| 259 |
|
r[0] = (A[0][0] * rb[0]) + (A[1][0] * rb[1]) + (A[2][0] * rb[2]); |
| 260 |
|
r[1] = (A[0][1] * rb[0]) + (A[1][1] * rb[1]) + (A[2][1] * rb[2]); |
| 261 |
|
r[2] = (A[0][2] * rb[0]) + (A[1][2] * rb[1]) + (A[2][2] * rb[2]); |
| 262 |
+ |
|
| 263 |
+ |
} |
| 264 |
+ |
|
| 265 |
+ |
double RigidBody::getZangle( ){ |
| 266 |
+ |
return zAngle; |
| 267 |
+ |
} |
| 268 |
+ |
|
| 269 |
+ |
void RigidBody::setZangle( double zAng ){ |
| 270 |
+ |
zAngle = zAng; |
| 271 |
+ |
} |
| 272 |
|
|
| 273 |
+ |
void RigidBody::addZangle( double zAng ){ |
| 274 |
+ |
zAngle += zAng; |
| 275 |
|
} |
| 276 |
|
|
| 277 |
|
void RigidBody::calcRefCoords( ) { |
| 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 |
+ |
|
| 664 |
+ |
|
| 665 |
+ |
void RigidBody::getAtomRefCoor(double pos[3], int index){ |
| 666 |
+ |
vec3 ref; |
| 667 |
+ |
|
| 668 |
+ |
ref = refCoords[index]; |
| 669 |
+ |
pos[0] = ref[0]; |
| 670 |
+ |
pos[1] = ref[1]; |
| 671 |
+ |
pos[2] = ref[2]; |
| 672 |
+ |
|
| 673 |
+ |
} |
