src/types/DirectionalAtomType.hpp

#ifndef TYPES_DIRECTIONALATOMTYPE_HPP
#define TYPES_DIRECTIONALATOMTYPE_HPP

#include "types/AtomType.hpp"
#include "math/SquareMatrix3.hpp"

namespace oopse {
  /**
   * @class DirectionalAtomType 
   *
   * DirectionalAtomType is what OOPSE looks to for unchanging data
   * about a directional atoms. 
   */
  class DirectionalAtomType : public AtomType {
    
  public:
    
    DirectionalAtomType() : AtomType() { atp.is_Directional = 1; }
    ~DirectionalAtomType();

    /**
     * Finishes off the DirectionalAtomType by communicating the
     * logical portions of the structure to the Fortran atype module
     */
    void    complete();
        
    Mat3x3d getI() {return I;}
    void    setI(Mat3x3d theI) {I = theI;}

    void    setDipole() { atp.is_Dipole = 1; atp.is_Electrostatic = 1; }
    bool    isDipole()  { return atp.is_Dipole; }

    void    setGayBerne() { atp.is_GayBerne = 1; }
    bool    isGayBerne()  { return atp.is_GayBerne; }

    void    setSticky() { atp.is_Sticky = 1; }
    bool    isSticky()  { return atp.is_Sticky; }

    void    setShape() { atp.is_Shape = 1;}
    bool    isShape()  { return atp.is_Shape; }
                
  private:
    
    Mat3x3d I;
    
  };
}
#endif
Revision:	1634
Committed:	Fri Oct 22 21:21:02 2004 UTC (19 years, 8 months ago) by gezelter
File size:	1220 byte(s)
Log Message:	fixey fixey
#	User	Rev	Content
1	gezelter	1632	#ifndef TYPES_DIRECTIONALATOMTYPE_HPP
2			#define TYPES_DIRECTIONALATOMTYPE_HPP
3
4			#include "types/AtomType.hpp"
5			#include "math/SquareMatrix3.hpp"
6
7			namespace oopse {
8			/**
9			* @class DirectionalAtomType
10			*
11			* DirectionalAtomType is what OOPSE looks to for unchanging data
12			* about a directional atoms.
13			*/
14			class DirectionalAtomType : public AtomType {
15
16			public:
17
18			DirectionalAtomType() : AtomType() { atp.is_Directional = 1; }
19			~DirectionalAtomType();
20
21			/**
22			* Finishes off the DirectionalAtomType by communicating the
23			* logical portions of the structure to the Fortran atype module
24			*/
25			void complete();
26
27	gezelter	1634	Mat3x3d getI() {return I;}
28			void setI(Mat3x3d theI) {I = theI;}
29	gezelter	1632
30	gezelter	1634	void setDipole() { atp.is_Dipole = 1; atp.is_Electrostatic = 1; }
31			bool isDipole() { return atp.is_Dipole; }
32	gezelter	1632
33	gezelter	1634	void setGayBerne() { atp.is_GayBerne = 1; }
34			bool isGayBerne() { return atp.is_GayBerne; }
35	gezelter	1632
36	gezelter	1634	void setSticky() { atp.is_Sticky = 1; }
37			bool isSticky() { return atp.is_Sticky; }
38
39			void setShape() { atp.is_Shape = 1;}
40			bool isShape() { return atp.is_Shape; }
41	gezelter	1632
42			private:
43
44	gezelter	1634	Mat3x3d I;
45	gezelter	1632
46			};
47			}
48			#endif