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:	1447
Committed:	Fri Jul 30 21:01:35 2004 UTC (21 years, 3 months ago) by gezelter
File size:	1247 byte(s)
Log Message:	Initial import of OOPSE sources into cvs tree
#	User	Rev	Content
1	gezelter	1447	#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