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