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/* |
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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* redistribute this software in source and binary code form, provided |
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* that the following conditions are met: |
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* |
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* 1. Acknowledgement of the program authors must be made in any |
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* publication of scientific results based in part on use of the |
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* program. An acceptable form of acknowledgement is citation of |
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* the article in which the program was described (Matthew |
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* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
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* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
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* Parallel Simulation Engine for Molecular Dynamics," |
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* J. Comput. Chem. 26, pp. 252-271 (2005)) |
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* |
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* 2. Redistributions of source code must retain the above copyright |
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* 1. Redistributions of source code must retain the above copyright |
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* notice, this list of conditions and the following disclaimer. |
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* |
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* 3. Redistributions in binary form must reproduce the above copyright |
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* 2. Redistributions in binary form must reproduce the above copyright |
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* notice, this list of conditions and the following disclaimer in the |
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* documentation and/or other materials provided with the |
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* distribution. |
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* arising out of the use of or inability to use software, even if the |
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* University of Notre Dame has been advised of the possibility of |
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* such damages. |
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* |
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* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your |
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* research, please cite the appropriate papers when you publish your |
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* work. Good starting points are: |
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* |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
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* [4] Vardeman & Gezelter, in progress (2009). |
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*/ |
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#include <algorithm> |
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#include <stack> |
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#include "utils/Trim.hpp" |
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#include "utils/simError.h" |
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|
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namespace oopse { |
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namespace OpenMD { |
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|
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SectionParserManager::~SectionParserManager() { |
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SectionParserManager::~SectionParserManager() { |
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SectionParserManager::iterator i; |
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for (i = sectionParsers_.begin(); i != sectionParsers_.end(); ++i) { |
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delete (i->sectionParser); |
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delete (i->sectionParser); |
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} |
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sectionParsers_.clear(); |
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} |
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} |
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|
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void SectionParserManager::parse(std::istream& input, ForceField& ff) { |
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void SectionParserManager::parse(std::istream& input, ForceField& ff) { |
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|
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//reset active flags |
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SectionParserManager::iterator i; |
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for (i = sectionParsers_.begin(); i != sectionParsers_.end(); ++i) { |
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i->isActive = false; |
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i->isActive = false; |
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} |
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|
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const int bufferSize = 65535; |
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std::stack<std::string> sectionNameStack; |
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//scan through the input stream and find section names |
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while(input.getline(buffer, bufferSize)) { |
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++lineNo; |
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++lineNo; |
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|
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std::string line = trimLeftCopy(buffer); |
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//a line begins with "//" is a comment line |
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if ( line.empty() || (line.size() >= 2 && line[0] == '/' && line[1] == '/')) { |
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continue; |
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} else { |
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StringTokenizer tokenizer(line); |
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if (tokenizer.countTokens() < 2) { |
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continue; |
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} else { |
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std::string keyword = tokenizer.nextToken(); |
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std::string line = trimLeftCopy(buffer); |
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//a line begins with "//" is a comment line |
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if ( line.empty() || (line.size() >= 2 && line[0] == '/' |
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&& line[1] == '/') ) { |
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continue; |
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} else { |
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StringTokenizer tokenizer(line); |
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if (tokenizer.countTokens() < 2) { |
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continue; |
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} else { |
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std::string keyword = tokenizer.nextToken(); |
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|
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if (keyword == "begin") { |
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std::string section = tokenizer.nextToken(); |
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sectionNameStack.push(section); |
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|
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i = std::find_if(sectionParsers_.begin(), sectionParsers_.end(), SameSectionParserFunctor(section)); |
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if (i == sectionParsers_.end()){ |
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sprintf(painCave.errMsg, "SectionParserManager Error: Can not find corresponding section parser for %s\n", |
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section.c_str()); |
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painCave.isFatal = 1; |
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simError(); |
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} else { |
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if (i->isActive) { |
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sprintf(painCave.errMsg, "SectionParserManager Error:find multiple %s section\n", |
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section.c_str()); |
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painCave.isFatal = 1; |
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simError(); |
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} else { |
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i->isActive = true; |
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i->lineNo = lineNo; |
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i->offset = input.tellg(); |
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} |
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} |
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} else if (keyword == "end") { |
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std::string section = tokenizer.nextToken(); |
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if (sectionNameStack.top() == section) { |
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sectionNameStack.pop(); |
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} else { |
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sprintf(painCave.errMsg, "SectionParserManager Error: begin %s and end %s does not match at line %d\n", |
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sectionNameStack.top().c_str(), section.c_str(), lineNo); |
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painCave.isFatal = 1; |
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simError(); |
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} |
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|
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} else { |
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continue; |
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} |
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} |
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} |
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|
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if (keyword == "begin") { |
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std::string section = tokenizer.nextToken(); |
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sectionNameStack.push(section); |
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|
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i = std::find_if(sectionParsers_.begin(), sectionParsers_.end(), |
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SameSectionParserFunctor(section)); |
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if (i == sectionParsers_.end()){ |
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sprintf(painCave.errMsg, |
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"SectionParserManager Error: Can not find corresponding " |
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"section parser for %s\n", |
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section.c_str()); |
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painCave.isFatal = 1; |
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simError(); |
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} else { |
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if (i->isActive) { |
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sprintf(painCave.errMsg, "SectionParserManager Error:find multiple %s " |
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"section\n", |
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section.c_str()); |
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painCave.isFatal = 1; |
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simError(); |
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} else { |
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i->isActive = true; |
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i->lineNo = lineNo; |
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i->offset = input.tellg(); |
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} |
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} |
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} else if (keyword == "end") { |
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std::string section = tokenizer.nextToken(); |
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if (sectionNameStack.top() == section) { |
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sectionNameStack.pop(); |
