Chemical Data Processing Library C++ API - Version 1.1.1
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#include <ConformerData.hpp>
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typedef std::shared_ptr< ConformerData > | SharedPointer |
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ConformerData () | |
ConformerData (const Math::Vector3DArray &coords, double energy=0.0) | |
void | setEnergy (double energy) |
double | getEnergy () const |
void | swap (ConformerData &data) |
typedef std::shared_ptr<ConformerData> CDPL::ConfGen::ConformerData::SharedPointer |
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