Chemical Data Processing Library C++ API - Version 1.1.1
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This is the complete list of members for CDPL::ConfGen::ConformerData, including all inherited members.
ConformerData() | CDPL::ConfGen::ConformerData | inline |
ConformerData(const Math::Vector3DArray &coords, double energy=0.0) | CDPL::ConfGen::ConformerData | inline |
getEnergy() const | CDPL::ConfGen::ConformerData | inline |
setEnergy(double energy) | CDPL::ConfGen::ConformerData | inline |
SharedPointer typedef | CDPL::ConfGen::ConformerData | |
swap(ConformerData &data) | CDPL::ConfGen::ConformerData | inline |