| 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_SECTIONPARSERMANAGER_HPP | 
| 47 |  |  | 
| 48 |  | #include "io/SectionParser.hpp" | 
| 49 |  |  | 
| 50 | < | namespace oopse { | 
| 50 | > | namespace OpenMD { | 
| 51 |  |  | 
| 52 | < | struct SectionParserContext { | 
| 52 | > | struct SectionParserContext { | 
| 53 |  | int priority; | 
| 54 |  | SectionParser* sectionParser; | 
| 55 |  | int lineNo; | 
| 56 |  | std::streampos  offset; | 
| 57 |  | bool isActive; | 
| 58 | < | }; | 
| 58 | > | }; | 
| 59 |  |  | 
| 60 | < | class SameSectionParserFunctor { | 
| 61 | < | public: | 
| 62 | < | SameSectionParserFunctor(const std::string section) : section_(section) {} | 
| 63 | < |  | 
| 64 | < | bool operator()(SectionParserContext context) { | 
| 65 | < | return context.sectionParser->getSectionName() == section_; | 
| 66 | < | } | 
| 60 | > | class SameSectionParserFunctor { | 
| 61 | > | public: | 
| 62 | > | SameSectionParserFunctor(const std::string §ion) : section_(section) {} | 
| 63 | > |  | 
| 64 | > | bool operator()(SectionParserContext context) { | 
| 65 | > | return context.sectionParser->getSectionName() == section_; | 
| 66 | > | } | 
| 67 |  |  | 
| 68 | < | private: | 
| 69 | < | std::string section_; | 
| 70 | < | }; | 
| 71 | < | /** | 
| 72 | < | * @class SectionParserManager SectionParserManager.hpp "io/SectionParserManager.hpp" | 
| 73 | < | * SectionParserManager maintains a priority list | 
| 74 | < | */ | 
| 75 | < | class SectionParserManager { | 
| 68 | > | private: | 
| 69 | > | std::string section_; | 
| 70 | > | }; | 
| 71 | > | /** | 
| 72 | > | * @class SectionParserManager SectionParserManager.hpp "io/SectionParserManager.hpp" | 
| 73 | > | * SectionParserManager maintains a priority list | 
| 74 | > | */ | 
| 75 | > | class SectionParserManager { | 
| 76 |  |  | 
| 77 | < | public: | 
| 78 | < | typedef std::list<SectionParserContext> SectionParserContextList; | 
| 79 | < | typedef SectionParserContextList::iterator iterator; | 
| 80 | < | typedef SectionParserContextList::const_iterator const_iterator; | 
| 77 | > | public: | 
| 78 | > | typedef std::list<SectionParserContext> SectionParserContextList; | 
| 79 | > | typedef SectionParserContextList::iterator iterator; | 
| 80 | > | typedef SectionParserContextList::const_iterator const_iterator; | 
| 81 |  |  | 
| 82 | < | SectionParserManager() : beginPriority_(0), priorityDifference_(100) {} | 
| 83 | < | ~SectionParserManager(); | 
| 82 | > | SectionParserManager() : beginPriority_(0), priorityDifference_(100) {} | 
| 83 | > | ~SectionParserManager(); | 
| 84 |  |  | 
| 85 | < | void parse(std::istream& input, ForceField&  ff); | 
| 85 | > | void parse(std::istream& input, ForceField&  ff); | 
| 86 |  |  | 
| 87 | < | void push_front(SectionParser* sp); | 
| 87 | > | void push_front(SectionParser* sp); | 
| 88 |  |  | 
| 89 | < | void push_back(SectionParser* sp); | 
| 89 | > | void push_back(SectionParser* sp); | 
| 90 |  |  | 
| 91 | < | void insert(SectionParser* sp, int priority); | 
| 91 | > | void insert(SectionParser* sp, int priority); | 
| 92 |  |  | 
| 93 | < | const_iterator begin() const { | 
| 94 | < | return sectionParsers_.begin(); | 
| 95 | < | } | 
| 93 | > | const_iterator begin() const { | 
| 94 | > | return sectionParsers_.begin(); | 
| 95 | > | } | 
| 96 |  |  | 
| 97 | < | const_iterator end() const{ | 
| 98 | < | return sectionParsers_.end(); | 
| 99 | < | } | 
| 97 | > | const_iterator end() const{ | 
| 98 | > | return sectionParsers_.end(); | 
| 99 | > | } | 
| 100 |  |  | 
| 101 | < | private: | 
| 102 | < | iterator findSectionParser(const std::string& sectionName); | 
| 103 | < | const int beginPriority_; | 
| 104 | < | int priorityDifference_; | 
| 101 | > | private: | 
| 102 | > | iterator findSectionParser(const std::string §ionName); | 
| 103 | > | const int beginPriority_; | 
| 104 | > | int priorityDifference_; | 
| 105 |  |  | 
| 106 | < | SectionParserContextList sectionParsers_; | 
| 107 | < | }; | 
| 106 | > | SectionParserContextList sectionParsers_; | 
| 107 | > | }; | 
| 108 |  |  | 
| 109 |  | } | 
| 110 |  | #endif //IO_SECTIONPARSERMANAGER_HPP |