| 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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