45 |
|
virtual void parse(const std::string& filename = "DUFF.frc"); |
46 |
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|
47 |
|
private: |
48 |
+ |
enum ParseState { |
49 |
+ |
AtomTypeSection, |
50 |
+ |
DirectionalAtomTypeSection, |
51 |
+ |
BondTypeSection, |
52 |
+ |
BendTypeSection, |
53 |
+ |
TorsionTypeSection, |
54 |
+ |
UnknownSection |
55 |
+ |
}; |
56 |
|
|
57 |
< |
void parseAtomType(); |
58 |
< |
void parseBondType(); |
59 |
< |
void parseBendType(); |
60 |
< |
void parseTorsionType(); |
57 |
> |
ParseState getSection(const std::string& section); |
58 |
> |
|
59 |
> |
void parseAtomType(const std::string& line, int lineNo, int& ident); |
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 |
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}; |
65 |
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|