| 152 |
|
|
| 153 |
|
//create wrapping visitor |
| 154 |
|
|
| 155 |
< |
if(args_info.periodicBox_flag){ |
| 156 |
< |
WrappingVisitor* wrappingVisitor = new WrappingVisitor(info); |
| 157 |
< |
compositeVisitor->addVisitor(wrappingVisitor, 400); |
| 158 |
< |
} |
| 155 |
> |
//if(args_info.periodicBox_flag){ |
| 156 |
> |
// WrappingVisitor* wrappingVisitor = new WrappingVisitor(info); |
| 157 |
> |
// compositeVisitor->addVisitor(wrappingVisitor, 400); |
| 158 |
> |
//} |
| 159 |
|
|
| 160 |
|
//create replicate visitor |
| 161 |
|
if(args_info.repeatX_given > 0 || args_info.repeatY_given > 0 ||args_info.repeatY_given > 0){ |
| 202 |
|
Molecule* mol; |
| 203 |
|
StuntDouble* integrableObject; |
| 204 |
|
RigidBody* rb; |
| 205 |
+ |
Vector3d molCom; |
| 206 |
+ |
Vector3d newMolCom; |
| 207 |
+ |
Vector3d displacement; |
| 208 |
+ |
Mat3x3d hmat; |
| 209 |
+ |
Snapshot* currentSnapshot; |
| 210 |
|
|
| 211 |
|
for (int i = 0; i < nframes; i += args_info.frame_arg){ |
| 212 |
|
dumpReader->readFrame(i); |
| 213 |
< |
|
| 213 |
> |
|
| 214 |
> |
//wrapping the molecule |
| 215 |
> |
if(args_info.periodicBox_flag) { |
| 216 |
> |
currentSnapshot = info->getSnapshotManager()->getCurrentSnapshot(); |
| 217 |
> |
for (mol = info->beginMolecule(miter); mol != NULL; mol = info->nextMolecule(miter)) { |
| 218 |
> |
molCom = mol->getCom(); |
| 219 |
> |
newMolCom = molCom; |
| 220 |
> |
currentSnapshot->wrapVector(newMolCom); |
| 221 |
> |
displacement = newMolCom - molCom; |
| 222 |
> |
for (integrableObject = mol->beginIntegrableObject(iiter); integrableObject != NULL; |
| 223 |
> |
integrableObject = mol->nextIntegrableObject(iiter)) { |
| 224 |
> |
integrableObject->setPos(integrableObject->getPos() + displacement); |
| 225 |
> |
} |
| 226 |
> |
} |
| 227 |
> |
} |
| 228 |
|
//update atoms of rigidbody |
| 229 |
|
for (mol = info->beginMolecule(miter); mol != NULL; mol = info->nextMolecule(miter)) { |
| 230 |
|
|
