| # | Line 101 | Line 101 | double Molecule::getPotential( void ){ | |
|---|---|---|
| 101 | ||
| 102 | return myPot; | |
| 103 | } | |
| 104 | + | |
| 105 | + | void Molecule::printMe( void ){ | 
| 106 | + | |
| 107 | + | int i; | 
| 108 | + | |
| 109 | + | for(i=0; i<nBonds; i++){ | 
| 110 | + | myBonds[i]->printMe(); | 
| 111 | + | } | 
| 112 | + | |
| 113 | + | for(i=0; i<nBends; i++){ | 
| 114 | + | myBends[i]->printMe(); | 
| 115 | + | } | 
| 116 | + | |
| 117 | + | for(i=0; i<nTorsions; i++){ | 
| 118 | + | myTorsions[i]->printMe(); | 
| 119 | + | } | 
| 120 | + | } | 
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