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} else { |
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sprintf(painCave.errMsg, "SectionParserManager Error: begin %s and end %s does not match at line %d\n", |
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sectionNameStack.top().c_str(), section.c_str(), lineNo); |
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painCave.isFatal = 1; |
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simError(); |
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} |
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|
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} else { |
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continue; |
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} |
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} |
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} |
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|
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} |
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|
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|
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if (!sectionNameStack.empty()) { |
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sprintf(painCave.errMsg, "SectionParserManager Error: stack is not empty\n"); |
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painCave.isFatal = 1; |
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simError(); |
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sprintf(painCave.errMsg, "SectionParserManager Error: stack is not empty\n"); |
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painCave.isFatal = 1; |
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simError(); |
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} |
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|
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|
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//invoke parser |
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for (i = sectionParsers_.begin(); i != sectionParsers_.end(); ++i) { |
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if (i->isActive) { |
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//C++ standard does not guarantee seekg reset EOF, in that case, seekg will fail |
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//It is always a good idea to call clear() before seek |
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input.clear(); |
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input.seekg(i->offset); |
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(i->sectionParser)->parse(input, ff, i->lineNo); |
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} |
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if (i->isActive) { |
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//C++ standard does not guarantee seekg reset EOF, in that case, seekg will fail |
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//It is always a good idea to call clear() before seek |
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input.clear(); |
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input.seekg(i->offset); |
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(i->sectionParser)->parse(input, ff, i->lineNo); |
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(i->sectionParser)->validateSection(); |
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} |
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} |
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|
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} |
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|
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void SectionParserManager::push_front(SectionParser* sp) { |
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} |
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|
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void SectionParserManager::push_front(SectionParser* sp) { |
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SectionParserManager::iterator i; |
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i = findSectionParser(sp->getSectionName()); |
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if (i != sectionParsers_.end()) { |
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std::cerr << sp->getSectionName() << " section parser is alway existed" << std::endl; |
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return; |
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std::cerr << sp->getSectionName() << " section parser already exists" |
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<< std::endl; |
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return; |
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} |
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|
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SectionParserContext context; |
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|
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if (sectionParsers_.empty()) { |
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context.priority = beginPriority_; |
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context.priority = beginPriority_; |
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} else { |
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context.priority = sectionParsers_.front().priority - priorityDifference_; |
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context.priority = sectionParsers_.front().priority - priorityDifference_; |
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} |
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|
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|
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context.sectionParser = sp; |
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context.lineNo = 0; |
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context.offset = 0; |
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context.isActive = false; |
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sectionParsers_.push_front(context); |
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} |
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} |
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|
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void SectionParserManager::push_back(SectionParser* sp) { |
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void SectionParserManager::push_back(SectionParser* sp) { |
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SectionParserManager::iterator i; |
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i = findSectionParser(sp->getSectionName()); |
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if (i != sectionParsers_.end()) { |
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std::cerr << sp->getSectionName() << " section parser is alway existed" << std::endl; |
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return; |
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std::cerr << sp->getSectionName() << " section parser already exists" |
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<< std::endl; |
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return; |
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} |
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|
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SectionParserContext context; |
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if (sectionParsers_.empty()) { |
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context.priority = beginPriority_; |
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context.priority = beginPriority_; |
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} else { |
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context.priority = sectionParsers_.back().priority + priorityDifference_; |
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context.priority = sectionParsers_.back().priority + priorityDifference_; |
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} |
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|
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context.sectionParser = sp; |
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|
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sectionParsers_.push_back(context); |
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|
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} |
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} |
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|
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void SectionParserManager::insert(SectionParser* sp, int priority) { |
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void SectionParserManager::insert(SectionParser* sp, int priority) { |
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SectionParserManager::iterator i; |
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i = findSectionParser(sp->getSectionName()); |
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if (i != sectionParsers_.end()) { |
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std::cerr << sp->getSectionName() << " section parser is alway existed" << std::endl; |
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std::cerr << sp->getSectionName() << " section parser already exists" |
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<< std::endl; |
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} |
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|
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SectionParserContext context; |
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context.isActive = false; |
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|
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if (sectionParsers_.empty()) { |
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sectionParsers_.push_back(context); |
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sectionParsers_.push_back(context); |
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} else { |
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|
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for (i = sectionParsers_.begin(); i != sectionParsers_.end(); ++i) { |
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if (i->priority == priority) { |
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std::cerr << "Priority " << priority << " already used" << std::endl; |
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return; |
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} else if (i->priority > priority) { |
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sectionParsers_.insert(i, context); |
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break; |
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} |
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for (i = sectionParsers_.begin(); i != sectionParsers_.end(); ++i) { |
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if (i->priority == priority) { |
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std::cerr << "Priority " << priority << " already used" << std::endl; |
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return; |
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} else if (i->priority > priority) { |
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sectionParsers_.insert(i, context); |
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break; |
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} |
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|
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} |
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} |
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} |
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|
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} |
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} |
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|
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|
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SectionParserManager::iterator SectionParserManager::findSectionParser(const std::string& sectionName) { |
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SectionParserManager::iterator SectionParserManager::findSectionParser(const std::string& sectionName) { |
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SectionParserManager::iterator i; |
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for (i = sectionParsers_.begin(); i != sectionParsers_.end(); ++i) { |
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if (i->sectionParser->getSectionName() == sectionName) { |
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break; |
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} |
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if (i->sectionParser->getSectionName() == sectionName) { |
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break; |
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} |
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} |
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|
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return i; |
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} |
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} |
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|
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} |