110 |
|
molNode->bs.bitsets_[STUNTDOUBLE].setBitOn(rb->getGlobalIndex()); |
111 |
|
rbNode->bs.bitsets_[STUNTDOUBLE].setBitOn(rb->getGlobalIndex()); |
112 |
|
|
113 |
< |
//create nodes for atoms belong to this rigidbody |
114 |
< |
for(atom = rb->beginAtom(ai); atom != NULL; atom = rb->nextAtom(ai)) { |
115 |
< |
std::string rbAtomName = atom->getType(); |
116 |
< |
TreeNode* rbAtomNode = createNode(rbNode, rbAtomName); |
113 |
> |
// COMMENTED OUT because rigid bodies are IntegrableObjects |
114 |
> |
// (e.g. they are independently mobile, so selecting their |
115 |
> |
// member atoms will give some odd results if we are computing |
116 |
> |
// degrees of freedom elsewhere. |
117 |
|
|
118 |
< |
rbAtomNode->bs.bitsets_[STUNTDOUBLE].setBitOn(atom->getGlobalIndex()); |
119 |
< |
} |
118 |
> |
// //create nodes for atoms belong to this rigidbody |
119 |
> |
// for(atom = rb->beginAtom(ai); atom != NULL; atom = rb->nextAtom(ai)) { |
120 |
> |
// std::string rbAtomName = atom->getType(); |
121 |
> |
// TreeNode* rbAtomNode = createNode(rbNode, rbAtomName); |
122 |
> |
|
123 |
> |
// rbAtomNode->bs.bitsets_[STUNTDOUBLE].setBitOn(atom->getGlobalIndex()); |
124 |
> |
// } |
125 |
|
} |
126 |
|
|
127 |
|
for (bond = mol->beginBond(bondIter); bond != NULL; |