Chemical Data Processing Library C++ API - Version 1.1.1
Public Types | Public Member Functions | List of all members
CDPL::ConfGen::ConformerData Class Reference

#include <ConformerData.hpp>

+ Inheritance diagram for CDPL::ConfGen::ConformerData:

Public Types

typedef std::shared_ptr< ConformerDataSharedPointer
 

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

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

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