| 45 |
|
|
| 46 |
|
/** |
| 47 |
|
* @class SimCreator SimCreator.hpp "brains/SimCreator.hpp" |
| 48 |
< |
* @brief |
| 48 |
> |
* The only responsibility of SimCreator is to parse the meta-data file and create a SimInfo |
| 49 |
> |
* instance based on the information returned by parser. |
| 50 |
|
*/ |
| 51 |
|
class SimCreator { |
| 52 |
|
public: |
| 91 |
|
/** Extracts the molecules stamps and adds them into SimInfo class */ |
| 92 |
|
void compList(MakeStamps* stamps, Globals* globals, |
| 93 |
|
std::vector<std::pair<MoleculeStamp*, int> >& moleculeStamps) ; |
| 93 |
– |
|
| 94 |
– |
/** Initialize fortran, mainly set the cutoff radius and setup*/ |
| 95 |
– |
void initFortran(SimInfo* info); |
| 96 |
– |
|
| 97 |
– |
/** Figure out the cutoff radius and pass it to fortran */ |
| 98 |
– |
void setCutoff(SimInfo* info); |
| 94 |
|
|
| 95 |
|
std::string mdFileName_; //save the meta-data file name which may be used later |
| 96 |
|
}; |
