--- trunk/OOPSE-1.0/utils/sysbuilder/Lattice.hpp 2004/07/28 04:58:20 1423 +++ trunk/OOPSE-1.0/utils/sysbuilder/Lattice.hpp 2004/07/28 20:29:49 1429 @@ -1,6 +1,9 @@ #ifndef _LATTICE_H_ #define _LATTICE_H_ #include "BaseLattice.hpp" +#include +#include +using namespace std; const string FCCLatticeType = "FCC"; const string BCCLatticeType = "BCC"; @@ -12,18 +15,25 @@ class CubicLattice : public BaseLattice{ protected: CubicLattice(); public: + //get lattice constant of unit cell + virtual vector getLatticeConstant(); + //set lattice constant of unit cell + virtual void setLatticeConstant(const vector& lc); + protected: + double latticeParam; }; class FCCLattice : public CubicLattice{ public: FCCLattice(); - virtual const string getLatticeType() {return FCCLatticeType;} - + virtual const string getLatticeType() {return FCCLatticeType;} + virtual void update(); + }; - +/* class BCCLattice : public CubicLattice{ public: BCCLattice(); @@ -42,7 +52,7 @@ class OrthorhombicLattice : public BaseLattice{ OrthorhombicLattice(); virtual const string getLatticeType() {return OrthorhombicLatticeType;} }; +*/ - #endif