| [52baf9] | 1 | /** \file FormatParserStorage.hpp | 
|---|
|  | 2 | * | 
|---|
|  | 3 | *  date: Jun, 22 2010 | 
|---|
|  | 4 | *  author: heber | 
|---|
|  | 5 | * | 
|---|
|  | 6 | */ | 
|---|
|  | 7 |  | 
|---|
|  | 8 | #ifndef FORMATPARSERSTORAGE_HPP_ | 
|---|
|  | 9 | #define FORMATPARSERSTORAGE_HPP_ | 
|---|
|  | 10 |  | 
|---|
|  | 11 | // include config.h | 
|---|
|  | 12 | #ifdef HAVE_CONFIG_H | 
|---|
|  | 13 | #include <config.h> | 
|---|
|  | 14 | #endif | 
|---|
|  | 15 |  | 
|---|
|  | 16 | #include "Patterns/Singleton.hpp" | 
|---|
|  | 17 |  | 
|---|
|  | 18 | #include <string> | 
|---|
| [5c6946] | 19 | #include <map> | 
|---|
| [52baf9] | 20 | #include <vector> | 
|---|
|  | 21 |  | 
|---|
| [73916f] | 22 | class atom; | 
|---|
| [52baf9] | 23 | class FormatParser; | 
|---|
| [dc0d21] | 24 | class MpqcParser; | 
|---|
| [bb6193] | 25 | class PdbParser; | 
|---|
| [dc0d21] | 26 | class PcpParser; | 
|---|
|  | 27 | class TremoloParser; | 
|---|
|  | 28 | class XyzParser; | 
|---|
| [52baf9] | 29 |  | 
|---|
|  | 30 | // enum has to be outside of class for operator++ to be possible | 
|---|
| [bb6193] | 31 | enum ParserTypes { mpqc, pcp, pdb, tremolo, xyz, ParserTypes_end, ParserTypes_begin = mpqc }; | 
|---|
| [52baf9] | 32 | typedef enum ParserTypes ParserTypes; | 
|---|
|  | 33 |  | 
|---|
| [dc0d21] | 34 | ParserTypes &operator++(ParserTypes &type); | 
|---|
| [52baf9] | 35 |  | 
|---|
|  | 36 | class FormatParserStorage : public Singleton<FormatParserStorage> { | 
|---|
|  | 37 | friend class Singleton<FormatParserStorage>; | 
|---|
|  | 38 | public: | 
|---|
|  | 39 |  | 
|---|
| [dc0d21] | 40 | void addMpqc(); | 
|---|
|  | 41 | void addPcp(); | 
|---|
| [bb6193] | 42 | void addPdb(); | 
|---|
| [dc0d21] | 43 | void addTremolo(); | 
|---|
|  | 44 | void addXyz(); | 
|---|
| [5c6946] | 45 | bool add(std::string type); | 
|---|
|  | 46 | bool add(ParserTypes type); | 
|---|
| [dc0d21] | 47 |  | 
|---|
| [73916f] | 48 | bool load(std::istream &input, std::string suffix); | 
|---|
|  | 49 | bool save(std::ostream &output, std::string suffix, const std::vector<atom *> &atoms); | 
|---|
|  | 50 | bool saveSelectedAtoms(std::ostream &output, std::string suffix); | 
|---|
|  | 51 | bool saveSelectedMolecules(std::ostream &output, std::string suffix); | 
|---|
|  | 52 | bool saveWorld(std::ostream &output, std::string suffix); | 
|---|
| [dc0d21] | 53 | MpqcParser &getMpqc(); | 
|---|
|  | 54 | PcpParser &getPcp(); | 
|---|
| [bb6193] | 55 | PdbParser &getPdb(); | 
|---|
| [dc0d21] | 56 | TremoloParser &getTremolo(); | 
|---|
|  | 57 | XyzParser &getXyz(); | 
|---|
| [52baf9] | 58 |  | 
|---|
| [a42054] | 59 | ParserTypes getTypeFromName(std::string type); | 
|---|
|  | 60 | ParserTypes getTypeFromSuffix(std::string type); | 
|---|
| [5c6946] | 61 |  | 
|---|
| [52baf9] | 62 | void SetOutputPrefixForAll(std::string &_prefix); | 
|---|
|  | 63 | void SaveAll(); | 
|---|
|  | 64 |  | 
|---|
|  | 65 | private: | 
|---|
|  | 66 | // private constructors as this is a singleton | 
|---|
|  | 67 | FormatParserStorage(); | 
|---|
|  | 68 | ~FormatParserStorage(); | 
|---|
|  | 69 |  | 
|---|
|  | 70 | // list of allocated parsers | 
|---|
|  | 71 | std::vector<FormatParser *> ParserList; | 
|---|
|  | 72 |  | 
|---|
| [60239f] | 73 | // list of allocated strams | 
|---|
|  | 74 | std::vector<std::ofstream *> ParserStream; | 
|---|
|  | 75 |  | 
|---|
| [52baf9] | 76 | // which parser is already present | 
|---|
|  | 77 | std::vector<bool> ParserPresent; | 
|---|
|  | 78 |  | 
|---|
|  | 79 | // default suffix of each parser type | 
|---|
| [a42054] | 80 | std::map<ParserTypes, std::string> ParserSuffixes; | 
|---|
|  | 81 | std::map<std::string, ParserTypes> ParserLookupSuffixes; | 
|---|
| [52baf9] | 82 |  | 
|---|
| [5c6946] | 83 | // function pointers to each add...() | 
|---|
|  | 84 | std::map< ParserTypes, void (FormatParserStorage::*)() > ParserAddFunction; | 
|---|
|  | 85 |  | 
|---|
|  | 86 | // type name of each parser type and reverse lookup | 
|---|
|  | 87 | std::map<ParserTypes, std::string> ParserNames; | 
|---|
|  | 88 | std::map<std::string, ParserTypes> ParserLookupNames; | 
|---|
|  | 89 |  | 
|---|
|  | 90 |  | 
|---|
| [52baf9] | 91 | // prefix of the filenames to use on save | 
|---|
|  | 92 | std::string prefix; | 
|---|
|  | 93 | }; | 
|---|
|  | 94 |  | 
|---|
|  | 95 | #endif // FORMATPARSERSTORAGE_HPP_ | 
|---|