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* |
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* Created by Charles F. Vardeman II on 17 Feb 2006. |
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* @author Charles F. Vardeman II |
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* @version $Id: shapedLattice.hpp,v 1.1 2006-03-17 16:10:19 chuckv Exp $ |
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* @version $Id: shapedLattice.hpp,v 1.5 2006-10-14 20:21:26 gezelter Exp $ |
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* |
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*/ |
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#ifndef NANOPARTICLEBUILDER_SHAPEDLATTICE_HPP |
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#define NANOPARTICLEBUILDER_SHAPEDLATTICE_HPP |
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#ifndef LATTICE_SHAPEDLATTICE_HPP |
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#define LATTICE_SHAPEDLATTICE_HPP |
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#include "math/Vector3.hpp" |
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#include "lattice/LatticeFactory.hpp" |
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class shapedLattice{ |
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public: |
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shapedLattice(double latticeConstant,std::string latticeType); |
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~shapedLattice(){}; |
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shapedLattice(RealType latticeConstant, std::string latticeType); |
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virtual ~shapedLattice(){}; |
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/** |
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* setGridDimension: |
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* setGridDimension: |
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* |
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*/ |
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void setGridDimension(Vector3d dimension); |
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void setGridDimension(Vector3d dimension, Vector3d origin); |
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virtual bool isInterior(Vector3d point) =0; |
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std::vector<Vector3d> getPoints(); |
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virtual bool isInterior(Vector3d point) =0; |
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std::vector<Vector3d> getSites(); |
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std::vector<Vector3d> getOrientations(); |
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protected: |
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void findSites(); |
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Vector3d dimension_; |
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//Vector3d origin_; |
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private: |
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std::vector<Vector3d> coords_; |
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bool sitesComputed_; |
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std::vector<Vector3d> sites_; |
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std::vector<Vector3d> orientations_; |
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Lattice *simpleLattice_; |
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double latticeConstant_; |
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RealType latticeConstant_; |
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std::string latticeType_; |
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Vector3d dimension_; |
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Vector3d origin_; |
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int beginNx_; |
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int beginNy_; |
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int beginNz_; |
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}; |
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} |
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#endif /* NANOPARTICLEBUILDER_SHAPEDLATTICE_HPP */ |
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#endif /* LATTICE_SHAPEDLATTICE_HPP */ |
