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root/group/trunk/OOPSE-3.0/src/types/MoleculeStamp.cpp
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Comparing trunk/OOPSE-3.0/src/types/MoleculeStamp.cpp (file contents):
Revision 1930 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 2204 by gezelter, Fri Apr 15 22:04:00 2005 UTC

# Line 1 | Line 1
1 < /*
1 > /*
2   * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4   * The University of Notre Dame grants you ("Licensee") a
# Line 561 | Line 561 | bool MoleculeStamp::isAtomInRigidBody(int atomIndex, i
561   //return the position of joint atom apears in  rigidbody's definition
562   //for the time being, we will use the most inefficient algorithm, the complexity is O(N2)
563   //actually we could improve the complexity to O(NlgN) by sorting the atom index in rigid body first
564 < std::vector<std::pair<int, int> > MoleculeStamp::getJointAtoms(int rb1, int rb2){
564 > std::vector<std::pair<int, int> > MoleculeStamp::getJointAtoms(int rb1, int rb2){
565    RigidBodyStamp* rbStamp1;
566    RigidBodyStamp* rbStamp2;
567    int natomInRb1;
568    int natomInRb2;
569    int atomIndex1;
570    int atomIndex2;
571 <   std::vector<std::pair<int, int> > jointAtomIndexPair;
571 >  std::vector<std::pair<int, int> > jointAtomIndexPair;
572    
573    rbStamp1 = this->getRigidBody(rb1);
574    natomInRb1 =rbStamp1->getNMembers();

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