| # | Line 2 | Line 2 | |
|---|---|---|
| 2 | ||
| 3 | ||
| 4 | #include "Molecule.hpp" | |
| 5 | + | #include "simError.h" |
| 6 | ||
| 7 | ||
| 8 | ||
| # | Line 101 | Line 102 | double Molecule::getPotential( void ){ | |
| 102 | ||
| 103 | return myPot; | |
| 104 | } | |
| 105 | + | |
| 106 | + | void Molecule::printMe( void ){ |
| 107 | + | |
| 108 | + | int i; |
| 109 | + | |
| 110 | + | for(i=0; i<nBonds; i++){ |
| 111 | + | myBonds[i]->printMe(); |
| 112 | + | } |
| 113 | + | |
| 114 | + | for(i=0; i<nBends; i++){ |
| 115 | + | myBends[i]->printMe(); |
| 116 | + | } |
| 117 | + | |
| 118 | + | for(i=0; i<nTorsions; i++){ |
| 119 | + | myTorsions[i]->printMe(); |
| 120 | + | } |
| 121 | + | } |
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