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root/group/trunk/OOPSE-1.0/libBASS/MoleculeStamp.cpp
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Comparing trunk/OOPSE-1.0/libBASS/MoleculeStamp.cpp (file contents):
Revision 1430 by gezelter, Fri Jul 16 18:58:03 2004 UTC vs.
Revision 1431 by tim, Wed Jul 28 21:46:27 2004 UTC

# Line 476 | Line 476 | bool MoleculeStamp::isBondInSameRigidBody(BondStamp* b
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
# Line 488 | Line 497 | bool MoleculeStamp::isAtomInRigidBody(int atomIndex, i
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++){

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