--- trunk/OOPSE-4/src/lattice/shapedLattice.hpp 2006/03/17 16:11:30 2633 +++ trunk/OOPSE-4/src/lattice/shapedLattice.hpp 2006/10/14 20:21:26 3046 @@ -42,12 +42,12 @@ * * Created by Charles F. Vardeman II on 17 Feb 2006. * @author Charles F. Vardeman II - * @version $Id: shapedLattice.hpp,v 1.1 2006-03-17 16:10:19 chuckv Exp $ + * @version $Id: shapedLattice.hpp,v 1.5 2006-10-14 20:21:26 gezelter Exp $ * */ -#ifndef NANOPARTICLEBUILDER_SHAPEDLATTICE_HPP -#define NANOPARTICLEBUILDER_SHAPEDLATTICE_HPP +#ifndef LATTICE_SHAPEDLATTICE_HPP +#define LATTICE_SHAPEDLATTICE_HPP #include "math/Vector3.hpp" #include "lattice/LatticeFactory.hpp" @@ -63,23 +63,27 @@ namespace oopse{ class shapedLattice{ public: - shapedLattice(double latticeConstant,std::string latticeType); - ~shapedLattice(){}; + shapedLattice(RealType latticeConstant, std::string latticeType); + virtual ~shapedLattice(){}; /** - * setGridDimension: + * setGridDimension: * */ void setGridDimension(Vector3d dimension); - void setGridDimension(Vector3d dimension, Vector3d origin); - virtual bool isInterior(Vector3d point) =0; - std::vector getPoints(); + virtual bool isInterior(Vector3d point) =0; + std::vector getSites(); + std::vector getOrientations(); + protected: + void findSites(); + Vector3d dimension_; + //Vector3d origin_; private: - std::vector coords_; + bool sitesComputed_; + std::vector sites_; + std::vector orientations_; Lattice *simpleLattice_; - double latticeConstant_; + RealType latticeConstant_; std::string latticeType_; - Vector3d dimension_; - Vector3d origin_; int beginNx_; int beginNy_; int beginNz_; @@ -89,4 +93,4 @@ namespace oopse{ }; } -#endif /* NANOPARTICLEBUILDER_SHAPEDLATTICE_HPP */ +#endif /* LATTICE_SHAPEDLATTICE_HPP */