# | Line 47 | Line 47 | class Torsion { | |
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47 | Torsion(Atom* atom1, Atom* atom2, Atom* atom3, Atom* atom4, TorsionType* tt); | |
48 | ||
49 | virtual void calcForce(); | |
50 | + | |
51 | double getPotential(); | |
52 | + | |
53 | + | Atom* getAtomA() { |
54 | + | return atom1_; |
55 | + | } |
56 | + | |
57 | + | Atom* getAtomB() { |
58 | + | return atom2_; |
59 | + | } |
60 | + | |
61 | + | Atom* getAtomC() { |
62 | + | return atom3_; |
63 | + | } |
64 | + | |
65 | + | Atom* getAtomD() { |
66 | + | return atom4_; |
67 | + | } |
68 | + | |
69 | + | TorsionType * getTorsionType() { |
70 | + | return torsionType_; |
71 | + | } |
72 | ||
73 | protected: | |
74 |
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