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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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#define IO_BENDTYPESSECTIONPARSER_HPP |
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#include <map> |
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#include "io/SectionParser.hpp" |
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#include "io/ForceFieldOptions.hpp" |
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namespace oopse { |
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/** |
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* @class BendTypesSectionParser BendTypesSectionParser.hpp "io/BendTypesSectionParser.hpp" |
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*/ |
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class BendTypesSectionParser : public SectionParser { |
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public: |
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BendTypesSectionParser(); |
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/** |
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* @class BendTypesSectionParser BendTypesSectionParser.hpp "io/BendTypesSectionParser.hpp" |
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*/ |
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class BendTypesSectionParser : public SectionParser { |
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public: |
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BendTypesSectionParser(ForceFieldOptions& options); |
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private: |
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private: |
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enum BendTypeEnum{ |
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btHarmonic, |
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btGhostBend, |
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btUreyBradley, |
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btCubic, |
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btQuartic, |
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btPolynomial, |
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btUnknown |
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}; |
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enum BendTypeEnum{ |
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btHarmonic, |
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btGhostBend, |
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btUreyBradley, |
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btCubic, |
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btQuartic, |
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btPolynomial, |
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btUnknown |
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}; |
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void parseLine(ForceField& ff, const std::string& line, int lineNo); |
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void parseLine(ForceField& ff, const std::string& line, int lineNo); |
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BendTypeEnum getBendTypeEnum(const std::string& str); |
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BendTypeEnum getBendTypeEnum(const std::string& str); |
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std::map<std::string, BendTypeEnum> stringToEnumMap_; |
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}; |
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std::map<std::string, BendTypeEnum> stringToEnumMap_; |
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ForceFieldOptions& options_; |
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}; |
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} //namespace oopse |