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/** |
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* @class SimCreator SimCreator.hpp "brains/SimCreator.hpp" |
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* @brief |
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* The only responsibility of SimCreator is to parse the meta-data file and create a SimInfo |
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* instance based on the information returned by parser. |
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*/ |
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class SimCreator { |
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public: |
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/** Extracts the molecules stamps and adds them into SimInfo class */ |
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void compList(MakeStamps* stamps, Globals* globals, |
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std::vector<std::pair<MoleculeStamp*, int> >& moleculeStamps) ; |
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– |
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/** Initialize fortran, mainly set the cutoff radius and setup*/ |
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void initFortran(SimInfo* info); |
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/** Figure out the cutoff radius and pass it to fortran */ |
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void setCutoff(SimInfo* info); |
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std::string mdFileName_; //save the meta-data file name which may be used later |
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}; |