src/types/ShapeAtomType.hpp

/**
 * @file ShapeAtomType.hpp
 * @author Dan Gezelter
 * @date 10/18/2004
 * @version 1.0
 */

#ifndef TYPES_SHAPEATOMTYPE_HPP
#define TYPES_SHAPEATOMTYPE_HPP

#include <vector>
#include "math/RealSphericalHarmonic.hpp"
#include "math/SquareMatrix3.hpp"
#include "types/DirectionalAtomType.hpp"

namespace oopse {
  
  
  class ShapeAtomType : public DirectionalAtomType {
    
  public: 
    
    ShapeAtomType() : DirectionalAtomType() { atp.is_Shape = 1; }
    ~ShapeAtomType();
        
     std::vector<RealSphericalHarmonic*> getContactFuncs(void) {return contactFuncs;}
     std::vector<RealSphericalHarmonic*> getRangeFuncs(void) {return rangeFuncs;}
     std::vector<RealSphericalHarmonic*> getStrengthFuncs(void) {return strengthFuncs;}
    
    void setContactFuncs(std::vector<RealSphericalHarmonic*> cf) {
      contactFuncs = cf;
    }
    void setRangeFuncs(std::vector<RealSphericalHarmonic*> rf) {
      rangeFuncs = rf;
    }
    void setStrengthFuncs(std::vector<RealSphericalHarmonic*> sf) {
      strengthFuncs = sf;
    }
    
    /**
     * Gets the value of the contact function at a particular orientation
     * @param costheta
     * @param phi
     */
    double getContactValueAt(double costheta, double phi);
    
    /**
     * Gets the value of the range function at a particular orientation
     * @param costheta
     * @param phi
     */
    double getRangeValueAt(double costheta, double phi);
    
    /**
     * Gets the value of the strength function at a particular orientation
     * @param costheta
     * @param phi
     */
    double getStrengthValueAt(double costheta, double phi);
    
  private:
    
     std::vector<RealSphericalHarmonic*> contactFuncs;  // The contact functions
     std::vector<RealSphericalHarmonic*> rangeFuncs;    // The range functions
     std::vector<RealSphericalHarmonic*> strengthFuncs; // The strength functions
    
  }; 
}
#endif

Revision:	1832
Committed:	Thu Dec 2 16:04:19 2004 UTC (19 years, 9 months ago) by tim
File size:	1912 byte(s)
Log Message:	still have two linking problem
#	User	Rev	Content
1	gezelter	1652	/**
2			* @file ShapeAtomType.hpp
3			* @author Dan Gezelter
4			* @date 10/18/2004
5			* @version 1.0
6			*/
7
8			#ifndef TYPES_SHAPEATOMTYPE_HPP
9			#define TYPES_SHAPEATOMTYPE_HPP
10
11			#include <vector>
12			#include "math/RealSphericalHarmonic.hpp"
13			#include "math/SquareMatrix3.hpp"
14			#include "types/DirectionalAtomType.hpp"
15
16			namespace oopse {
17
18	tim	1824
19	gezelter	1652	class ShapeAtomType : public DirectionalAtomType {
20
21			public:
22
23			ShapeAtomType() : DirectionalAtomType() { atp.is_Shape = 1; }
24			~ShapeAtomType();
25
26	tim	1826	std::vector<RealSphericalHarmonic*> getContactFuncs(void) {return contactFuncs;}
27			std::vector<RealSphericalHarmonic*> getRangeFuncs(void) {return rangeFuncs;}
28			std::vector<RealSphericalHarmonic*> getStrengthFuncs(void) {return strengthFuncs;}
29	gezelter	1652
30	tim	1832	void setContactFuncs(std::vector<RealSphericalHarmonic*> cf) {
31	gezelter	1652	contactFuncs = cf;
32			}
33	tim	1832	void setRangeFuncs(std::vector<RealSphericalHarmonic*> rf) {
34	gezelter	1652	rangeFuncs = rf;
35			}
36	tim	1832	void setStrengthFuncs(std::vector<RealSphericalHarmonic*> sf) {
37	gezelter	1652	strengthFuncs = sf;
38			}
39
40			/**
41			* Gets the value of the contact function at a particular orientation
42			* @param costheta
43			* @param phi
44			*/
45			double getContactValueAt(double costheta, double phi);
46
47			/**
48			* Gets the value of the range function at a particular orientation
49			* @param costheta
50			* @param phi
51			*/
52			double getRangeValueAt(double costheta, double phi);
53
54			/**
55			* Gets the value of the strength function at a particular orientation
56			* @param costheta
57			* @param phi
58			*/
59			double getStrengthValueAt(double costheta, double phi);
60
61			private:
62
63	tim	1826	std::vector<RealSphericalHarmonic*> contactFuncs; // The contact functions
64			std::vector<RealSphericalHarmonic*> rangeFuncs; // The range functions
65			std::vector<RealSphericalHarmonic*> strengthFuncs; // The strength functions
66	gezelter	1652
67			};
68			}
69			#endif
70