68 |
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69 |
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virtual void parse(const std::string& filename); |
70 |
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71 |
< |
virtual void parseShapeFile(string shapeFileName, ShapeAtomType* st); |
71 |
> |
// virtual void parseShapeFile(std::string& shapeFileName, ShapeAtomType* st); |
72 |
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73 |
< |
double findLargestContactDistance(ShapeAtomType* st); |
74 |
< |
double findCutoffDistance(ShapeAtomType* st); |
75 |
< |
virtual void calcRcut( void ); |
73 |
> |
// double findLargestContactDistance(ShapeAtomType* st); |
74 |
> |
// double findCutoffDistance(ShapeAtomType* st); |
75 |
> |
// virtual void calcRcut( void ); |
76 |
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77 |
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private: |
78 |
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SectionParserManager spMan_; |