| 74 |
|
SRI** theArray; |
| 75 |
|
for(int i = 0; i < nMols; i++){ |
| 76 |
|
|
| 77 |
< |
theArray = molecules[i].getMyBonds(); |
| 78 |
< |
for(int j=0; j<molecules[i].getNbonds(); j++){ |
| 77 |
> |
theArray = (SRI**) molecules[i].getMyBonds(); |
| 78 |
> |
for(int j=0; j<molecules[i].getNBonds(); j++){ |
| 79 |
|
|
| 80 |
|
constrained = theArray[j]->is_constrained(); |
| 81 |
|
|
| 91 |
|
} |
| 92 |
|
} |
| 93 |
|
|
| 94 |
< |
theArray = molecules[i].getMyBends(); |
| 95 |
< |
for(int j=0; j<molecules[i].getNbends(); j++){ |
| 94 |
> |
theArray = (SRI**) molecules[i].getMyBends(); |
| 95 |
> |
for(int j=0; j<molecules[i].getNBends(); j++){ |
| 96 |
|
|
| 97 |
|
constrained = theArray[j]->is_constrained(); |
| 98 |
|
|
| 108 |
|
} |
| 109 |
|
} |
| 110 |
|
|
| 111 |
< |
theArray = molecules[i].getMyTorsions(); |
| 112 |
< |
for(int j=0; j<molecules[i].getNtorsions(); j++){ |
| 111 |
> |
theArray = (SRI**) molecules[i].getMyTorsions(); |
| 112 |
> |
for(int j=0; j<molecules[i].getNTorsions(); j++){ |
| 113 |
|
|
| 114 |
|
constrained = theArray[j]->is_constrained(); |
| 115 |
|
|