source: src/Parser/XyzParser.hpp@ 97dff0

Last change on this file since 97dff0 was d5b90b, checked in by Frederik Heber <heber@…>, 12 years ago

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.
  • Property mode set to 100644
File size: 1.1 KB
RevLine 
[ab4b55]1/*
2 * XyzParser.hpp
3 *
4 * Created on: Mar 2, 2010
5 * Author: metzler
6 */
7
8#ifndef XYZPARSER_HPP_
9#define XYZPARSER_HPP_
10
[56f73b]11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
[ab4b55]16#include <string>
[765f16]17
18
19#include "FormatParser.hpp"
20#include "FormatParserTrait.hpp"
21#include "FormatParserInterface.hpp"
22#include "FormatParser_common.hpp"
23#include "ParserTypes.hpp"
24
25// declaration of specialized FormatParserTrait
26template<>
27struct FormatParserTrait<xyz>
28{
29 //!> Name of the parser
30 static const std::string name;
31 //!> suffix of the files the parser understands to read and write
32 static const std::string suffix;
33 //!> ParserTypes enumeration for the parser
34 static const enum ParserTypes type;
35};
[ab4b55]36
37/**
38 * Parser for XYZ files.
39 */
[765f16]40template <>
41class FormatParser< xyz > : virtual public FormatParserInterface, public FormatParser_common
42{
[ab4b55]43public:
[765f16]44 FormatParser();
45 virtual ~FormatParser();
[ab4b55]46 void load(std::istream* file);
[73916f]47 void save(std::ostream* file, const std::vector<atom *> &atoms);
[ab4b55]48
[d5b90b]49private:
50 static const std::string printCoordinate(const double value);
51
[ab4b55]52private:
53 std::string comment;
54};
55
56#endif /* XYZPARSER_HPP_ */
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