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
#	User	Rev	Content
1	tim	1423	#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	tim	1427	//get lattice constant of unit cell
16			vector<double> getLatticeConstant();
17	tim	1423
18	tim	1427	//set lattice constant of unit cell
19			void setLatticeConstant(const vector<double>& lc);
20			protected:
21			double latticeParam;
22	tim	1423	};
23
24
25			class FCCLattice : public CubicLattice{
26			public:
27			FCCLattice();
28	tim	1427	virtual const string getLatticeType() {return FCCLatticeType;}
29			virtual void update();
30
31	tim	1423	};
32
33	tim	1427	/*
34	tim	1423	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	tim	1427	*/
53	tim	1423
54
55			#endif