applications/simpleBuilder/Lattice.hpp

#ifndef _LATTICE_H_
#define _LATTICE_H_
#include "applications/simpleBuilder/BaseLattice.hpp"
#include <string>
#include <vector>

namespace oopse {

const  std::string FCCLatticeType = "FCC";
const  std::string BCCLatticeType = "BCC";
const  std::string HCPCLatticeType = "HCP";
const  std::string OrthorhombicLatticeType = "ORTHORHOMBIC";


class CubicLattice : public BaseLattice{
  protected:
    CubicLattice();
  public:
    //get lattice constant of unit cell
    virtual  std::vector<double> getLatticeConstant();

    //set lattice constant of unit cell
    virtual void setLatticeConstant(const  std::vector<double>& lc);
  protected:
    double latticeParam;
};


class FCCLattice : public CubicLattice{
  public:
    FCCLattice();
    virtual const  std::string getLatticeType() {return FCCLatticeType;}    
    virtual void update();
    
};

}
#endif
Revision:	1891
Committed:	Wed Dec 15 22:34:41 2004 UTC (19 years, 6 months ago) by tim
File size:	865 byte(s)
Log Message:	fix a bug in basic_ifstrstream
#	User	Rev	Content
1	tim	1501	#ifndef _LATTICE_H_
2			#define _LATTICE_H_
3			#include "applications/simpleBuilder/BaseLattice.hpp"
4			#include <string>
5			#include <vector>
6
7	tim	1891	namespace oopse {
8	tim	1824
9	tim	1829	const std::string FCCLatticeType = "FCC";
10			const std::string BCCLatticeType = "BCC";
11			const std::string HCPCLatticeType = "HCP";
12			const std::string OrthorhombicLatticeType = "ORTHORHOMBIC";
13	tim	1501
14
15			class CubicLattice : public BaseLattice{
16			protected:
17			CubicLattice();
18			public:
19			//get lattice constant of unit cell
20	tim	1826	virtual std::vector<double> getLatticeConstant();
21	tim	1501
22			//set lattice constant of unit cell
23	tim	1826	virtual void setLatticeConstant(const std::vector<double>& lc);
24	tim	1501	protected:
25			double latticeParam;
26			};
27
28
29			class FCCLattice : public CubicLattice{
30			public:
31			FCCLattice();
32	tim	1829	virtual const std::string getLatticeType() {return FCCLatticeType;}
33	tim	1501	virtual void update();
34
35			};
36
37	tim	1891	}
38	tim	1501	#endif