| 6 |
|
|
| 7 |
|
RigidBody::RigidBody() : StuntDouble() { |
| 8 |
|
objType = OT_RIGIDBODY; |
| 9 |
+ |
is_linear = false; |
| 10 |
+ |
linear_axis = -1; |
| 11 |
|
} |
| 12 |
|
|
| 13 |
|
RigidBody::~RigidBody() { |
| 263 |
|
|
| 264 |
|
void RigidBody::calcRefCoords( ) { |
| 265 |
|
|
| 266 |
< |
int i,j,k, it; |
| 266 |
> |
int i,j,k, it, n_linear_coords; |
| 267 |
|
double mtmp; |
| 268 |
|
vec3 apos; |
| 269 |
|
double refCOM[3]; |
| 330 |
|
|
| 331 |
|
// zero out I and then fill the diagonals with the moments of inertia: |
| 332 |
|
|
| 333 |
+ |
n_linear_coords = 0; |
| 334 |
+ |
|
| 335 |
|
for (i = 0; i < 3; i++) { |
| 336 |
|
for (j = 0; j < 3; j++) { |
| 337 |
|
I[i][j] = 0.0; |
| 338 |
|
} |
| 339 |
|
I[i][i] = evals[i]; |
| 340 |
+ |
|
| 341 |
+ |
if (fabs(evals[i]) < momIntTol) { |
| 342 |
+ |
is_linear = true; |
| 343 |
+ |
n_linear_coords++; |
| 344 |
+ |
linear_axis = i; |
| 345 |
+ |
} |
| 346 |
+ |
} |
| 347 |
+ |
|
| 348 |
+ |
if (n_linear_coords > 1) { |
| 349 |
+ |
sprintf( painCave.errMsg, |
| 350 |
+ |
"RigidBody error.\n" |
| 351 |
+ |
"\tOOPSE found more than one axis in this rigid body with a vanishing \n" |
| 352 |
+ |
"\tmoment of inertia. This can happen in one of three ways:\n" |
| 353 |
+ |
"\t 1) Only one atom was specified, or \n" |
| 354 |
+ |
"\t 2) All atoms were specified at the same location, or\n" |
| 355 |
+ |
"\t 3) The programmers did something stupid.\n" |
| 356 |
+ |
"\tIt is silly to use a rigid body to describe this situation. Be smarter.\n" |
| 357 |
+ |
); |
| 358 |
+ |
painCave.isFatal = 1; |
| 359 |
+ |
simError(); |
| 360 |
|
} |
| 361 |
|
|
| 362 |
|
// renormalize column vectors: |
| 625 |
|
} |
| 626 |
|
|
| 627 |
|
} |
| 628 |
+ |
|
| 629 |
+ |
void RigidBody::accept(BaseVisitor* v){ |
| 630 |
+ |
vector<Atom*>::iterator atomIter; |
| 631 |
+ |
v->visit(this); |
| 632 |
+ |
|
| 633 |
+ |
for(atomIter = myAtoms.begin(); atomIter != myAtoms.end(); ++atomIter) |
| 634 |
+ |
(*atomIter)->accept(v); |
| 635 |
+ |
} |
