# | Line 41 | Line 41 | class Bond { | |
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41 | ||
42 | class Bond { | |
43 | public: | |
44 | < | Bond(Atom* atom1, Atom* atom2, BondType* bt); |
44 | > | Bond(Atom* atom1, Atom* atom2, BondType* bt) : atom1_(atom1), atom2_(atom2), bondType_(bt) {} |
45 | ||
46 | void calcForce() { | |
47 | double len; | |
# | Line 63 | Line 63 | class Bond { | |
63 | return potential_; | |
64 | } | |
65 | ||
66 | + | Atom* getAtomA() { |
67 | + | return atom1_; |
68 | + | } |
69 | + | |
70 | + | Atom* getAtomB() { |
71 | + | return atom2_; |
72 | + | } |
73 | + | |
74 | + | BondType* getBondType() { |
75 | + | return bondType_; |
76 | + | } |
77 | private: | |
78 | ||
79 | BondType* bondType_; /**< bond type */ |
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