OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::RealSphericalHarmonic Class Reference

#include <RealSphericalHarmonic.hpp>

Public Member Functions

 RealSphericalHarmonic ()
 
virtual ~RealSphericalHarmonic ()
 
void setL (int theL)
 
int getL ()
 
void setM (int theM)
 
int getM ()
 
void setCoefficient (RealType co)
 
RealType getCoefficient ()
 
void setFunctionType (short int theType)
 
short int getFunctionType ()
 
void makeSinFunction ()
 
void makeCosFunction ()
 
bool isSinFunction ()
 
bool isCosFunction ()
 
RealType getValueAt (RealType costheta, RealType phi)
 

Protected Member Functions

RealType LegendreP (int l, int m, RealType x)
 

Protected Attributes

int L
 
int M
 
short int functionType
 
RealType coefficient
 

Detailed Description

Definition at line 59 of file RealSphericalHarmonic.hpp.

Constructor & Destructor Documentation

◆ RealSphericalHarmonic()

RealSphericalHarmonic::RealSphericalHarmonic ( )

Definition at line 50 of file RealSphericalHarmonic.cpp.

◆ ~RealSphericalHarmonic()

virtual OpenMD::RealSphericalHarmonic::~RealSphericalHarmonic ( )
inlinevirtual

Definition at line 63 of file RealSphericalHarmonic.hpp.

Member Function Documentation

◆ getCoefficient()

RealType OpenMD::RealSphericalHarmonic::getCoefficient ( )
inline

Definition at line 72 of file RealSphericalHarmonic.hpp.

References coefficient.

◆ getFunctionType()

short int OpenMD::RealSphericalHarmonic::getFunctionType ( )
inline

Definition at line 75 of file RealSphericalHarmonic.hpp.

References functionType.

◆ getL()

int OpenMD::RealSphericalHarmonic::getL ( )
inline

Definition at line 66 of file RealSphericalHarmonic.hpp.

References L.

◆ getM()

int OpenMD::RealSphericalHarmonic::getM ( )
inline

Definition at line 69 of file RealSphericalHarmonic.hpp.

References M.

◆ getValueAt()

RealType RealSphericalHarmonic::getValueAt ( RealType  costheta,
RealType  phi 
)

Definition at line 53 of file RealSphericalHarmonic.cpp.

References coefficient, functionType, L, LegendreP(), M, and RSH_SIN.

Referenced by isCosFunction().

◆ isCosFunction()

bool OpenMD::RealSphericalHarmonic::isCosFunction ( )
inline

Definition at line 81 of file RealSphericalHarmonic.hpp.

References functionType, getValueAt(), LegendreP(), and RSH_COS.

◆ isSinFunction()

bool OpenMD::RealSphericalHarmonic::isSinFunction ( )
inline

Definition at line 80 of file RealSphericalHarmonic.hpp.

References functionType, and RSH_SIN.

◆ LegendreP()

RealType RealSphericalHarmonic::LegendreP ( int  l,
int  m,
RealType  x 
)
protected

Definition at line 85 of file RealSphericalHarmonic.cpp.

Referenced by getValueAt(), and isCosFunction().

◆ makeCosFunction()

void OpenMD::RealSphericalHarmonic::makeCosFunction ( )
inline

Definition at line 78 of file RealSphericalHarmonic.hpp.

References functionType, and RSH_COS.

Referenced by OpenMD::ShapeAtomTypesSectionParser::parseShapeFile().

◆ makeSinFunction()

void OpenMD::RealSphericalHarmonic::makeSinFunction ( )
inline

Definition at line 77 of file RealSphericalHarmonic.hpp.

References functionType, and RSH_SIN.

Referenced by OpenMD::ShapeAtomTypesSectionParser::parseShapeFile().

◆ setCoefficient()

void OpenMD::RealSphericalHarmonic::setCoefficient ( RealType  co)
inline

◆ setFunctionType()

void OpenMD::RealSphericalHarmonic::setFunctionType ( short int  theType)
inline

Definition at line 74 of file RealSphericalHarmonic.hpp.

References functionType.

◆ setL()

void OpenMD::RealSphericalHarmonic::setL ( int  theL)
inline

Definition at line 65 of file RealSphericalHarmonic.hpp.

References L.

Referenced by OpenMD::ShapeAtomTypesSectionParser::parseShapeFile().

◆ setM()

void OpenMD::RealSphericalHarmonic::setM ( int  theM)
inline

Definition at line 68 of file RealSphericalHarmonic.hpp.

References M.

Referenced by OpenMD::ShapeAtomTypesSectionParser::parseShapeFile().

Member Data Documentation

◆ coefficient

RealType OpenMD::RealSphericalHarmonic::coefficient
protected

Definition at line 92 of file RealSphericalHarmonic.hpp.

Referenced by getCoefficient(), getValueAt(), and setCoefficient().

◆ functionType

short int OpenMD::RealSphericalHarmonic::functionType
protected

◆ L

int OpenMD::RealSphericalHarmonic::L
protected

Definition at line 89 of file RealSphericalHarmonic.hpp.

Referenced by getL(), getValueAt(), and setL().

◆ M

int OpenMD::RealSphericalHarmonic::M
protected

Definition at line 90 of file RealSphericalHarmonic.hpp.

Referenced by getM(), getValueAt(), and setM().


The documentation for this class was generated from the following files: