CDPL::ConfGen::ConformerData Class Reference

#include <ConformerData.hpp>

Inheritance diagram for CDPL::ConfGen::ConformerData:

Public Types
typedef std::shared_ptr< ConformerData >	SharedPointer

Public Member Functions
	ConformerData ()
	ConformerData (const Math::Vector3DArray &coords, double energy=0.0)
void	setEnergy (double energy)
double	getEnergy () const
void	swap (ConformerData &data)

Member Typedef Documentation

SharedPointer

typedef std::shared_ptr<ConformerData> CDPL::ConfGen::ConformerData::SharedPointer

Constructor & Destructor Documentation

ConformerData() [1/2]

CDPL::ConfGen::ConformerData::ConformerData ( )

inline

ConformerData() [2/2]

CDPL::ConfGen::ConformerData::ConformerData ( const Math::Vector3DArray &  coords, double  energy = 0.0  )

inline

Member Function Documentation

setEnergy()

void CDPL::ConfGen::ConformerData::setEnergy ( double  energy )

inline

getEnergy()

double CDPL::ConfGen::ConformerData::getEnergy ( ) const

inline

swap()

void CDPL::ConfGen::ConformerData::swap ( ConformerData &  data )

inline

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

• ConformerData.hpp