AutomationFragmentation_failures
        Candidate_v1.6.1
        Candidate_v1.7.0
        ChemicalSpaceEvaluator
        Exclude_Hydrogens_annealWithBondGraph
        ForceAnnealing_with_BondGraph
        ForceAnnealing_with_BondGraph_contraction-expansion
        Gui_displays_atomic_force_velocity
        PythonUI_with_named_parameters
        StoppableMakroAction
        TremoloParser_IncreasedPrecision
        stable
      
      
        
          | Last change
 on this file since 90ece9 was             fac58f, checked in by Frederik Heber <heber@…>, 10 years ago | 
        
          | 
Converted FormatParser::save() to using vector of const atom ptrs.
 required to change all save() functions in all parsers.
 | 
        
          | 
              
Property                 mode
 set to                 100644 | 
        
          | File size:
            1.1 KB | 
      
      
| Line |  | 
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| 1 | /* | 
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| 2 | * XyzParser.hpp | 
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| 3 | * | 
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| 4 | *  Created on: Mar 2, 2010 | 
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| 5 | *      Author: metzler | 
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| 6 | */ | 
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| 7 |  | 
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| 8 | #ifndef XYZPARSER_HPP_ | 
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| 9 | #define XYZPARSER_HPP_ | 
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| 10 |  | 
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| 11 | // include config.h | 
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| 12 | #ifdef HAVE_CONFIG_H | 
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| 13 | #include <config.h> | 
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| 14 | #endif | 
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| 15 |  | 
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| 16 | #include <string> | 
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| 17 |  | 
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| 18 |  | 
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| 19 | #include "FormatParser.hpp" | 
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| 20 | #include "FormatParserTrait.hpp" | 
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| 21 | #include "FormatParserInterface.hpp" | 
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| 22 | #include "FormatParser_common.hpp" | 
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| 23 | #include "ParserTypes.hpp" | 
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| 24 |  | 
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| 25 | // declaration of specialized FormatParserTrait | 
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| 26 | template<> | 
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| 27 | struct FormatParserTrait<xyz> | 
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| 28 | { | 
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| 29 | //!> Name of the parser | 
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| 30 | static const std::string name; | 
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| 31 | //!> suffix of the files the parser understands to read and write | 
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| 32 | static const std::string suffix; | 
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| 33 | //!> ParserTypes enumeration for the parser | 
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| 34 | static const enum ParserTypes type; | 
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| 35 | }; | 
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| 36 |  | 
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| 37 | /** | 
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| 38 | * Parser for XYZ files. | 
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| 39 | */ | 
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| 40 | template <> | 
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| 41 | class FormatParser< xyz >  : virtual public FormatParserInterface, public FormatParser_common | 
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| 42 | { | 
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| 43 | public: | 
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| 44 | FormatParser(); | 
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| 45 | virtual ~FormatParser(); | 
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| 46 | void load(std::istream* file); | 
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| 47 | void save(std::ostream* file, const std::vector<const atom *> &atoms); | 
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| 48 |  | 
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| 49 | private: | 
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| 50 | static const std::string printCoordinate(const double value); | 
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| 51 |  | 
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| 52 | private: | 
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| 53 | std::string comment; | 
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| 54 | }; | 
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| 55 |  | 
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| 56 | #endif /* XYZPARSER_HPP_ */ | 
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