| [52baf9] | 1 | /** \file FormatParserStorage.hpp | 
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|  | 2 | * | 
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|  | 3 | *  date: Jun, 22 2010 | 
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|  | 4 | *  author: heber | 
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|  | 5 | * | 
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|  | 6 | */ | 
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|  | 7 |  | 
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|  | 8 | #ifndef FORMATPARSERSTORAGE_HPP_ | 
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|  | 9 | #define FORMATPARSERSTORAGE_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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| [ad011c] | 16 | #include "CodePatterns/Singleton.hpp" | 
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| [52baf9] | 17 |  | 
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|  | 18 | #include <string> | 
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| [5c6946] | 19 | #include <map> | 
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| [52baf9] | 20 | #include <vector> | 
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|  | 21 |  | 
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| [7a51be] | 22 | #include "Parser/FormatParser.hpp" | 
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|  | 23 | #include "Parser/MpqcParser.hpp" | 
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|  | 24 | #include "Parser/PcpParser.hpp" | 
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|  | 25 | #include "Parser/PdbParser.hpp" | 
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|  | 26 | #include "Parser/TremoloParser.hpp" | 
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|  | 27 | #include "Parser/XyzParser.hpp" | 
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|  | 28 |  | 
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| [73916f] | 29 | class atom; | 
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| [52baf9] | 30 |  | 
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|  | 31 | // enum has to be outside of class for operator++ to be possible | 
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| [bb6193] | 32 | enum ParserTypes { mpqc, pcp, pdb, tremolo, xyz, ParserTypes_end, ParserTypes_begin = mpqc }; | 
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| [52baf9] | 33 | typedef enum ParserTypes ParserTypes; | 
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|  | 34 |  | 
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| [dc0d21] | 35 | ParserTypes &operator++(ParserTypes &type); | 
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| [52baf9] | 36 |  | 
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|  | 37 | class FormatParserStorage : public Singleton<FormatParserStorage> { | 
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|  | 38 | friend class Singleton<FormatParserStorage>; | 
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|  | 39 | public: | 
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|  | 40 |  | 
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| [dc0d21] | 41 | void addMpqc(); | 
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|  | 42 | void addPcp(); | 
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| [bb6193] | 43 | void addPdb(); | 
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| [dc0d21] | 44 | void addTremolo(); | 
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|  | 45 | void addXyz(); | 
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| [5c6946] | 46 | bool add(std::string type); | 
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|  | 47 | bool add(ParserTypes type); | 
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| [dc0d21] | 48 |  | 
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| [73916f] | 49 | bool load(std::istream &input, std::string suffix); | 
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|  | 50 | bool save(std::ostream &output, std::string suffix, const std::vector<atom *> &atoms); | 
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|  | 51 | bool saveSelectedAtoms(std::ostream &output, std::string suffix); | 
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|  | 52 | bool saveSelectedMolecules(std::ostream &output, std::string suffix); | 
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|  | 53 | bool saveWorld(std::ostream &output, std::string suffix); | 
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| [dc0d21] | 54 | MpqcParser &getMpqc(); | 
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|  | 55 | PcpParser &getPcp(); | 
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| [bb6193] | 56 | PdbParser &getPdb(); | 
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| [dc0d21] | 57 | TremoloParser &getTremolo(); | 
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|  | 58 | XyzParser &getXyz(); | 
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| [7a51be] | 59 | FormatParser &get(enum ParserTypes _type); | 
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| [52baf9] | 60 |  | 
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| [a42054] | 61 | ParserTypes getTypeFromName(std::string type); | 
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|  | 62 | ParserTypes getTypeFromSuffix(std::string type); | 
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| [5c6946] | 63 |  | 
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| [52baf9] | 64 | void SetOutputPrefixForAll(std::string &_prefix); | 
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|  | 65 | void SaveAll(); | 
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|  | 66 |  | 
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|  | 67 | private: | 
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|  | 68 | // private constructors as this is a singleton | 
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|  | 69 | FormatParserStorage(); | 
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|  | 70 | ~FormatParserStorage(); | 
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|  | 71 |  | 
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|  | 72 | // list of allocated parsers | 
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|  | 73 | std::vector<FormatParser *> ParserList; | 
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|  | 74 |  | 
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| [60239f] | 75 | // list of allocated strams | 
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|  | 76 | std::vector<std::ofstream *> ParserStream; | 
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|  | 77 |  | 
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| [52baf9] | 78 | // which parser is already present | 
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|  | 79 | std::vector<bool> ParserPresent; | 
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|  | 80 |  | 
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|  | 81 | // default suffix of each parser type | 
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| [a42054] | 82 | std::map<ParserTypes, std::string> ParserSuffixes; | 
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|  | 83 | std::map<std::string, ParserTypes> ParserLookupSuffixes; | 
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| [52baf9] | 84 |  | 
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| [5c6946] | 85 | // function pointers to each add...() | 
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|  | 86 | std::map< ParserTypes, void (FormatParserStorage::*)() > ParserAddFunction; | 
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|  | 87 |  | 
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|  | 88 | // type name of each parser type and reverse lookup | 
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|  | 89 | std::map<ParserTypes, std::string> ParserNames; | 
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|  | 90 | std::map<std::string, ParserTypes> ParserLookupNames; | 
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|  | 91 |  | 
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|  | 92 |  | 
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| [52baf9] | 93 | // prefix of the filenames to use on save | 
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|  | 94 | std::string prefix; | 
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|  | 95 | }; | 
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|  | 96 |  | 
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|  | 97 | #endif // FORMATPARSERSTORAGE_HPP_ | 
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