| 646 |
|
//for(atomIter = myAtoms.begin(); atomIter != myAtoms.end(); ++atomIter) |
| 647 |
|
// (*atomIter)->accept(v); |
| 648 |
|
} |
| 649 |
+ |
|
| 650 |
+ |
void RigidBody::getAtomPos(double theP[3], int index){ |
| 651 |
+ |
vec3 ref; |
| 652 |
+ |
|
| 653 |
+ |
if (index >= myAtoms.size()) |
| 654 |
+ |
cerr << index << " is an invalid index, current rigid body contains " << myAtoms.size() << "atoms" << endl; |
| 655 |
+ |
|
| 656 |
+ |
ref = refCoords[index]; |
| 657 |
+ |
body2Lab(ref.vec); |
| 658 |
+ |
|
| 659 |
+ |
theP[0] = pos[0] + ref[0]; |
| 660 |
+ |
theP[1] = pos[1] + ref[1]; |
| 661 |
+ |
theP[2] = pos[2] + ref[2]; |
| 662 |
+ |
} |
| 663 |
+ |
|