applications/simpleBuilder/Lattice.hpp

#ifndef APPLICATIONS_SIMPLEBUILDER_LATTICE_HPP
#define APPLICATIONS_SIMPLEBUILDER_LATTICE_HPP
#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:	1910
Committed:	Fri Jan 7 21:50:13 2005 UTC (19 years, 7 months ago) by tim
File size:	919 byte(s)
Log Message:	ZConstraintForceManager in progress
#	Content
1	#ifndef APPLICATIONS_SIMPLEBUILDER_LATTICE_HPP
2	#define APPLICATIONS_SIMPLEBUILDER_LATTICE_HPP
3	#include "applications/simpleBuilder/BaseLattice.hpp"
4	#include <string>
5	#include <vector>
6
7	namespace oopse {
8
9	const std::string FCCLatticeType = "FCC";
10	const std::string BCCLatticeType = "BCC";
11	const std::string HCPCLatticeType = "HCP";
12	const std::string OrthorhombicLatticeType = "ORTHORHOMBIC";
13
14
15	class CubicLattice : public BaseLattice{
16	protected:
17	CubicLattice();
18	public:
19	//get lattice constant of unit cell
20	virtual std::vector<double> getLatticeConstant();
21
22	//set lattice constant of unit cell
23	virtual void setLatticeConstant(const std::vector<double>& lc);
24	protected:
25	double latticeParam;
26	};
27
28
29	class FCCLattice : public CubicLattice{
30	public:
31	FCCLattice();
32	virtual const std::string getLatticeType() {return FCCLatticeType;}
33	virtual void update();
34
35	};
36
37	}
38	#endif