| [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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| [73916f] | 22 | class atom;
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| [52baf9] | 23 | class FormatParser;
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| [dc0d21] | 24 | class MpqcParser;
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| [bb6193] | 25 | class PdbParser;
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| [dc0d21] | 26 | class PcpParser;
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 | 27 | class TremoloParser;
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 | 28 | class XyzParser;
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| [52baf9] | 29 | 
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 | 30 | // enum has to be outside of class for operator++ to be possible
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| [bb6193] | 31 | enum ParserTypes { mpqc, pcp, pdb, tremolo, xyz, ParserTypes_end, ParserTypes_begin = mpqc };
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| [52baf9] | 32 | typedef enum ParserTypes ParserTypes;
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 | 33 | 
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| [dc0d21] | 34 | ParserTypes &operator++(ParserTypes &type);
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| [52baf9] | 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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| [dc0d21] | 40 |   void addMpqc();
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 | 41 |   void addPcp();
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| [bb6193] | 42 |   void addPdb();
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| [dc0d21] | 43 |   void addTremolo();
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 | 44 |   void addXyz();
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| [5c6946] | 45 |   bool add(std::string type);
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 | 46 |   bool add(ParserTypes type);
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| [dc0d21] | 47 | 
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| [73916f] | 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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| [dc0d21] | 53 |   MpqcParser &getMpqc();
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 | 54 |   PcpParser &getPcp();
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| [bb6193] | 55 |   PdbParser &getPdb();
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| [dc0d21] | 56 |   TremoloParser &getTremolo();
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 | 57 |   XyzParser &getXyz();
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| [52baf9] | 58 | 
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| [a42054] | 59 |   ParserTypes getTypeFromName(std::string type);
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 | 60 |   ParserTypes getTypeFromSuffix(std::string type);
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| [5c6946] | 61 | 
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| [52baf9] | 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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| [60239f] | 73 |   // list of allocated strams
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 | 74 |   std::vector<std::ofstream *> ParserStream;
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 | 75 | 
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| [52baf9] | 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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| [a42054] | 80 |   std::map<ParserTypes, std::string> ParserSuffixes;
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 | 81 |   std::map<std::string, ParserTypes> ParserLookupSuffixes;
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| [52baf9] | 82 | 
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| [5c6946] | 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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| [52baf9] | 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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