SegFault_gcc4.6
      
      
        
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            Last change
 on this file since 15c75f8 was             d5b90b, checked in by Frederik Heber <heber@…>, 13 years ago           | 
        
        
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FIX: XyzParser had lacking precision beyond coordinates of 100000. 
 
- made the coordinates be written via a printCoordinate() function for
XyzParser, too. Beyond 1000 we write with fixed 3 digit precision.
 - added regression test on printing coordinates with large components.
  
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Property                 mode
 set to                 
100644
               
             
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            File size:
            1.1 KB
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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<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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