46 |
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47 |
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private: |
48 |
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|
49 |
< |
void parseAtomType(); |
50 |
< |
void parseBondType(); |
51 |
< |
void parseBendType(); |
52 |
< |
void parseTorsionType(); |
49 |
> |
enum ParseState { |
50 |
> |
AtomTypeSection, |
51 |
> |
BondTypeSection, |
52 |
> |
BendTypeSection, |
53 |
> |
TorsionTypeSection, |
54 |
> |
UnknownSection |
55 |
> |
}; |
56 |
|
|
57 |
+ |
ParseState getSection(const std::string& section); |
58 |
+ |
|
59 |
+ |
void parseAtomType(const std::string& line, int lineNo); |
60 |
+ |
void parseBondType(const std::string& line, int lineNo); |
61 |
+ |
void parseBendType(const std::string& line, int lineNo); |
62 |
+ |
void parseTorsionType(const std::string& line, int lineNo); |
63 |
+ |
|
64 |
|
}; |
65 |
|
|
66 |
|
//declare the funtion to create DUFF |