49 |
|
|
50 |
|
private: |
51 |
|
SectionParserManager spMan_; |
52 |
– |
/* |
53 |
– |
enum ParseState { |
54 |
– |
AtomTypeSection, |
55 |
– |
DirectionalAtomTypeSection, |
56 |
– |
BondTypeSection, |
57 |
– |
BendTypeSection, |
58 |
– |
TorsionTypeSection, |
59 |
– |
UnknownSection |
60 |
– |
}; |
52 |
|
|
62 |
– |
ParseState getSection(const std::string& section); |
63 |
– |
|
64 |
– |
void parseAtomType(const std::string& line, int lineNo, int& ident); |
65 |
– |
void parseBondType(const std::string& line, int lineNo); |
66 |
– |
void parseBendType(const std::string& line, int lineNo); |
67 |
– |
void parseTorsionType(const std::string& line, int lineNo); |
68 |
– |
*/ |
53 |
|
}; |
54 |
|
|
71 |
– |
//static ForceFieldBuilder<DUFF>* DUFFCreator = new ForceFieldBuilder<DUFF>("DUFF"); |
55 |
|
} //end namespace oopse |
56 |
|
#endif //USETHEFORCE_DUFF_HPP |
57 |
|
|