| 178 |
|
//project the inertial moment of directional atoms into this rigid body |
| 179 |
|
for (std::size_t i = 0; i < atoms_.size(); i++) { |
| 180 |
|
if (atoms_[i]->isDirectional()) { |
| 181 |
< |
RectMatrix<double, 3, 3> Iproject = refOrients_[i].transpose() * atoms_[i]->getI(); |
| 182 |
< |
Itmp(0, 0) += Iproject(0, 0); |
| 183 |
< |
Itmp(1, 1) += Iproject(1, 1); |
| 184 |
< |
Itmp(2, 2) += Iproject(2, 2); |
| 181 |
> |
Itmp += refOrients_[i].transpose() * atoms_[i]->getI() * refOrients_[i]; |
| 182 |
|
} |
| 183 |
|
} |
| 184 |
|
|
| 270 |
|
if (atoms_[i]->isDirectional()) { |
| 271 |
|
|
| 272 |
|
dAtom = (DirectionalAtom *) atoms_[i]; |
| 273 |
< |
dAtom->setA(a * refOrients_[i]); |
| 277 |
< |
//dAtom->rotateBy( A ); |
| 273 |
> |
dAtom->setA(refOrients_[i] * a); |
| 274 |
|
} |
| 275 |
|
|
| 276 |
|
} |
| 297 |
|
if (atoms_[i]->isDirectional()) { |
| 298 |
|
|
| 299 |
|
dAtom = (DirectionalAtom *) atoms_[i]; |
| 300 |
< |
dAtom->setA(a * refOrients_[i], frame); |
| 300 |
> |
dAtom->setA(refOrients_[i] * a, frame); |
| 301 |
|
} |
| 302 |
|
|
| 303 |
|
} |
