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root/OpenMD/branches/development/src/lattice/shapedLattice.hpp
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Comparing trunk/src/lattice/shapedLattice.hpp (file contents):
Revision 905 by chuckv, Fri Mar 17 16:11:30 2006 UTC vs.
Revision 1074 by gezelter, Tue Oct 17 15:24:29 2006 UTC

# Line 42 | Line 42
42   *
43   *  Created by Charles F. Vardeman II on 17 Feb 2006.
44   *  @author  Charles F. Vardeman II
45 < *  @version $Id: shapedLattice.hpp,v 1.1 2006-03-17 16:10:19 chuckv Exp $
45 > *  @version $Id: shapedLattice.hpp,v 1.6 2006-10-17 15:24:29 gezelter Exp $
46   *
47   */
48  
49 < #ifndef NANOPARTICLEBUILDER_SHAPEDLATTICE_HPP
50 < #define NANOPARTICLEBUILDER_SHAPEDLATTICE_HPP
49 > #ifndef LATTICE_SHAPEDLATTICE_HPP
50 > #define LATTICE_SHAPEDLATTICE_HPP
51  
52   #include "math/Vector3.hpp"
53   #include "lattice/LatticeFactory.hpp"
# Line 63 | Line 63 | namespace oopse{
63    
64    class shapedLattice{
65    public:
66 <    shapedLattice(double latticeConstant,std::string latticeType);
67 <    ~shapedLattice(){};
66 >    shapedLattice(RealType latticeConstant, std::string latticeType);
67 >    virtual ~shapedLattice(){};
68      /**
69 <      * setGridDimension:  
69 >     * setGridDimension:  
70       *
71       */
72      void setGridDimension(Vector3d dimension);
73 <    void setGridDimension(Vector3d dimension, Vector3d origin);
74 <        virtual bool isInterior(Vector3d point) =0;
75 <        std::vector<Vector3d> getPoints();
73 >    void setOrigin(Vector3d origin);
74 >    virtual bool isInterior(Vector3d point) =0;
75 >    std::vector<Vector3d> getSites();
76 >    std::vector<Vector3d> getOrientations();
77 >  protected:
78 >    void findSites();
79 >    Vector3d dimension_;
80 >    Vector3d origin_;  
81    private:
82 <    std::vector<Vector3d> coords_;
82 >    bool sitesComputed_;
83 >    std::vector<Vector3d> sites_;
84 >    std::vector<Vector3d> orientations_;
85      Lattice *simpleLattice_;
86 <    double latticeConstant_;
86 >    RealType latticeConstant_;
87      std::string latticeType_;
81 –    Vector3d dimension_;
82 –    Vector3d origin_;
88      int beginNx_;
89      int beginNy_;
90      int beginNz_;
# Line 89 | Line 94 | namespace oopse{
94      
95    };
96   }
97 < #endif /* NANOPARTICLEBUILDER_SHAPEDLATTICE_HPP */
97 > #endif /* LATTICE_SHAPEDLATTICE_HPP */

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