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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] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
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*/ |
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|
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#include "io/SectionParser.hpp" |
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#include "utils/Trim.hpp" |
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namespace oopse { |
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namespace OpenMD { |
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|
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void SectionParser::parse(std::istream& input, ForceField& ff, int lineNo) { |
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void SectionParser::parse(std::istream& input, ForceField& ff, int lineNo) { |
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const int bufferSize = 65535; |
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char buffer[bufferSize]; |
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std::string line; |
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while(input.getline(buffer, bufferSize)) { |
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/**@todo */ |
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line = trimLeftCopy(buffer); |
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//a line begins with "//" is comment |
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if (isEndSection(line)) { |
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break; |
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} else if ( line.empty() || (line.size() >= 2 && line[0] == '/' && line[1] == '/')) { |
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continue; |
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} else { |
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parseLine(ff, line, lineNo); |
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} |
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++lineNo; |
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line = trimLeftCopy(buffer); |
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//a line begins with "//" is comment |
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// let's also call lines starting with # and ! as comments |
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if (isEndSection(line)) { |
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break; |
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} else if ( line.empty() || |
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(line.size() >= 2 && line[0] == '/' && line[1] == '/') || |
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(line.size() >= 1 && line[0] == '#') || |
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(line.size() >= 1 && line[0] == '!') ) { |
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continue; |
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} else { |
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parseLine(ff, line, lineNo); |
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} |
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} |
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} |
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|
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bool SectionParser::isEndSection(const std::string& line) { |
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} |
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|
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bool SectionParser::isEndSection(const std::string& line) { |
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StringTokenizer tokenizer(line); |
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|
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|
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if (tokenizer.countTokens() >= 2) { |
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std::string keyword = tokenizer.nextToken(); |
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|
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if (keyword != "end"){ |
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return false; |
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} |
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|
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std::string section = tokenizer.nextToken(); |
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if (section == sectionName_) { |
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return true; |
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}else { |
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return false; |
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} |
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|
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}else { |
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std::string keyword = tokenizer.nextToken(); |
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|
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if (keyword != "end"){ |
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return false; |
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} |
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|
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std::string section = tokenizer.nextToken(); |
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if (section == sectionName_) { |
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return true; |
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}else { |
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return false; |
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} |
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|
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}else { |
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return false; |
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} |
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|
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} |
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|
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} |
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}//namespace oopse |
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}//namespace OpenMD |
