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 "CodePatterns/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 | #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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29 | class atom;
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30 |
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31 | // enum has to be outside of class for operator++ to be possible
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32 | enum ParserTypes { mpqc, pcp, pdb, tremolo, xyz, ParserTypes_end, ParserTypes_begin = mpqc };
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33 | typedef enum ParserTypes ParserTypes;
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34 |
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35 | ParserTypes &operator++(ParserTypes &type);
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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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41 | void addMpqc();
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42 | void addPcp();
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43 | void addPdb();
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44 | void addTremolo();
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45 | void addXyz();
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46 | bool add(std::string type);
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47 | bool add(ParserTypes type);
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48 |
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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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54 | MpqcParser &getMpqc();
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55 | PcpParser &getPcp();
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56 | PdbParser &getPdb();
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57 | TremoloParser &getTremolo();
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58 | XyzParser &getXyz();
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59 | FormatParser &get(enum ParserTypes _type);
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60 |
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61 | ParserTypes getTypeFromName(std::string type);
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62 | ParserTypes getTypeFromSuffix(std::string type);
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63 |
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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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75 | // list of allocated strams
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76 | std::vector<std::ofstream *> ParserStream;
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77 |
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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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82 | std::map<ParserTypes, std::string> ParserSuffixes;
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83 | std::map<std::string, ParserTypes> ParserLookupSuffixes;
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84 |
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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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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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