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#ifndef __MOLOCATOR_H__ |
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#define __MOLOCATOR_H__ |
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#include <vector> |
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#include "Atom.hpp" |
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#include "DirectionalAtom.hpp" |
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#include "MoleculeStamp.hpp" |
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#include "Molecule.hpp" |
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#include "Vector3d.hpp" |
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#include "ForceFields.hpp" |
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using namespace std; |
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class MoLocator{ |
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public: |
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MoLocator( MoleculeStamp* theStamp, ForceFields* theFF); |
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void placeMol( const Vector3d& offset, const Vector3d& ort, Molecule* mol); |
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private: |
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void calcRefCoords( void ); |
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MoleculeStamp* myStamp; |
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ForceFields* myFF; |
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vector<Vector3d> refCoords; |
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int nIntegrableObjects; |
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}; |
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#endif |