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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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class MoleculeStamp{ |
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MoleculeStamp(); |
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~MoleculeStamp(); |
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bool isBondInSameRigidBody(BondStamp*bond); |
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bool isAtomInRigidBody(int atomIndex); |
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bool isAtomInRigidBody(int atomIndex, int& whichRigidBody, int& consAtomIndex); |
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std::vector<std::pair<int, int> > getJointAtoms(int rb1, int rb2); |
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std::vector<std::pair<int, int> > getJointAtoms(int rb1, int rb2); |
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int haveExtras( void ) { return have_extras; } |
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LinkedAssign* getUnhandled( void ) { return unhandled; } |
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static char errMsg[500]; |
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char name[100]; |