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/* |
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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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//return the position of joint atom apears in rigidbody's definition |
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//for the time being, we will use the most inefficient algorithm, the complexity is O(N2) |
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//actually we could improve the complexity to O(NlgN) by sorting the atom index in rigid body first |
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std::vector<std::pair<int, int> > MoleculeStamp::getJointAtoms(int rb1, int rb2){ |
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std::vector<std::pair<int, int> > MoleculeStamp::getJointAtoms(int rb1, int rb2){ |
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RigidBodyStamp* rbStamp1; |
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RigidBodyStamp* rbStamp2; |
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int natomInRb1; |
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int natomInRb2; |
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int atomIndex1; |
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int atomIndex2; |
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std::vector<std::pair<int, int> > jointAtomIndexPair; |
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std::vector<std::pair<int, int> > jointAtomIndexPair; |
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rbStamp1 = this->getRigidBody(rb1); |
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natomInRb1 =rbStamp1->getNMembers(); |