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 |
|
|