68 |
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* Parses the meta-data file |
69 |
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* @param mdfile |
70 |
|
* @param stamps |
71 |
< |
* @param globals |
71 |
> |
* @param simParams |
72 |
|
*/ |
73 |
< |
void parseFile(const std::string mdFileName, MakeStamps* stamps, Globals* globals); |
73 |
> |
void parseFile(const std::string mdFileName, MakeStamps* stamps, Globals* simParams); |
74 |
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|
75 |
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|
76 |
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/** create the molecules belong to current processor*/ |
88 |
|
|
89 |
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|
90 |
|
/** Extracts the molecules stamps and adds them into SimInfo class */ |
91 |
< |
void compList(MakeStamps* stamps, Globals* globals, |
91 |
> |
void compList(MakeStamps* stamps, Globals* simParams, |
92 |
|
std::vector<std::pair<MoleculeStamp*, int> >& moleculeStamps) ; |
93 |
|
|
94 |
|
/** |