# | Line 97 | Line 97 | class ForceField{ | |
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97 | const std::string &at3, const std::string &at4, TorsionType* torsionType); | |
98 | ||
99 | ifstrstream* openForceFieldFile(const std::string& filename); | |
100 | + | |
101 | + | unsigned int getNAtomType() { |
102 | + | return atomTypeCont_.size(); |
103 | + | } |
104 | + | |
105 | private: | |
106 | std::string ffPath_; | |
107 | bool hasVariant_; | |
# | Line 113 | Line 118 | class ForceField{ | |
118 | BondTypeContainer bondTypeCont_; | |
119 | BendTypeContainer bendTypeCont_; | |
120 | TorsionTypeContainer torsionTypeCont_; | |
121 | + | |
122 | + | SectionParserManager |
123 | }; | |
124 | ||
125 |
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