ForceAnnealing_goodresults
ForceAnnealing_tocheck
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Last change
on this file since 94791a was fac58f, checked in by Frederik Heber <heber@…>, 10 years ago |
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Converted FormatParser::save() to using vector of const atom ptrs.
- required to change all save() functions in all parsers.
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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<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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