Chemical Data Processing Library C++ API - Version 1.1.1
CDPL::ConfGen::ConformerData Member List

This is the complete list of members for CDPL::ConfGen::ConformerData, including all inherited members.

ConformerData()CDPL::ConfGen::ConformerDatainline
ConformerData(const Math::Vector3DArray &coords, double energy=0.0)CDPL::ConfGen::ConformerDatainline
getEnergy() constCDPL::ConfGen::ConformerDatainline
setEnergy(double energy)CDPL::ConfGen::ConformerDatainline
SharedPointer typedefCDPL::ConfGen::ConformerData
swap(ConformerData &data)CDPL::ConfGen::ConformerDatainline