| 476 |
|
return false; |
| 477 |
|
} |
| 478 |
|
|
| 479 |
+ |
// Function Name: isAtomInRigidBody |
| 480 |
+ |
//return false if atom does not belong to a rigid body, otherwise return true |
| 481 |
+ |
bool MoleculeStamp::isAtomInRigidBody(int atomIndex){ |
| 482 |
+ |
int whichRigidBody; |
| 483 |
+ |
int consAtomIndex; |
| 484 |
|
|
| 485 |
< |
// Function Name isAtomInRigidBody |
| 485 |
> |
return isAtomInRigidBody(atomIndex, whichRigidBody, consAtomIndex); |
| 486 |
> |
|
| 487 |
> |
} |
| 488 |
> |
|
| 489 |
> |
// Function Name: isAtomInRigidBody |
| 490 |
|
//return false if atom does not belong to a rigid body otherwise return true and set whichRigidBody |
| 491 |
|
//and consAtomIndex |
| 492 |
|
//atomIndex : the index of atom in component |
| 497 |
|
int numRb; |
| 498 |
|
int numAtom; |
| 499 |
|
|
| 500 |
+ |
whichRigidBody = -1; |
| 501 |
+ |
consAtomIndex = -1; |
| 502 |
+ |
|
| 503 |
|
numRb = this->getNRigidBodies(); |
| 504 |
|
|
| 505 |
|
for(int i = 0 ; i < numRb; i++){ |