utils/sysbuilder/Lattice.hpp

#ifndef _LATTICE_H_
#define _LATTICE_H_
#include "BaseLattice.hpp"

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


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

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


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

/*
class BCCLattice : public CubicLattice{
  public:
    BCCLattice();
    virtual const string getLatticeType() {return BCCLatticeType;}
};


class HCPLattice : public BaseLattice{
  public:
    HCPLattice();
    virtual const string getLatticeType() {return HCPCLatticeType;}
};

class OrthorhombicLattice : public BaseLattice{
  public:
    OrthorhombicLattice();
    virtual const string getLatticeType() {return OrthorhombicLatticeType;}
};
*/


#endif
Revision:	1427
Committed:	Wed Jul 28 18:42:59 2004 UTC (19 years, 11 months ago) by tim
File size:	1174 byte(s)
Log Message:	SimpleBuilder in progress
#	Content
1	#ifndef _LATTICE_H_
2	#define _LATTICE_H_
3	#include "BaseLattice.hpp"
4
5	const string FCCLatticeType = "FCC";
6	const string BCCLatticeType = "BCC";
7	const string HCPCLatticeType = "HCP";
8	const string OrthorhombicLatticeType = "ORTHORHOMBIC";
9
10
11	class CubicLattice : public BaseLattice{
12	protected:
13	CubicLattice();
14	public:
15	//get lattice constant of unit cell
16	vector<double> getLatticeConstant();
17
18	//set lattice constant of unit cell
19	void setLatticeConstant(const vector<double>& lc);
20	protected:
21	double latticeParam;
22	};
23
24
25	class FCCLattice : public CubicLattice{
26	public:
27	FCCLattice();
28	virtual const string getLatticeType() {return FCCLatticeType;}
29	virtual void update();
30
31	};
32
33	/*
34	class BCCLattice : public CubicLattice{
35	public:
36	BCCLattice();
37	virtual const string getLatticeType() {return BCCLatticeType;}
38	};
39
40
41	class HCPLattice : public BaseLattice{
42	public:
43	HCPLattice();
44	virtual const string getLatticeType() {return HCPCLatticeType;}
45	};
46
47	class OrthorhombicLattice : public BaseLattice{
48	public:
49	OrthorhombicLattice();
50	virtual const string getLatticeType() {return OrthorhombicLatticeType;}
51	};
52	*/
53
54
55	#endif