| 53 |
|
#include "config.h" |
| 54 |
|
#include <string> |
| 55 |
|
#include <utility> |
| 56 |
+ |
#include <vector> |
| 57 |
|
|
| 58 |
|
#include "io/basic_ifstrstream.hpp" |
| 59 |
|
#include "io/ForceFieldOptions.hpp" |
| 60 |
|
#include "utils/TypeContainer.hpp" |
| 61 |
+ |
#include "utils/Tuple.hpp" |
| 62 |
|
#include "types/AtomType.hpp" |
| 63 |
|
#include "types/BondType.hpp" |
| 64 |
|
#include "types/BendType.hpp" |
| 149 |
|
ForceFieldOptions& getForceFieldOptions() {return forceFieldOptions_;} |
| 150 |
|
|
| 151 |
|
void setFortranForceOptions(void); |
| 152 |
+ |
|
| 153 |
+ |
|
| 154 |
|
protected: |
| 155 |
|
|
| 156 |
|
AtomTypeContainer atomTypeCont_; |
| 166 |
|
std::string wildCardAtomTypeName_; |
| 167 |
|
|
| 168 |
|
std::string forceFieldFileName_; |
| 165 |
– |
}; |
| 169 |
|
|
| 170 |
< |
|
| 170 |
> |
|
| 171 |
> |
}; |
| 172 |
|
}//end namespace oopse |
| 173 |
|
#endif |
| 174 |
|
|
