages. | 
| 31 | + | * | 
| 32 | + | * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your | 
| 33 | + | * research, please cite the appropriate papers when you publish your | 
| 34 | + | * work.  Good starting points are: | 
| 35 | + | * | 
| 36 | + | * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). | 
| 37 | + | * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). | 
| 38 | + | * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). | 
| 39 | + | * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
| 40 | + | * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
| 41 |  | */ | 
| 42 |  |  | 
| 43 |  | #ifndef IO_SECTIONPARSER_HPP | 
| 48 |  |  | 
| 49 |  | #include "utils/StringTokenizer.hpp" | 
| 50 |  |  | 
| 51 | < | namespace oopse { | 
| 51 | > | namespace OpenMD { | 
| 52 | > |  | 
| 53 | > | class ForceField; | 
| 54 | > |  | 
| 55 | > | /** | 
| 56 | > | * @class SectionParser SectionParser.hpp "io/SectionParser.hpp" | 
| 57 | > | * @todo document | 
| 58 | > | */ | 
| 59 | > | class SectionParser { | 
| 60 | > | public: | 
| 61 | > | virtual ~SectionParser() {} | 
| 62 | > | void parse(std::istream& input, ForceField& ff, int lineNo); | 
| 63 | > |  | 
| 64 | > | const std::string& getSectionName() const { | 
| 65 | > | return sectionName_; | 
| 66 | > | } | 
| 67 | > | virtual void validateSection() {} | 
| 68 | > | protected: | 
| 69 | > | void setSectionName(const std::string& sectionName) { | 
| 70 | > | sectionName_ = sectionName; | 
| 71 | > | } | 
| 72 | > |  | 
| 73 | > | private: | 
| 74 | > | bool isEndSection(const std::string& line); | 
| 75 | > | virtual void parseLine(ForceField& ff, const std::string& line, int lineNo) = 0; | 
| 76 |  |  | 
| 77 | < | class ForceField; | 
| 77 | > |  | 
| 78 | > | std::string sectionName_; | 
| 79 | > | }; | 
| 80 |  |  | 
| 54 | – | /** | 
| 55 | – | * @class SectionParser SectionParser.hpp "io/SectionParser.hpp" | 
| 56 | – | * @todo document | 
| 57 | – | */ | 
| 58 | – | class SectionParser { | 
| 59 | – | public: | 
| 60 | – | virtual ~SectionParser() {} | 
| 61 | – | void parse(std::istream& input, ForceField& ff, int lineNo); | 
| 81 |  |  | 
| 63 | – | const std::string& getSectionName() const { | 
| 64 | – | return sectionName_; | 
| 65 | – | } | 
| 66 | – |  | 
| 67 | – | protected: | 
| 68 | – | void setSectionName(const std::string& sectionName) { | 
| 69 | – | sectionName_ = sectionName; | 
| 70 | – | } | 
| 71 | – |  | 
| 72 | – | private: | 
| 73 | – |  | 
| 74 | – | bool isEndSection(const std::string& line); | 
| 75 | – | virtual void parseLine(ForceField& ff, const std::string& line, int lineNo) = 0; | 
| 76 | – | std::string sectionName_; | 
| 77 | – | }; | 
| 78 | – |  | 
| 79 | – |  | 
| 82 |  | } | 
| 83 |  |  | 
| 84 |  | #endif //IO_SECTIONPARSER_HPP |