| 1 | /* | 
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| 2 | * TremoloParser.hpp | 
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| 3 | * | 
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| 4 | *  Created on: Mar 2, 2010 | 
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| 5 | *      Author: metzler | 
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| 6 | */ | 
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| 7 |  | 
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| 8 | #ifndef TREMOLOPARSER_HPP_ | 
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| 9 | #define TREMOLOPARSER_HPP_ | 
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| 10 |  | 
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| 11 | #include <string> | 
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| 12 | #include "Parser/FormatParser.hpp" | 
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| 13 |  | 
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| 14 | #include "TremoloKey.hpp" | 
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| 15 | #include "TremoloAtomInfoContainer.hpp" | 
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| 16 |  | 
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| 17 | class molecule; | 
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| 18 |  | 
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| 19 | /** | 
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| 20 | * Loads a tremolo file into the World and saves the World as a tremolo file. | 
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| 21 | */ | 
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| 22 | class TremoloParser : public FormatParser | 
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| 23 | { | 
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| 24 | public: | 
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| 25 | TremoloParser(); | 
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| 26 | ~TremoloParser(); | 
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| 27 | void load(std::istream* file); | 
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| 28 | void save(std::ostream* file); | 
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| 29 | void setFieldsForSave(std::string atomDataLine); | 
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| 30 |  | 
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| 31 |  | 
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| 32 | private: | 
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| 33 | void readAtomDataLine(string line); | 
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| 34 | void readAtomDataLine(string line, molecule *newmol); | 
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| 35 | void parseAtomDataKeysLine(string line, int offset); | 
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| 36 | void readNeighbors(std::stringstream* line, int numberOfNeighbors, int atomId); | 
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| 37 | void processNeighborInformation(); | 
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| 38 | void adaptImprData(); | 
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| 39 | void adaptTorsion(); | 
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| 40 | std::string adaptIdDependentDataString(std::string data); | 
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| 41 | bool isUsedField(std::string fieldName); | 
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| 42 | void writeNeighbors(std::ostream* file, int numberOfNeighbors, atom* currentAtom); | 
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| 43 | void saveLine(std::ostream* file, atom* currentAtom); | 
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| 44 |  | 
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| 45 | /** | 
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| 46 | * Map to associate the known keys with numbers. | 
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| 47 | */ | 
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| 48 | std::map<std::string, TremoloKey::atomDataKey> knownKeys; | 
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| 49 |  | 
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| 50 | /** | 
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| 51 | * Fields used in the tremolo file. | 
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| 52 | */ | 
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| 53 | std::vector<std::string> usedFields; | 
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| 54 |  | 
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| 55 | /** | 
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| 56 | * Data which is currently not stored in atoms but was provided by the input | 
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| 57 | * file. | 
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| 58 | */ | 
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| 59 | std::map<int, TremoloAtomInfoContainer> additionalAtomData; | 
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| 60 |  | 
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| 61 | /** | 
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| 62 | * Default additional atom data. | 
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| 63 | */ | 
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| 64 | TremoloAtomInfoContainer defaultAdditionalData; | 
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| 65 |  | 
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| 66 | /** | 
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| 67 | * Maps original atom IDs received from the parsed file to atom IDs in the | 
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| 68 | * world. | 
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| 69 | */ | 
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| 70 | std::map<int, int> atomIdMap; | 
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| 71 | }; | 
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| 72 |  | 
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| 73 | #endif /* TREMOLOPARSER_HPP_ */ | 
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