53 |
|
|
54 |
|
SimInfo::MoleculeIterator mi; |
55 |
|
Molecule* mol; |
56 |
< |
StuntDouble* integrableObject; |
56 |
> |
StuntDouble* sd; |
57 |
|
Molecule::IntegrableObjectIterator ioi; |
58 |
|
Molecule::AtomIterator ai; |
59 |
|
Atom* atom; |
64 |
|
mol = info_->nextMolecule(mi)) { |
65 |
|
|
66 |
|
// Hull is constructed from all known integrable objects. |
67 |
< |
for (integrableObject = mol->beginIntegrableObject(ioi); |
68 |
< |
integrableObject != NULL; |
69 |
< |
integrableObject = mol->nextIntegrableObject(ioi)) { |
70 |
< |
localSites_.push_back(integrableObject); |
67 |
> |
for (sd = mol->beginIntegrableObject(ioi); |
68 |
> |
sd != NULL; |
69 |
> |
sd = mol->nextIntegrableObject(ioi)) { |
70 |
> |
localSites_.push_back(sd); |
71 |
|
} |
72 |
|
|
73 |
|
// selection can include atoms (which may be a subset of the IOs) |