utils/sysbuilder/Lattice.hpp

#ifndef _LATTICE_H_
#define _LATTICE_H_
#include "BaseLattice.hpp"
#include <string>
#include <vector>
using namespace std;

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
    virtual vector<double> getLatticeConstant();

    //set lattice constant of unit cell
    virtual 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:	1429
Committed:	Wed Jul 28 20:29:49 2004 UTC (19 years, 11 months ago) by tim
File size:	1247 byte(s)
Log Message:	simpleBuilder in progress
#	Content
1	#ifndef _LATTICE_H_
2	#define _LATTICE_H_
3	#include "BaseLattice.hpp"
4	#include <string>
5	#include <vector>
6	using namespace std;
7
8	const string FCCLatticeType = "FCC";
9	const string BCCLatticeType = "BCC";
10	const string HCPCLatticeType = "HCP";
11	const string OrthorhombicLatticeType = "ORTHORHOMBIC";
12
13
14	class CubicLattice : public BaseLattice{
15	protected:
16	CubicLattice();
17	public:
18	//get lattice constant of unit cell
19	virtual vector<double> getLatticeConstant();
20
21	//set lattice constant of unit cell
22	virtual void setLatticeConstant(const vector<double>& lc);
23	protected:
24	double latticeParam;
25	};
26
27
28	class FCCLattice : public CubicLattice{
29	public:
30	FCCLattice();
31	virtual const string getLatticeType() {return FCCLatticeType;}
32	virtual void update();
33
34	};
35
36	/*
37	class BCCLattice : public CubicLattice{
38	public:
39	BCCLattice();
40	virtual const string getLatticeType() {return BCCLatticeType;}
41	};
42
43
44	class HCPLattice : public BaseLattice{
45	public:
46	HCPLattice();
47	virtual const string getLatticeType() {return HCPCLatticeType;}
48	};
49
50	class OrthorhombicLattice : public BaseLattice{
51	public:
52	OrthorhombicLattice();
53	virtual const string getLatticeType() {return OrthorhombicLatticeType;}
54	};
55	*/
56
57
58	#endif