| 48 |
|
A[2][1] = -cos(phi) * sin(theta); |
| 49 |
|
A[2][2] = cos(theta); |
| 50 |
|
|
| 51 |
+ |
printf("A[2][x] = %lf\t%lf\t%lf\n", A[2][0], A[2][1], A[2][2]); |
| 52 |
+ |
|
| 53 |
|
} |
| 54 |
|
|
| 55 |
|
void RigidBody::getQ( double q[4] ){ |
| 323 |
|
//calculate the proper rotation matrix |
| 324 |
|
transposeMat3(pAxisMat, pAxisRotMat); |
| 325 |
|
|
| 326 |
+ |
|
| 327 |
|
for (i=0; i<myAtoms.size(); i++){ |
| 328 |
< |
getAtomPos(test, i); |
| 329 |
< |
printf("%d\t%d\t%d\n",test[0],test[1],test[2]); |
| 328 |
> |
apos = refCoords[i]; |
| 329 |
> |
printf("%f\t%f\t%f\n",apos[0],apos[1],apos[2]); |
| 330 |
|
} |
| 331 |
|
|
| 332 |
|
//rotate the rigid body to the principle axis frame |
| 336 |
|
} |
| 337 |
|
|
| 338 |
|
for (i=0; i<myAtoms.size(); i++){ |
| 339 |
< |
getAtomPos(test,i); |
| 340 |
< |
printf("%d\t%d\t%d\n",test[0],test[1],test[2]); |
| 339 |
> |
apos = refCoords[i]; |
| 340 |
> |
printf("%f\t%f\t%f\n",apos[0],apos[1],apos[2]); |
| 341 |
|
} |
| 342 |
|
|
| 343 |
|
identityMat3(iMat); |