| # | 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 | + | } |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |