OpenMD::ShapeAtomType Class Reference

Public Member Functions
std::vector< RealSphericalHarmonic * >	getContactFuncs (void)
std::vector< RealSphericalHarmonic * >	getRangeFuncs (void)
std::vector< RealSphericalHarmonic * >	getStrengthFuncs (void)
void	setContactFuncs (std::vector< RealSphericalHarmonic * > cf)
void	setRangeFuncs (std::vector< RealSphericalHarmonic * > rf)
void	setStrengthFuncs (std::vector< RealSphericalHarmonic * > sf)
RealType	getContactValueAt (RealType costheta, RealType phi)
	Gets the value of the contact function at a particular orientation.
RealType	getRangeValueAt (RealType costheta, RealType phi)
	Gets the value of the range function at a particular orientation.
RealType	getStrengthValueAt (RealType costheta, RealType phi)
	Gets the value of the strength function at a particular orientation.

Detailed Description

Definition at line 63 of file ShapeAtomType.hpp.

Constructor & Destructor Documentation

ShapeAtomType()

OpenMD::ShapeAtomType::ShapeAtomType ( )

inline

Definition at line 65 of file ShapeAtomType.hpp.

~ShapeAtomType()

OpenMD::ShapeAtomType::~ShapeAtomType

(

)

Definition at line 49 of file ShapeAtomType.cpp.

Member Function Documentation

getContactFuncs()

std::vector< RealSphericalHarmonic * > OpenMD::ShapeAtomType::getContactFuncs ( void )

inline

Definition at line 68 of file ShapeAtomType.hpp.

getContactValueAt()

RealType OpenMD::ShapeAtomType::getContactValueAt	(	RealType	costheta,
		RealType	phi )

Gets the value of the contact function at a particular orientation.

Parameters

costheta
phi

Definition at line 62 of file ShapeAtomType.cpp.

getRangeFuncs()

std::vector< RealSphericalHarmonic * > OpenMD::ShapeAtomType::getRangeFuncs ( void )

inline

Definition at line 71 of file ShapeAtomType.hpp.

getRangeValueAt()

RealType OpenMD::ShapeAtomType::getRangeValueAt	(	RealType	costheta,
		RealType	phi )

Gets the value of the range function at a particular orientation.

Parameters

costheta
phi

Definition at line 75 of file ShapeAtomType.cpp.

getStrengthFuncs()

std::vector< RealSphericalHarmonic * > OpenMD::ShapeAtomType::getStrengthFuncs ( void )

inline

Definition at line 74 of file ShapeAtomType.hpp.

getStrengthValueAt()

RealType OpenMD::ShapeAtomType::getStrengthValueAt	(	RealType	costheta,
		RealType	phi )

Gets the value of the strength function at a particular orientation.

Parameters

costheta
phi

Definition at line 88 of file ShapeAtomType.cpp.

setContactFuncs()

void OpenMD::ShapeAtomType::setContactFuncs ( std::vector< RealSphericalHarmonic * > cf )

inline

Definition at line 78 of file ShapeAtomType.hpp.

setRangeFuncs()

void OpenMD::ShapeAtomType::setRangeFuncs ( std::vector< RealSphericalHarmonic * > rf )

inline

Definition at line 81 of file ShapeAtomType.hpp.

setStrengthFuncs()

void OpenMD::ShapeAtomType::setStrengthFuncs ( std::vector< RealSphericalHarmonic * > sf )

inline

Definition at line 84 of file ShapeAtomType.hpp.

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

• types/ShapeAtomType.hpp
• types/ShapeAtomType.cpp